NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25918 | 2kd1 | 16102 | 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 6.807 24.309 -7.033 2 H2 MET 1 2H MET 1 5.943 24.155 -8.475 3 H3 MET 1 3H MET 1 7.416 23.355 -8.286 4 HA MET 1 HA MET 1 6.522 21.981 -6.573 5 HB2 MET 1 2HB MET 1 3.898 23.431 -7.130 6 HB3 MET 1 1HB MET 1 4.069 22.013 -6.096 7 HG2 MET 1 2HG MET 1 3.903 23.994 -4.732 8 HG3 MET 1 1HG MET 1 5.530 23.334 -4.591 9 HE1 MET 1 3HE MET 1 4.504 27.139 -7.033 10 HE2 MET 1 1HE MET 1 3.307 26.227 -6.109 11 HE3 MET 1 2HE MET 1 4.022 25.530 -7.565 12 H GLU 2 H GLU 2 6.467 20.022 -7.515 13 HA GLU 2 HA GLU 2 5.598 19.643 -10.228 14 HB2 GLU 2 2HB GLU 2 6.213 17.238 -9.844 15 HB3 GLU 2 1HB GLU 2 7.507 18.379 -9.497 16 HG2 GLU 2 2HG GLU 2 6.888 18.185 -7.042 17 HG3 GLU 2 1HG GLU 2 5.808 16.862 -7.491 18 HA PRO 3 HA PRO 3 1.293 18.800 -9.127 19 HB2 PRO 3 2HB PRO 3 0.935 17.677 -11.856 20 HB3 PRO 3 1HB PRO 3 0.214 19.121 -11.137 21 HG2 PRO 3 2HG PRO 3 2.112 19.262 -13.079 22 HG3 PRO 3 1HG PRO 3 1.959 20.495 -11.812 23 HD2 PRO 3 2HD PRO 3 3.913 18.199 -11.996 24 HD3 PRO 3 1HD PRO 3 4.196 19.888 -11.506 25 H SER 4 H SER 4 -0.271 16.935 -9.279 26 HA SER 4 HA SER 4 0.995 14.530 -8.289 27 HB2 SER 4 2HB SER 4 -1.978 15.066 -8.705 28 HB3 SER 4 1HB SER 4 -1.234 13.902 -7.601 29 HG SER 4 HG SER 4 -0.195 15.981 -6.734 30 H LYS 5 H LYS 5 2.036 14.101 -10.398 31 HA LYS 5 HA LYS 5 0.320 13.107 -12.579 32 HB2 LYS 5 2HB LYS 5 3.345 13.529 -12.545 33 HB3 LYS 5 1HB LYS 5 2.336 13.233 -13.961 34 HG2 LYS 5 2HG LYS 5 2.318 15.717 -12.209 35 HG3 LYS 5 1HG LYS 5 3.000 15.584 -13.831 36 HD2 LYS 5 2HD LYS 5 0.046 15.311 -13.115 37 HD3 LYS 5 1HD LYS 5 0.804 16.735 -13.833 38 HE2 LYS 5 2HE LYS 5 0.556 13.990 -15.120 39 HE3 LYS 5 1HE LYS 5 -0.357 15.439 -15.548 40 HZ1 LYS 5 3HZ LYS 5 2.577 15.065 -15.842 41 HZ2 LYS 5 1HZ LYS 5 1.745 16.497 -16.183 42 HZ3 LYS 5 2HZ LYS 5 1.439 15.110 -17.088 43 H LEU 6 H LEU 6 2.745 12.184 -10.251 44 HA LEU 6 HA LEU 6 3.376 9.596 -11.163 45 HB2 LEU 6 2HB LEU 6 4.758 10.888 -9.566 46 HB3 LEU 6 1HB LEU 6 3.488 10.776 -8.360 47 HG LEU 6 HG LEU 6 3.816 8.327 -8.208 48 HD11 LEU 6 1HD1 LEU 6 6.057 8.694 -10.221 49 HD12 LEU 6 2HD1 LEU 6 4.544 7.821 -10.480 50 HD13 LEU 6 3HD1 LEU 6 5.717 7.217 -9.312 51 HD21 LEU 6 3HD2 LEU 6 6.394 9.898 -7.870 52 HD22 LEU 6 1HD2 LEU 6 6.013 8.354 -7.100 53 HD23 LEU 6 2HD2 LEU 6 5.078 9.791 -6.699 54 H SER 7 H SER 7 1.861 8.113 -11.484 55 HA SER 7 HA SER 7 -0.484 7.716 -9.889 56 HB2 SER 7 2HB SER 7 -0.258 7.023 -12.325 57 HB3 SER 7 1HB SER 7 0.831 5.734 -11.806 58 HG SER 7 HG SER 7 -0.812 4.676 -10.923 59 H TYR 8 H TYR 8 -0.831 6.043 -8.360 60 HA TYR 8 HA TYR 8 1.247 5.861 -6.481 61 HB2 TYR 8 2HB TYR 8 -1.181 5.917 -5.924 62 HB3 TYR 8 1HB TYR 8 -1.352 4.280 -6.550 63 HD1 TYR 8 HD1 TYR 8 1.172 5.904 -4.267 64 HD2 TYR 8 HD2 TYR 8 -1.736 2.806 -4.723 65 HE1 TYR 8 HE1 TYR 8 1.687 5.089 -2.012 66 HE2 TYR 8 HE2 TYR 8 -1.215 1.991 -2.463 67 HH TYR 8 HH TYR 8 0.776 2.101 -0.885 68 H GLY 9 H GLY 9 0.158 3.571 -8.928 69 HA2 GLY 9 2HA GLY 9 1.460 1.222 -7.937 70 HA3 GLY 9 1HA GLY 9 0.864 1.481 -9.575 71 H GLU 10 H GLU 10 2.346 3.768 -10.240 72 HA GLU 10 HA GLU 10 4.859 2.783 -11.093 73 HB2 GLU 10 2HB GLU 10 4.002 5.696 -10.771 74 HB3 GLU 10 1HB GLU 10 5.334 5.117 -11.770 75 HG2 GLU 10 2HG GLU 10 2.387 4.558 -12.203 76 HG3 GLU 10 1HG GLU 10 3.363 5.709 -13.112 77 H TYR 11 H TYR 11 3.815 4.800 -8.424 78 HA TYR 11 HA TYR 11 6.351 5.441 -7.355 79 HB2 TYR 11 2HB TYR 11 4.410 6.829 -6.828 80 HB3 TYR 11 1HB TYR 11 3.580 5.462 -6.083 81 HD1 TYR 11 HD1 TYR 11 6.932 7.159 -5.792 82 HD2 TYR 11 HD2 TYR 11 3.575 5.485 -3.732 83 HE1 TYR 11 HE1 TYR 11 8.005 7.644 -3.654 84 HE2 TYR 11 HE2 TYR 11 4.656 5.985 -1.591 85 HH TYR 11 HH TYR 11 6.823 6.380 -0.706 86 H LEU 12 H LEU 12 4.060 2.805 -6.740 87 HA LEU 12 HA LEU 12 5.248 1.749 -4.390 88 HB2 LEU 12 2HB LEU 12 3.436 0.507 -6.481 89 HB3 LEU 12 1HB LEU 12 3.981 -0.392 -5.070 90 HG LEU 12 HG LEU 12 2.423 2.213 -4.884 91 HD11 LEU 12 1HD1 LEU 12 0.451 0.860 -4.350 92 HD12 LEU 12 2HD1 LEU 12 1.353 -0.614 -4.715 93 HD13 LEU 12 3HD1 LEU 12 1.025 0.564 -5.990 94 HD21 LEU 12 3HD2 LEU 12 3.760 1.727 -2.895 95 HD22 LEU 12 1HD2 LEU 12 3.057 0.112 -2.786 96 HD23 LEU 12 2HD2 LEU 12 2.046 1.537 -2.546 97 H GLU 13 H GLU 13 5.805 1.171 -7.823 98 HA GLU 13 HA GLU 13 7.655 -0.966 -7.557 99 HB2 GLU 13 2HB GLU 13 7.359 1.120 -9.754 100 HB3 GLU 13 1HB GLU 13 8.366 -0.325 -9.880 101 HG2 GLU 13 2HG GLU 13 5.350 -0.259 -9.540 102 HG3 GLU 13 1HG GLU 13 6.218 -0.620 -11.030 103 H SER 14 H SER 14 8.131 2.558 -7.920 104 HA SER 14 HA SER 14 10.949 2.623 -7.804 105 HB2 SER 14 2HB SER 14 8.977 4.766 -6.884 106 HB3 SER 14 1HB SER 14 10.661 5.033 -7.354 107 HG SER 14 HG SER 14 8.415 4.657 -8.915 108 H TRP 15 H TRP 15 8.528 2.741 -5.241 109 HA TRP 15 HA TRP 15 10.223 3.173 -3.012 110 HB2 TRP 15 2HB TRP 15 7.853 3.675 -2.818 111 HB3 TRP 15 1HB TRP 15 7.403 2.039 -3.274 112 HD1 TRP 15 HD1 TRP 15 8.805 4.030 -0.290 113 HE1 TRP 15 HE1 TRP 15 8.475 2.653 1.846 114 HE3 TRP 15 HE3 TRP 15 7.074 -0.309 -2.372 115 HZ2 TRP 15 HZ2 TRP 15 7.627 0.063 2.572 116 HZ3 TRP 15 HZ3 TRP 15 6.532 -2.199 -0.889 117 HH2 TRP 15 HH2 TRP 15 6.806 -2.012 1.536 118 H PHE 16 H PHE 16 8.842 0.282 -4.531 119 HA PHE 16 HA PHE 16 9.630 -1.576 -2.564 120 HB2 PHE 16 2HB PHE 16 7.767 -2.033 -4.070 121 HB3 PHE 16 1HB PHE 16 8.829 -1.979 -5.476 122 HD1 PHE 16 HD2 PHE 16 8.379 -3.812 -2.236 123 HD2 PHE 16 HD1 PHE 16 9.706 -4.010 -6.298 124 HE1 PHE 16 HE2 PHE 16 8.859 -6.198 -1.975 125 HE2 PHE 16 HE1 PHE 16 10.186 -6.400 -6.017 126 HZ PHE 16 HZ PHE 16 9.766 -7.491 -3.860 127 H ASN 17 H ASN 17 11.105 -0.667 -5.669 128 HA ASN 17 HA ASN 17 12.997 -2.675 -5.963 129 HB2 ASN 17 2HB ASN 17 12.940 0.192 -6.935 130 HB3 ASN 17 1HB ASN 17 14.356 -0.795 -7.251 131 HD21 ASN 17 1HD2 ASN 17 11.349 0.092 -8.408 132 HD22 ASN 17 2HD2 ASN 17 11.150 -1.138 -9.599 133 H THR 18 H THR 18 13.423 0.474 -4.387 134 HA THR 18 HA THR 18 16.121 -0.034 -3.552 135 HB THR 18 HB THR 18 15.292 2.255 -4.006 136 HG1 THR 18 HG1 THR 18 17.052 2.198 -2.682 137 HG21 THR 18 3HG2 THR 18 13.647 1.970 -1.465 138 HG22 THR 18 1HG2 THR 18 12.996 2.072 -3.104 139 HG23 THR 18 2HG2 THR 18 13.853 3.448 -2.407 140 H LYS 19 H LYS 19 12.991 -0.812 -2.224 141 HA LYS 19 HA LYS 19 13.826 -0.841 0.558 142 HB2 LYS 19 2HB LYS 19 11.551 -0.061 -0.199 143 HB3 LYS 19 1HB LYS 19 11.173 -1.710 -0.668 144 HG2 LYS 19 2HG LYS 19 10.165 -1.079 1.501 145 HG3 LYS 19 1HG LYS 19 11.269 -2.446 1.649 146 HD2 LYS 19 2HD LYS 19 11.499 -0.812 3.524 147 HD3 LYS 19 1HD LYS 19 12.996 -1.031 2.618 148 HE2 LYS 19 2HE LYS 19 12.629 1.338 3.172 149 HE3 LYS 19 1HE LYS 19 12.589 1.095 1.426 150 HZ1 LYS 19 3HZ LYS 19 10.233 1.387 3.206 151 HZ2 LYS 19 1HZ LYS 19 10.171 1.127 1.535 152 HZ3 LYS 19 2HZ LYS 19 10.833 2.558 2.141 153 H ARG 20 H ARG 20 13.513 -3.159 -2.047 154 HA ARG 20 HA ARG 20 13.427 -5.622 -0.775 155 HB2 ARG 20 2HB ARG 20 15.152 -4.851 -3.167 156 HB3 ARG 20 1HB ARG 20 14.748 -6.505 -2.707 157 HG2 ARG 20 2HG ARG 20 12.389 -6.108 -3.176 158 HG3 ARG 20 1HG ARG 20 12.710 -4.406 -3.516 159 HD2 ARG 20 2HD ARG 20 13.766 -6.770 -5.108 160 HD3 ARG 20 1HD ARG 20 12.448 -5.695 -5.593 161 HE ARG 20 HE ARG 20 14.957 -4.360 -5.031 162 HH11 ARG 20 1HH1 ARG 20 13.042 -5.829 -7.590 163 HH12 ARG 20 2HH1 ARG 20 13.908 -4.994 -8.840 164 HH21 ARG 20 1HH2 ARG 20 16.034 -3.294 -6.644 165 HH22 ARG 20 2HH2 ARG 20 15.610 -3.559 -8.305 166 H HIS 21 H HIS 21 16.121 -3.392 -1.013 167 HA HIS 21 HA HIS 21 18.186 -5.153 -0.089 168 HB2 HIS 21 2HB HIS 21 18.078 -2.116 -0.312 169 HB3 HIS 21 1HB HIS 21 19.530 -3.025 0.093 170 HD1 HIS 21 HD1 HIS 21 20.796 -4.148 -1.818 171 HD2 HIS 21 HD2 HIS 21 17.211 -2.419 -3.026 172 HE1 HIS 21 HE1 HIS 21 20.851 -4.173 -4.327 173 HE2 HIS 21 HE2 HIS 21 18.606 -3.283 -5.027 174 H SER 22 H SER 22 15.722 -3.400 1.567 175 HA SER 22 HA SER 22 17.205 -3.354 4.126 176 HB2 SER 22 2HB SER 22 14.584 -1.991 3.354 177 HB3 SER 22 1HB SER 22 15.427 -1.806 4.900 178 HG SER 22 HG SER 22 16.943 -0.612 3.969 179 H VAL 23 H VAL 23 14.329 -4.705 2.566 180 HA VAL 23 HA VAL 23 13.401 -5.981 5.042 181 HB VAL 23 HB VAL 23 11.462 -6.761 3.746 182 HG11 VAL 23 1HG1 VAL 23 11.352 -4.503 4.708 183 HG12 VAL 23 2HG1 VAL 23 10.444 -4.578 3.200 184 HG13 VAL 23 3HG1 VAL 23 12.037 -3.814 3.231 185 HG21 VAL 23 3HG2 VAL 23 12.508 -7.217 1.562 186 HG22 VAL 23 1HG2 VAL 23 12.756 -5.490 1.294 187 HG23 VAL 23 2HG2 VAL 23 11.119 -6.148 1.361 188 H GLY 24 H GLY 24 15.049 -6.829 2.071 189 HA2 GLY 24 2HA GLY 24 16.489 -8.739 1.884 190 HA3 GLY 24 1HA GLY 24 15.423 -9.630 2.966 191 H ILE 25 H ILE 25 16.269 -10.461 0.317 192 HA ILE 25 HA ILE 25 14.497 -9.727 -1.764 193 HB ILE 25 HB ILE 25 16.279 -12.207 -1.595 194 HG12 ILE 25 2HG1 ILE 25 17.611 -10.141 -1.278 195 HG13 ILE 25 1HG1 ILE 25 17.975 -10.849 -2.847 196 HG21 ILE 25 1HG2 ILE 25 16.223 -12.214 -4.078 197 HG22 ILE 25 2HG2 ILE 25 15.079 -10.872 -4.059 198 HG23 ILE 25 3HG2 ILE 25 14.612 -12.438 -3.395 199 HD11 ILE 25 3HD1 ILE 25 17.829 -8.438 -2.980 200 HD12 ILE 25 1HD1 ILE 25 16.186 -8.471 -2.336 201 HD13 ILE 25 2HD1 ILE 25 16.532 -9.179 -3.919 202 H GLN 26 H GLN 26 14.529 -12.645 0.314 203 HA GLN 26 HA GLN 26 12.326 -13.956 -0.954 204 HB2 GLN 26 2HB GLN 26 12.331 -15.485 0.981 205 HB3 GLN 26 1HB GLN 26 13.964 -15.222 0.376 206 HG2 GLN 26 2HG GLN 26 14.317 -13.564 2.230 207 HG3 GLN 26 1HG GLN 26 12.727 -13.998 2.853 208 HE21 GLN 26 1HE2 GLN 26 15.024 -16.332 1.476 209 HE22 GLN 26 2HE2 GLN 26 15.311 -17.162 2.961 210 H THR 27 H THR 27 12.578 -11.648 1.657 211 HA THR 27 HA THR 27 9.855 -11.747 2.594 212 HB THR 27 HB THR 27 11.965 -9.557 2.898 213 HG1 THR 27 HG1 THR 27 12.765 -11.354 3.838 214 HG21 THR 27 3HG2 THR 27 9.476 -10.069 4.572 215 HG22 THR 27 1HG2 THR 27 9.706 -8.716 3.456 216 HG23 THR 27 2HG2 THR 27 10.716 -8.852 4.898 217 H ALA 28 H ALA 28 11.661 -9.959 0.199 218 HA ALA 28 HA ALA 28 9.844 -7.832 -0.273 219 HB1 ALA 28 3HB ALA 28 12.088 -8.919 -2.011 220 HB2 ALA 28 1HB ALA 28 12.252 -7.679 -0.765 221 HB3 ALA 28 2HB ALA 28 11.293 -7.354 -2.211 222 H LYS 29 H LYS 29 10.415 -10.982 -1.846 223 HA LYS 29 HA LYS 29 8.734 -10.860 -4.051 224 HB2 LYS 29 2HB LYS 29 10.180 -12.804 -3.587 225 HB3 LYS 29 1HB LYS 29 9.191 -13.241 -2.197 226 HG2 LYS 29 2HG LYS 29 7.250 -13.579 -3.799 227 HG3 LYS 29 1HG LYS 29 8.381 -13.334 -5.133 228 HD2 LYS 29 2HD LYS 29 8.552 -15.534 -3.029 229 HD3 LYS 29 1HD LYS 29 7.955 -15.739 -4.679 230 HE2 LYS 29 2HE LYS 29 10.190 -15.136 -5.561 231 HE3 LYS 29 1HE LYS 29 10.775 -14.920 -3.908 232 HZ1 LYS 29 3HZ LYS 29 9.778 -17.462 -5.069 233 HZ2 LYS 29 1HZ LYS 29 10.334 -17.253 -3.486 234 HZ3 LYS 29 2HZ LYS 29 11.395 -17.070 -4.790 235 H VAL 30 H VAL 30 7.938 -11.310 -0.683 236 HA VAL 30 HA VAL 30 5.213 -12.160 -1.088 237 HB VAL 30 HB VAL 30 6.507 -11.275 1.528 238 HG11 VAL 30 1HG1 VAL 30 4.858 -12.777 2.579 239 HG12 VAL 30 2HG1 VAL 30 4.193 -13.171 0.992 240 HG13 VAL 30 3HG1 VAL 30 4.055 -11.528 1.622 241 HG21 VAL 30 3HG2 VAL 30 7.943 -12.971 0.459 242 HG22 VAL 30 1HG2 VAL 30 6.559 -14.060 0.293 243 HG23 VAL 30 2HG2 VAL 30 7.154 -13.619 1.896 244 H LEU 31 H LEU 31 6.924 -9.180 -0.189 245 HA LEU 31 HA LEU 31 4.668 -7.584 0.480 246 HB2 LEU 31 2HB LEU 31 7.362 -6.656 -0.603 247 HB3 LEU 31 1HB LEU 31 6.151 -5.618 0.141 248 HG LEU 31 HG LEU 31 7.818 -7.765 1.511 249 HD11 LEU 31 1HD1 LEU 31 8.732 -5.915 2.821 250 HD12 LEU 31 2HD1 LEU 31 7.735 -4.759 1.930 251 HD13 LEU 31 3HD1 LEU 31 9.004 -5.664 1.097 252 HD21 LEU 31 3HD2 LEU 31 5.588 -6.106 2.744 253 HD22 LEU 31 1HD2 LEU 31 6.694 -7.170 3.619 254 HD23 LEU 31 2HD2 LEU 31 5.557 -7.848 2.458 255 H LYS 32 H LYS 32 6.455 -8.037 -2.596 256 HA LYS 32 HA LYS 32 4.690 -6.284 -4.075 257 HB2 LYS 32 2HB LYS 32 7.102 -6.584 -4.684 258 HB3 LYS 32 1HB LYS 32 6.741 -8.229 -5.203 259 HG2 LYS 32 2HG LYS 32 5.193 -7.350 -6.918 260 HG3 LYS 32 1HG LYS 32 5.510 -5.702 -6.360 261 HD2 LYS 32 2HD LYS 32 7.900 -5.986 -6.991 262 HD3 LYS 32 1HD LYS 32 7.524 -7.594 -7.624 263 HE2 LYS 32 2HE LYS 32 6.055 -6.630 -9.310 264 HE3 LYS 32 1HE LYS 32 6.246 -5.018 -8.617 265 HZ1 LYS 32 3HZ LYS 32 7.633 -5.211 -10.502 266 HZ2 LYS 32 1HZ LYS 32 8.328 -6.643 -9.936 267 HZ3 LYS 32 2HZ LYS 32 8.624 -5.189 -9.138 268 H GLY 33 H GLY 33 4.948 -9.702 -3.422 269 HA2 GLY 33 2HA GLY 33 3.066 -10.773 -5.205 270 HA3 GLY 33 1HA GLY 33 3.392 -11.387 -3.584 271 H TYR 34 H TYR 34 2.712 -8.969 -2.226 272 HA TYR 34 HA TYR 34 -0.174 -9.062 -2.167 273 HB2 TYR 34 2HB TYR 34 1.877 -7.478 -0.577 274 HB3 TYR 34 1HB TYR 34 0.140 -7.369 -0.307 275 HD1 TYR 34 HD2 TYR 34 -0.365 -10.441 -0.775 276 HD2 TYR 34 HD1 TYR 34 2.382 -8.264 1.688 277 HE1 TYR 34 HE2 TYR 34 -0.305 -12.302 0.812 278 HE2 TYR 34 HE1 TYR 34 2.415 -10.130 3.280 279 HH TYR 34 HH TYR 34 1.137 -13.199 2.559 280 H LEU 35 H LEU 35 2.366 -6.805 -3.279 281 HA LEU 35 HA LEU 35 0.751 -4.514 -3.593 282 HB2 LEU 35 2HB LEU 35 3.365 -5.340 -4.866 283 HB3 LEU 35 1HB LEU 35 2.570 -3.859 -5.366 284 HG LEU 35 HG LEU 35 3.528 -4.464 -2.536 285 HD11 LEU 35 1HD1 LEU 35 5.234 -2.738 -2.939 286 HD12 LEU 35 2HD1 LEU 35 4.692 -2.575 -4.612 287 HD13 LEU 35 3HD1 LEU 35 5.410 -4.091 -4.057 288 HD21 LEU 35 3HD2 LEU 35 1.535 -3.041 -2.506 289 HD22 LEU 35 1HD2 LEU 35 2.268 -1.940 -3.677 290 HD23 LEU 35 2HD2 LEU 35 2.956 -2.103 -2.060 291 H ASN 36 H ASN 36 1.962 -6.585 -6.272 292 HA ASN 36 HA ASN 36 0.327 -5.323 -8.203 293 HB2 ASN 36 2HB ASN 36 1.076 -7.179 -9.738 294 HB3 ASN 36 1HB ASN 36 2.377 -6.314 -8.933 295 HD21 ASN 36 1HD2 ASN 36 3.856 -7.956 -9.159 296 HD22 ASN 36 2HD2 ASN 36 3.763 -9.452 -8.307 297 H SER 37 H SER 37 -0.374 -7.930 -6.050 298 HA SER 37 HA SER 37 -2.640 -8.969 -7.552 299 HB2 SER 37 2HB SER 37 -1.237 -10.472 -6.166 300 HB3 SER 37 1HB SER 37 -1.693 -9.584 -4.712 301 HG SER 37 HG SER 37 -2.955 -11.596 -5.893 302 H ARG 38 H ARG 38 -2.147 -7.117 -4.534 303 HA ARG 38 HA ARG 38 -5.040 -6.687 -4.198 304 HB2 ARG 38 2HB ARG 38 -2.687 -6.376 -2.298 305 HB3 ARG 38 1HB ARG 38 -4.295 -5.800 -1.897 306 HG2 ARG 38 2HG ARG 38 -3.724 -8.702 -2.569 307 HG3 ARG 38 1HG ARG 38 -3.608 -8.057 -0.931 308 HD2 ARG 38 2HD ARG 38 -5.772 -9.120 -1.220 309 HD3 ARG 38 1HD ARG 38 -6.001 -7.381 -1.048 310 HE ARG 38 HE ARG 38 -5.993 -8.646 -3.709 311 HH11 ARG 38 1HH1 ARG 38 -7.679 -6.708 -1.312 312 HH12 ARG 38 2HH1 ARG 38 -9.072 -6.477 -2.311 313 HH21 ARG 38 1HH2 ARG 38 -7.822 -8.344 -4.988 314 HH22 ARG 38 2HH2 ARG 38 -9.144 -7.388 -4.404 315 H ILE 39 H ILE 39 -2.029 -4.678 -3.881 316 HA ILE 39 HA ILE 39 -3.667 -2.340 -3.490 317 HB ILE 39 HB ILE 39 -0.619 -2.454 -3.638 318 HG12 ILE 39 2HG1 ILE 39 -0.903 -2.054 -1.038 319 HG13 ILE 39 1HG1 ILE 39 -2.522 -2.696 -1.264 320 HG21 ILE 39 1HG2 ILE 39 -0.693 -0.238 -2.519 321 HG22 ILE 39 2HG2 ILE 39 -2.454 -0.240 -2.633 322 HG23 ILE 39 3HG2 ILE 39 -1.474 -0.200 -4.098 323 HD11 ILE 39 3HD1 ILE 39 -1.032 -4.370 -0.426 324 HD12 ILE 39 1HD1 ILE 39 0.080 -4.119 -1.771 325 HD13 ILE 39 2HD1 ILE 39 -1.525 -4.797 -2.065 326 H ILE 40 H ILE 40 -1.486 -3.414 -6.158 327 HA ILE 40 HA ILE 40 -1.508 -1.020 -7.617 328 HB ILE 40 HB ILE 40 -0.757 -3.823 -8.351 329 HG12 ILE 40 2HG1 ILE 40 1.327 -2.657 -9.210 330 HG13 ILE 40 1HG1 ILE 40 0.621 -1.122 -8.726 331 HG21 ILE 40 1HG2 ILE 40 -1.300 -1.782 -10.533 332 HG22 ILE 40 2HG2 ILE 40 -2.107 -3.336 -10.311 333 HG23 ILE 40 3HG2 ILE 40 -0.403 -3.287 -10.758 334 HD11 ILE 40 3HD1 ILE 40 2.230 -1.838 -7.125 335 HD12 ILE 40 1HD1 ILE 40 1.423 -3.393 -6.933 336 HD13 ILE 40 2HD1 ILE 40 0.629 -1.912 -6.393 337 HA PRO 41 HA PRO 41 -5.245 -2.489 -10.312 338 HB2 PRO 41 2HB PRO 41 -6.856 -4.549 -9.535 339 HB3 PRO 41 1HB PRO 41 -5.374 -4.810 -10.469 340 HG2 PRO 41 2HG PRO 41 -5.799 -5.051 -7.489 341 HG3 PRO 41 1HG PRO 41 -4.984 -6.183 -8.590 342 HD2 PRO 41 2HD PRO 41 -3.596 -4.423 -7.053 343 HD3 PRO 41 1HD PRO 41 -3.033 -4.899 -8.672 344 H SER 42 H SER 42 -5.310 -2.113 -6.907 345 HA SER 42 HA SER 42 -8.074 -1.065 -6.880 346 HB2 SER 42 2HB SER 42 -7.430 -2.724 -5.121 347 HB3 SER 42 1HB SER 42 -6.187 -1.620 -4.539 348 HG SER 42 HG SER 42 -9.003 -1.302 -4.485 349 H LEU 43 H LEU 43 -5.046 -0.084 -5.247 350 HA LEU 43 HA LEU 43 -5.822 2.735 -5.353 351 HB2 LEU 43 2HB LEU 43 -3.496 1.439 -3.875 352 HB3 LEU 43 1HB LEU 43 -4.137 3.058 -3.620 353 HG LEU 43 HG LEU 43 -5.554 0.440 -2.956 354 HD11 LEU 43 1HD1 LEU 43 -3.733 0.936 -1.407 355 HD12 LEU 43 2HD1 LEU 43 -5.298 1.108 -0.616 356 HD13 LEU 43 3HD1 LEU 43 -4.393 2.548 -1.104 357 HD21 LEU 43 3HD2 LEU 43 -6.523 3.289 -2.540 358 HD22 LEU 43 1HD2 LEU 43 -7.311 1.831 -1.923 359 HD23 LEU 43 2HD2 LEU 43 -7.195 2.098 -3.657 360 H GLY 44 H GLY 44 -3.546 0.570 -6.827 361 HA2 GLY 44 2HA GLY 44 -1.369 2.372 -7.255 362 HA3 GLY 44 1HA GLY 44 -1.601 0.809 -8.023 363 H ASN 45 H ASN 45 -4.024 1.206 -9.329 364 HA ASN 45 HA ASN 45 -3.419 2.604 -11.689 365 HB2 ASN 45 2HB ASN 45 -6.080 1.643 -10.554 366 HB3 ASN 45 1HB ASN 45 -5.898 2.286 -12.185 367 HD21 ASN 45 1HD2 ASN 45 -6.597 0.303 -13.041 368 HD22 ASN 45 2HD2 ASN 45 -5.566 -1.083 -13.090 369 H ILE 46 H ILE 46 -4.698 3.717 -8.703 370 HA ILE 46 HA ILE 46 -5.820 6.226 -9.668 371 HB ILE 46 HB ILE 46 -5.311 5.241 -6.808 372 HG12 ILE 46 2HG1 ILE 46 -7.885 5.027 -8.442 373 HG13 ILE 46 1HG1 ILE 46 -6.805 3.685 -8.081 374 HG21 ILE 46 1HG2 ILE 46 -7.008 6.895 -6.120 375 HG22 ILE 46 2HG2 ILE 46 -7.149 7.457 -7.788 376 HG23 ILE 46 3HG2 ILE 46 -5.631 7.670 -6.909 377 HD11 ILE 46 3HD1 ILE 46 -8.742 3.640 -6.650 378 HD12 ILE 46 1HD1 ILE 46 -8.412 5.271 -6.083 379 HD13 ILE 46 2HD1 ILE 46 -7.304 3.957 -5.682 380 H LYS 47 H LYS 47 -4.869 8.306 -9.189 381 HA LYS 47 HA LYS 47 -1.996 8.446 -9.126 382 HB2 LYS 47 2HB LYS 47 -3.973 10.729 -8.685 383 HB3 LYS 47 1HB LYS 47 -2.281 10.875 -9.161 384 HG2 LYS 47 2HG LYS 47 -4.515 9.672 -10.826 385 HG3 LYS 47 1HG LYS 47 -3.804 11.274 -11.045 386 HD2 LYS 47 2HD LYS 47 -1.627 10.219 -11.632 387 HD3 LYS 47 1HD LYS 47 -2.336 8.617 -11.387 388 HE2 LYS 47 2HE LYS 47 -3.950 9.089 -13.236 389 HE3 LYS 47 1HE LYS 47 -3.164 10.647 -13.498 390 HZ1 LYS 47 3HZ LYS 47 -2.429 8.918 -15.021 391 HZ2 LYS 47 1HZ LYS 47 -1.826 8.019 -13.723 392 HZ3 LYS 47 2HZ LYS 47 -1.161 9.531 -14.088 393 H LEU 48 H LEU 48 -0.695 9.288 -7.446 394 HA LEU 48 HA LEU 48 -1.098 8.199 -4.932 395 HB2 LEU 48 2HB LEU 48 1.098 8.672 -5.853 396 HB3 LEU 48 1HB LEU 48 0.779 10.396 -5.857 397 HG LEU 48 HG LEU 48 0.923 10.499 -3.415 398 HD11 LEU 48 1HD1 LEU 48 1.478 8.556 -2.030 399 HD12 LEU 48 2HD1 LEU 48 1.349 7.498 -3.439 400 HD13 LEU 48 3HD1 LEU 48 -0.079 8.341 -2.832 401 HD21 LEU 48 3HD2 LEU 48 3.241 8.907 -4.568 402 HD22 LEU 48 1HD2 LEU 48 3.285 9.897 -3.104 403 HD23 LEU 48 2HD2 LEU 48 3.027 10.658 -4.673 404 H ALA 49 H ALA 49 -1.695 11.579 -5.936 405 HA ALA 49 HA ALA 49 -2.444 12.465 -3.271 406 HB1 ALA 49 3HB ALA 49 -1.342 13.997 -4.854 407 HB2 ALA 49 1HB ALA 49 -2.901 14.628 -4.315 408 HB3 ALA 49 2HB ALA 49 -2.741 13.904 -5.919 409 H LYS 50 H LYS 50 -4.117 10.978 -5.912 410 HA LYS 50 HA LYS 50 -6.769 11.906 -5.155 411 HB2 LYS 50 2HB LYS 50 -5.809 9.837 -7.168 412 HB3 LYS 50 1HB LYS 50 -7.521 10.116 -6.845 413 HG2 LYS 50 2HG LYS 50 -5.568 12.217 -7.857 414 HG3 LYS 50 1HG LYS 50 -6.711 11.313 -8.860 415 HD2 LYS 50 2HD LYS 50 -8.609 12.300 -7.599 416 HD3 LYS 50 1HD LYS 50 -7.477 13.188 -6.570 417 HE2 LYS 50 2HE LYS 50 -8.393 14.668 -8.276 418 HE3 LYS 50 1HE LYS 50 -6.677 14.417 -8.571 419 HZ1 LYS 50 3HZ LYS 50 -7.914 14.306 -10.614 420 HZ2 LYS 50 1HZ LYS 50 -8.892 13.065 -10.006 421 HZ3 LYS 50 2HZ LYS 50 -7.244 12.800 -10.264 422 H LEU 51 H LEU 51 -4.636 9.503 -3.987 423 HA LEU 51 HA LEU 51 -6.463 7.583 -2.974 424 HB2 LEU 51 2HB LEU 51 -3.640 8.375 -2.308 425 HB3 LEU 51 1HB LEU 51 -4.513 7.484 -1.078 426 HG LEU 51 HG LEU 51 -4.879 5.619 -2.682 427 HD11 LEU 51 1HD1 LEU 51 -4.801 6.832 -4.803 428 HD12 LEU 51 2HD1 LEU 51 -3.637 5.510 -4.789 429 HD13 LEU 51 3HD1 LEU 51 -3.085 7.173 -4.565 430 HD21 LEU 51 3HD2 LEU 51 -2.978 5.611 -1.110 431 HD22 LEU 51 1HD2 LEU 51 -1.965 6.383 -2.333 432 HD23 LEU 51 2HD2 LEU 51 -2.603 4.760 -2.604 433 H THR 52 H THR 52 -8.267 8.586 -2.098 434 HA THR 52 HA THR 52 -7.994 10.280 0.285 435 HB THR 52 HB THR 52 -9.620 10.945 -1.495 436 HG1 THR 52 HG1 THR 52 -10.826 11.753 0.028 437 HG21 THR 52 3HG2 THR 52 -10.351 8.718 -2.269 438 HG22 THR 52 1HG2 THR 52 -11.735 9.706 -1.782 439 HG23 THR 52 2HG2 THR 52 -11.140 8.432 -0.715 440 H SER 53 H SER 53 -9.728 9.668 2.057 441 HA SER 53 HA SER 53 -8.868 7.261 3.286 442 HB2 SER 53 2HB SER 53 -9.598 9.267 4.569 443 HB3 SER 53 1HB SER 53 -11.252 9.010 4.020 444 HG SER 53 HG SER 53 -9.908 6.918 5.327 445 H LEU 54 H LEU 54 -11.683 8.049 1.342 446 HA LEU 54 HA LEU 54 -13.339 5.826 1.780 447 HB2 LEU 54 2HB LEU 54 -14.053 7.810 0.498 448 HB3 LEU 54 1HB LEU 54 -12.895 7.436 -0.765 449 HG LEU 54 HG LEU 54 -14.174 5.391 -1.363 450 HD11 LEU 54 1HD1 LEU 54 -16.402 4.953 -0.423 451 HD12 LEU 54 2HD1 LEU 54 -16.168 6.246 0.757 452 HD13 LEU 54 3HD1 LEU 54 -15.136 4.812 0.798 453 HD21 LEU 54 3HD2 LEU 54 -14.673 7.473 -2.551 454 HD22 LEU 54 1HD2 LEU 54 -15.880 7.907 -1.335 455 HD23 LEU 54 2HD2 LEU 54 -16.133 6.500 -2.373 456 H HIS 55 H HIS 55 -10.489 6.216 -0.263 457 HA HIS 55 HA HIS 55 -10.702 3.776 -1.727 458 HB2 HIS 55 2HB HIS 55 -8.314 5.596 -1.215 459 HB3 HIS 55 1HB HIS 55 -8.276 4.226 -2.318 460 HD1 HIS 55 HD1 HIS 55 -7.598 6.474 -3.839 461 HD2 HIS 55 HD2 HIS 55 -11.596 5.850 -2.899 462 HE1 HIS 55 HE1 HIS 55 -8.898 7.821 -5.500 463 HE2 HIS 55 HE2 HIS 55 -11.310 7.278 -5.026 464 H MET 56 H MET 56 -9.139 4.650 1.313 465 HA MET 56 HA MET 56 -7.792 2.115 1.679 466 HB2 MET 56 2HB MET 56 -8.404 4.312 3.704 467 HB3 MET 56 1HB MET 56 -7.328 2.936 3.981 468 HG2 MET 56 2HG MET 56 -6.948 5.170 1.972 469 HG3 MET 56 1HG MET 56 -6.007 4.884 3.443 470 HE1 MET 56 3HE MET 56 -4.916 5.225 0.327 471 HE2 MET 56 1HE MET 56 -3.591 4.065 0.369 472 HE3 MET 56 2HE MET 56 -3.860 5.144 1.737 473 H GLN 57 H GLN 57 -10.874 3.515 2.593 474 HA GLN 57 HA GLN 57 -11.804 1.530 4.391 475 HB2 GLN 57 2HB GLN 57 -12.865 3.755 4.202 476 HB3 GLN 57 1HB GLN 57 -13.360 3.407 2.552 477 HG2 GLN 57 2HG GLN 57 -15.252 3.193 4.065 478 HG3 GLN 57 1HG GLN 57 -14.856 1.617 3.372 479 HE21 GLN 57 1HE2 GLN 57 -13.992 -0.003 4.732 480 HE22 GLN 57 2HE2 GLN 57 -14.063 0.115 6.456 481 H ASN 58 H ASN 58 -12.355 2.012 0.903 482 HA ASN 58 HA ASN 58 -13.937 -0.256 0.369 483 HB2 ASN 58 2HB ASN 58 -12.064 1.238 -1.526 484 HB3 ASN 58 1HB ASN 58 -13.298 0.091 -2.036 485 HD21 ASN 58 1HD2 ASN 58 -13.009 2.836 -2.824 486 HD22 ASN 58 2HD2 ASN 58 -14.454 3.651 -2.341 487 H TYR 59 H TYR 59 -10.466 0.229 0.564 488 HA TYR 59 HA TYR 59 -9.625 -2.229 -0.587 489 HB2 TYR 59 2HB TYR 59 -8.126 -0.244 -0.322 490 HB3 TYR 59 1HB TYR 59 -8.158 -0.461 1.427 491 HD1 TYR 59 HD2 TYR 59 -7.146 -2.143 -1.769 492 HD2 TYR 59 HD1 TYR 59 -6.616 -1.976 2.476 493 HE1 TYR 59 HE2 TYR 59 -5.265 -3.718 -1.934 494 HE2 TYR 59 HE1 TYR 59 -4.753 -3.556 2.304 495 HH TYR 59 HH TYR 59 -3.323 -4.405 -0.658 496 H VAL 60 H VAL 60 -10.104 -1.201 2.828 497 HA VAL 60 HA VAL 60 -9.376 -3.672 4.044 498 HB VAL 60 HB VAL 60 -11.045 -1.351 5.111 499 HG11 VAL 60 1HG1 VAL 60 -9.921 -3.702 6.711 500 HG12 VAL 60 2HG1 VAL 60 -11.635 -3.376 6.426 501 HG13 VAL 60 3HG1 VAL 60 -10.676 -2.261 7.401 502 HG21 VAL 60 3HG2 VAL 60 -8.974 -0.749 6.331 503 HG22 VAL 60 1HG2 VAL 60 -8.691 -0.795 4.587 504 HG23 VAL 60 2HG2 VAL 60 -8.142 -2.131 5.608 505 H ASN 61 H ASN 61 -12.473 -2.405 2.924 506 HA ASN 61 HA ASN 61 -14.154 -4.486 3.902 507 HB2 ASN 61 2HB ASN 61 -14.534 -2.566 1.564 508 HB3 ASN 61 1HB ASN 61 -15.790 -3.661 2.141 509 HD21 ASN 61 1HD2 ASN 61 -15.730 -0.720 2.029 510 HD22 ASN 61 2HD2 ASN 61 -16.038 -0.189 3.645 511 H SER 62 H SER 62 -12.314 -4.031 0.922 512 HA SER 62 HA SER 62 -13.172 -6.301 -0.507 513 HB2 SER 62 2HB SER 62 -11.954 -4.463 -1.591 514 HB3 SER 62 1HB SER 62 -10.522 -4.803 -0.625 515 HG SER 62 HG SER 62 -11.617 -6.846 -2.207 516 H LEU 63 H LEU 63 -10.661 -5.883 1.972 517 HA LEU 63 HA LEU 63 -9.258 -8.336 1.602 518 HB2 LEU 63 2HB LEU 63 -9.498 -6.820 4.233 519 HB3 LEU 63 1HB LEU 63 -8.199 -7.906 3.742 520 HG LEU 63 HG LEU 63 -8.796 -5.142 2.654 521 HD11 LEU 63 1HD1 LEU 63 -6.408 -6.165 4.192 522 HD12 LEU 63 2HD1 LEU 63 -7.681 -5.092 4.787 523 HD13 LEU 63 3HD1 LEU 63 -6.592 -4.541 3.516 524 HD21 LEU 63 3HD2 LEU 63 -6.840 -5.402 1.169 525 HD22 LEU 63 1HD2 LEU 63 -8.143 -6.511 0.762 526 HD23 LEU 63 2HD2 LEU 63 -6.724 -7.101 1.625 527 H ARG 64 H ARG 64 -11.999 -7.417 3.548 528 HA ARG 64 HA ARG 64 -12.469 -9.755 5.043 529 HB2 ARG 64 2HB ARG 64 -13.594 -7.661 5.546 530 HB3 ARG 64 1HB ARG 64 -14.293 -7.592 3.929 531 HG2 ARG 64 2HG ARG 64 -15.554 -9.768 4.590 532 HG3 ARG 64 1HG ARG 64 -15.076 -9.377 6.249 533 HD2 ARG 64 2HD ARG 64 -17.350 -8.536 5.662 534 HD3 ARG 64 1HD ARG 64 -16.240 -7.232 6.114 535 HE ARG 64 HE ARG 64 -16.330 -7.784 3.267 536 HH11 ARG 64 1HH1 ARG 64 -17.887 -5.926 5.803 537 HH12 ARG 64 2HH1 ARG 64 -18.420 -4.690 4.713 538 HH21 ARG 64 1HH2 ARG 64 -16.945 -6.145 1.893 539 HH22 ARG 64 2HH2 ARG 64 -17.877 -4.806 2.489 540 H ASP 65 H ASP 65 -13.728 -8.685 1.862 541 HA ASP 65 HA ASP 65 -15.247 -11.032 1.296 542 HB2 ASP 65 2HB ASP 65 -14.276 -8.737 -0.446 543 HB3 ASP 65 1HB ASP 65 -15.241 -10.062 -1.095 544 H GLU 66 H GLU 66 -11.896 -10.152 0.698 545 HA GLU 66 HA GLU 66 -11.220 -12.314 -1.066 546 HB2 GLU 66 2HB GLU 66 -9.506 -10.565 0.759 547 HB3 GLU 66 1HB GLU 66 -8.838 -11.756 -0.350 548 HG2 GLU 66 2HG GLU 66 -10.472 -9.340 -1.175 549 HG3 GLU 66 1HG GLU 66 -8.712 -9.418 -1.187 550 H GLY 67 H GLY 67 -11.715 -11.962 2.341 551 HA2 GLY 67 2HA GLY 67 -11.706 -13.452 4.073 552 HA3 GLY 67 1HA GLY 67 -11.383 -14.737 2.918 553 H LEU 68 H LEU 68 -9.314 -11.924 3.187 554 HA LEU 68 HA LEU 68 -6.958 -13.432 3.703 555 HB2 LEU 68 2HB LEU 68 -7.439 -10.435 3.923 556 HB3 LEU 68 1HB LEU 68 -5.856 -11.202 4.008 557 HG LEU 68 HG LEU 68 -7.697 -11.224 1.582 558 HD11 LEU 68 1HD1 LEU 68 -5.105 -9.725 2.034 559 HD12 LEU 68 2HD1 LEU 68 -6.723 -9.023 1.959 560 HD13 LEU 68 3HD1 LEU 68 -6.028 -9.779 0.530 561 HD21 LEU 68 3HD2 LEU 68 -6.396 -13.293 1.689 562 HD22 LEU 68 1HD2 LEU 68 -4.901 -12.373 1.891 563 HD23 LEU 68 2HD2 LEU 68 -5.811 -12.270 0.380 564 H LYS 69 H LYS 69 -5.735 -13.606 5.560 565 HA LYS 69 HA LYS 69 -7.272 -13.669 8.028 566 HB2 LYS 69 2HB LYS 69 -5.516 -15.080 8.868 567 HB3 LYS 69 1HB LYS 69 -5.877 -15.587 7.223 568 HG2 LYS 69 2HG LYS 69 -3.834 -14.082 6.568 569 HG3 LYS 69 1HG LYS 69 -3.424 -14.170 8.285 570 HD2 LYS 69 2HD LYS 69 -3.594 -16.443 6.273 571 HD3 LYS 69 1HD LYS 69 -2.186 -15.903 7.191 572 HE2 LYS 69 2HE LYS 69 -4.649 -17.268 8.346 573 HE3 LYS 69 1HE LYS 69 -3.076 -18.017 8.075 574 HZ1 LYS 69 3HZ LYS 69 -3.606 -15.760 9.934 575 HZ2 LYS 69 1HZ LYS 69 -2.110 -16.506 9.676 576 HZ3 LYS 69 2HZ LYS 69 -3.377 -17.373 10.376 577 H ARG 70 H ARG 70 -6.091 -13.056 10.067 578 HA ARG 70 HA ARG 70 -6.029 -10.339 10.345 579 HB2 ARG 70 2HB ARG 70 -5.017 -10.723 12.594 580 HB3 ARG 70 1HB ARG 70 -6.326 -11.843 12.222 581 HG2 ARG 70 2HG ARG 70 -4.661 -13.590 11.648 582 HG3 ARG 70 1HG ARG 70 -3.361 -12.479 12.075 583 HD2 ARG 70 2HD ARG 70 -4.218 -12.411 14.405 584 HD3 ARG 70 1HD ARG 70 -5.489 -13.561 13.955 585 HE ARG 70 HE ARG 70 -2.843 -14.515 13.330 586 HH11 ARG 70 1HH1 ARG 70 -5.157 -14.256 15.970 587 HH12 ARG 70 2HH1 ARG 70 -4.524 -15.635 16.800 588 HH21 ARG 70 1HH2 ARG 70 -2.038 -16.295 14.459 589 HH22 ARG 70 2HH2 ARG 70 -2.768 -16.775 15.955 590 H GLY 71 H GLY 71 -3.117 -12.406 10.033 591 HA2 GLY 71 2HA GLY 71 -1.191 -10.365 10.261 592 HA3 GLY 71 1HA GLY 71 -0.950 -11.942 9.518 593 H THR 72 H THR 72 -2.568 -11.936 7.349 594 HA THR 72 HA THR 72 -1.078 -10.537 5.430 595 HB THR 72 HB THR 72 -3.907 -11.625 5.072 596 HG1 THR 72 HG1 THR 72 -1.385 -12.869 5.180 597 HG21 THR 72 3HG2 THR 72 -3.194 -10.211 3.172 598 HG22 THR 72 1HG2 THR 72 -3.261 -11.912 2.700 599 HG23 THR 72 2HG2 THR 72 -1.703 -11.147 3.023 600 H ILE 73 H ILE 73 -4.293 -9.812 6.807 601 HA ILE 73 HA ILE 73 -4.972 -7.519 5.394 602 HB ILE 73 HB ILE 73 -5.610 -8.180 8.307 603 HG12 ILE 73 2HG1 ILE 73 -7.298 -8.559 5.788 604 HG13 ILE 73 1HG1 ILE 73 -6.483 -9.846 6.674 605 HG21 ILE 73 1HG2 ILE 73 -5.890 -5.760 7.956 606 HG22 ILE 73 2HG2 ILE 73 -7.458 -6.531 8.172 607 HG23 ILE 73 3HG2 ILE 73 -6.924 -6.058 6.557 608 HD11 ILE 73 3HD1 ILE 73 -8.857 -9.806 7.174 609 HD12 ILE 73 1HD1 ILE 73 -8.748 -8.129 7.710 610 HD13 ILE 73 2HD1 ILE 73 -7.930 -9.403 8.621 611 H GLU 74 H GLU 74 -3.134 -7.787 8.466 612 HA GLU 74 HA GLU 74 -2.801 -4.976 8.772 613 HB2 GLU 74 2HB GLU 74 -2.615 -6.610 10.680 614 HB3 GLU 74 1HB GLU 74 -1.061 -7.140 10.036 615 HG2 GLU 74 2HG GLU 74 -0.219 -4.790 10.264 616 HG3 GLU 74 1HG GLU 74 -1.757 -4.342 10.991 617 H LYS 75 H LYS 75 -0.771 -7.496 7.274 618 HA LYS 75 HA LYS 75 1.640 -5.967 7.177 619 HB2 LYS 75 2HB LYS 75 0.809 -8.455 5.648 620 HB3 LYS 75 1HB LYS 75 2.409 -7.732 5.509 621 HG2 LYS 75 2HG LYS 75 2.761 -8.134 7.954 622 HG3 LYS 75 1HG LYS 75 1.197 -8.950 8.016 623 HD2 LYS 75 2HD LYS 75 3.607 -9.804 6.366 624 HD3 LYS 75 1HD LYS 75 3.008 -10.603 7.819 625 HE2 LYS 75 2HE LYS 75 1.034 -11.375 6.686 626 HE3 LYS 75 1HE LYS 75 1.323 -10.317 5.310 627 HZ1 LYS 75 3HZ LYS 75 3.289 -11.602 4.782 628 HZ2 LYS 75 1HZ LYS 75 1.896 -12.562 4.791 629 HZ3 LYS 75 2HZ LYS 75 2.978 -12.636 6.084 630 H ILE 76 H ILE 76 -0.967 -6.586 4.834 631 HA ILE 76 HA ILE 76 0.327 -5.263 2.641 632 HB ILE 76 HB ILE 76 -1.816 -5.444 1.445 633 HG12 ILE 76 2HG1 ILE 76 -2.949 -6.236 4.162 634 HG13 ILE 76 1HG1 ILE 76 -3.493 -4.933 3.107 635 HG21 ILE 76 1HG2 ILE 76 -0.338 -7.425 1.598 636 HG22 ILE 76 2HG2 ILE 76 -2.031 -7.877 1.431 637 HG23 ILE 76 3HG2 ILE 76 -1.239 -7.988 3.006 638 HD11 ILE 76 3HD1 ILE 76 -4.297 -6.633 1.503 639 HD12 ILE 76 1HD1 ILE 76 -5.059 -6.745 3.087 640 HD13 ILE 76 2HD1 ILE 76 -3.806 -7.895 2.639 641 H ILE 77 H ILE 77 -1.985 -4.280 5.134 642 HA ILE 77 HA ILE 77 -2.345 -1.582 4.343 643 HB ILE 77 HB ILE 77 -2.430 -2.885 7.103 644 HG12 ILE 77 2HG1 ILE 77 -4.206 -3.671 5.585 645 HG13 ILE 77 1HG1 ILE 77 -4.901 -2.702 6.876 646 HG21 ILE 77 1HG2 ILE 77 -3.606 -0.856 7.936 647 HG22 ILE 77 2HG2 ILE 77 -3.260 -0.044 6.406 648 HG23 ILE 77 3HG2 ILE 77 -1.937 -0.530 7.468 649 HD11 ILE 77 3HD1 ILE 77 -5.074 -0.809 5.311 650 HD12 ILE 77 1HD1 ILE 77 -5.980 -2.226 4.791 651 HD13 ILE 77 2HD1 ILE 77 -4.441 -1.838 4.025 652 H LYS 78 H LYS 78 0.172 -3.195 6.296 653 HA LYS 78 HA LYS 78 1.615 -0.924 7.149 654 HB2 LYS 78 2HB LYS 78 2.573 -3.770 6.659 655 HB3 LYS 78 1HB LYS 78 3.615 -2.517 7.321 656 HG2 LYS 78 2HG LYS 78 1.070 -3.533 8.607 657 HG3 LYS 78 1HG LYS 78 2.705 -4.024 9.042 658 HD2 LYS 78 2HD LYS 78 3.204 -1.643 9.666 659 HD3 LYS 78 1HD LYS 78 1.520 -1.233 9.322 660 HE2 LYS 78 2HE LYS 78 0.771 -2.783 11.080 661 HE3 LYS 78 1HE LYS 78 2.446 -3.239 11.406 662 HZ1 LYS 78 3HZ LYS 78 1.238 -0.562 11.779 663 HZ2 LYS 78 1HZ LYS 78 2.873 -0.922 11.997 664 HZ3 LYS 78 2HZ LYS 78 1.711 -1.641 12.987 665 H VAL 79 H VAL 79 1.834 -2.887 4.191 666 HA VAL 79 HA VAL 79 4.178 -1.718 3.104 667 HB VAL 79 HB VAL 79 1.883 -3.127 1.655 668 HG11 VAL 79 1HG1 VAL 79 3.205 -1.776 0.074 669 HG12 VAL 79 2HG1 VAL 79 3.490 -3.494 -0.194 670 HG13 VAL 79 3HG1 VAL 79 4.692 -2.522 0.656 671 HG21 VAL 79 3HG2 VAL 79 2.970 -4.575 3.333 672 HG22 VAL 79 1HG2 VAL 79 4.550 -4.231 2.628 673 HG23 VAL 79 2HG2 VAL 79 3.343 -5.129 1.702 674 H ILE 80 H ILE 80 0.710 -1.014 2.655 675 HA ILE 80 HA ILE 80 0.905 1.122 0.811 676 HB ILE 80 HB ILE 80 -1.215 0.673 2.968 677 HG12 ILE 80 2HG1 ILE 80 -1.301 -0.104 0.019 678 HG13 ILE 80 1HG1 ILE 80 -0.965 -1.222 1.336 679 HG21 ILE 80 1HG2 ILE 80 -1.302 2.993 2.166 680 HG22 ILE 80 2HG2 ILE 80 -2.706 2.104 1.587 681 HG23 ILE 80 3HG2 ILE 80 -1.365 2.438 0.490 682 HD11 ILE 80 3HD1 ILE 80 -3.256 -1.403 0.568 683 HD12 ILE 80 1HD1 ILE 80 -3.533 0.302 0.921 684 HD13 ILE 80 2HD1 ILE 80 -3.206 -0.831 2.237 685 H ARG 81 H ARG 81 0.779 1.087 4.356 686 HA ARG 81 HA ARG 81 0.869 3.854 4.810 687 HB2 ARG 81 2HB ARG 81 1.754 1.546 6.586 688 HB3 ARG 81 1HB ARG 81 1.694 3.223 7.133 689 HG2 ARG 81 2HG ARG 81 -0.727 3.294 6.705 690 HG3 ARG 81 1HG ARG 81 -0.687 1.628 6.127 691 HD2 ARG 81 2HD ARG 81 -1.509 1.651 8.396 692 HD3 ARG 81 1HD ARG 81 0.090 0.901 8.385 693 HE ARG 81 HE ARG 81 0.888 3.242 9.075 694 HH11 ARG 81 1HH1 ARG 81 -2.243 1.992 10.015 695 HH12 ARG 81 2HH1 ARG 81 -2.266 2.851 11.519 696 HH21 ARG 81 1HH2 ARG 81 0.847 4.376 11.040 697 HH22 ARG 81 2HH2 ARG 81 -0.515 4.195 12.101 698 H ASN 82 H ASN 82 3.484 1.448 4.612 699 HA ASN 82 HA ASN 82 5.653 3.083 5.340 700 HB2 ASN 82 2HB ASN 82 5.501 0.474 3.793 701 HB3 ASN 82 1HB ASN 82 7.049 1.252 4.108 702 HD21 ASN 82 1HD2 ASN 82 5.969 -1.336 5.003 703 HD22 ASN 82 2HD2 ASN 82 6.075 -1.320 6.726 704 H SER 83 H SER 83 4.220 2.355 2.169 705 HA SER 83 HA SER 83 6.133 3.862 0.665 706 HB2 SER 83 2HB SER 83 4.296 3.744 -1.163 707 HB3 SER 83 1HB SER 83 4.968 2.218 -0.590 708 HG SER 83 HG SER 83 2.491 3.389 0.143 709 H LEU 84 H LEU 84 2.968 4.650 2.113 710 HA LEU 84 HA LEU 84 2.866 7.331 1.085 711 HB2 LEU 84 2HB LEU 84 1.396 6.055 3.412 712 HB3 LEU 84 1HB LEU 84 1.064 7.670 2.803 713 HG LEU 84 HG LEU 84 0.636 5.054 1.294 714 HD11 LEU 84 1HD1 LEU 84 -1.376 7.046 2.394 715 HD12 LEU 84 2HD1 LEU 84 -1.031 5.434 3.033 716 HD13 LEU 84 3HD1 LEU 84 -1.749 5.608 1.433 717 HD21 LEU 84 3HD2 LEU 84 1.333 6.788 -0.281 718 HD22 LEU 84 1HD2 LEU 84 0.098 7.887 0.340 719 HD23 LEU 84 2HD2 LEU 84 -0.371 6.404 -0.496 720 H GLU 85 H GLU 85 4.375 5.891 3.917 721 HA GLU 85 HA GLU 85 4.962 8.221 5.442 722 HB2 GLU 85 2HB GLU 85 6.444 5.555 5.206 723 HB3 GLU 85 1HB GLU 85 6.858 6.794 6.387 724 HG2 GLU 85 2HG GLU 85 4.150 5.425 6.268 725 HG3 GLU 85 1HG GLU 85 5.487 4.851 7.254 726 H HIS 86 H HIS 86 6.645 6.399 2.953 727 HA HIS 86 HA HIS 86 8.949 8.070 2.767 728 HB2 HIS 86 2HB HIS 86 8.978 5.659 2.158 729 HB3 HIS 86 1HB HIS 86 7.886 5.982 0.816 730 HD1 HIS 86 HD1 HIS 86 11.244 7.436 1.932 731 HD2 HIS 86 HD2 HIS 86 9.315 6.066 -1.482 732 HE1 HIS 86 HE1 HIS 86 12.927 7.646 0.084 733 HE2 HIS 86 HE2 HIS 86 11.769 6.720 -1.952 734 H ALA 87 H ALA 87 5.770 8.100 1.317 735 HA ALA 87 HA ALA 87 6.369 9.912 -0.829 736 HB1 ALA 87 3HB ALA 87 3.697 9.269 0.467 737 HB2 ALA 87 1HB ALA 87 4.410 8.430 -0.911 738 HB3 ALA 87 2HB ALA 87 3.927 10.121 -1.065 739 H ILE 88 H ILE 88 5.352 10.311 2.560 740 HA ILE 88 HA ILE 88 5.122 13.181 2.478 741 HB ILE 88 HB ILE 88 5.760 11.418 4.889 742 HG12 ILE 88 2HG1 ILE 88 3.018 12.453 4.040 743 HG13 ILE 88 1HG1 ILE 88 3.590 10.825 3.698 744 HG21 ILE 88 1HG2 ILE 88 4.673 14.266 4.793 745 HG22 ILE 88 2HG2 ILE 88 6.289 13.783 5.316 746 HG23 ILE 88 3HG2 ILE 88 4.879 13.299 6.257 747 HD11 ILE 88 3HD1 ILE 88 2.104 10.913 5.638 748 HD12 ILE 88 1HD1 ILE 88 3.229 11.990 6.460 749 HD13 ILE 88 2HD1 ILE 88 3.711 10.333 6.078 750 H ASP 89 H ASP 89 7.705 10.883 3.210 751 HA ASP 89 HA ASP 89 9.805 12.605 3.881 752 HB2 ASP 89 2HB ASP 89 10.048 10.251 4.270 753 HB3 ASP 89 1HB ASP 89 9.743 9.862 2.580 754 H LEU 90 H LEU 90 8.717 11.490 0.674 755 HA LEU 90 HA LEU 90 10.671 13.107 -0.761 756 HB2 LEU 90 2HB LEU 90 8.313 11.532 -1.866 757 HB3 LEU 90 1HB LEU 90 9.608 12.245 -2.814 758 HG LEU 90 HG LEU 90 9.774 9.840 -0.963 759 HD11 LEU 90 1HD1 LEU 90 10.322 10.095 -3.934 760 HD12 LEU 90 2HD1 LEU 90 8.891 9.376 -3.189 761 HD13 LEU 90 3HD1 LEU 90 10.467 8.622 -2.962 762 HD21 LEU 90 3HD2 LEU 90 12.179 9.685 -1.467 763 HD22 LEU 90 1HD2 LEU 90 11.789 11.144 -0.558 764 HD23 LEU 90 2HD2 LEU 90 12.114 11.245 -2.287 765 H GLU 91 H GLU 91 7.757 13.729 0.738 766 HA GLU 91 HA GLU 91 6.395 15.503 0.943 767 HB2 GLU 91 2HB GLU 91 8.369 16.955 -0.865 768 HB3 GLU 91 1HB GLU 91 7.096 17.728 0.081 769 HG2 GLU 91 2HG GLU 91 8.186 16.848 2.165 770 HG3 GLU 91 1HG GLU 91 9.497 16.215 1.170 771 H LEU 92 H LEU 92 6.168 13.574 -1.299 772 HA LEU 92 HA LEU 92 4.769 14.755 -3.471 773 HB2 LEU 92 2HB LEU 92 4.696 11.943 -2.310 774 HB3 LEU 92 1HB LEU 92 3.985 12.400 -3.856 775 HG LEU 92 HG LEU 92 6.960 12.629 -3.219 776 HD11 LEU 92 1HD1 LEU 92 7.291 10.662 -4.642 777 HD12 LEU 92 2HD1 LEU 92 5.544 10.473 -4.815 778 HD13 LEU 92 3HD1 LEU 92 6.301 10.270 -3.233 779 HD21 LEU 92 3HD2 LEU 92 5.460 12.908 -5.847 780 HD22 LEU 92 1HD2 LEU 92 7.213 12.971 -5.645 781 HD23 LEU 92 2HD2 LEU 92 6.202 14.218 -4.925 782 H ILE 93 H ILE 93 3.761 13.348 -0.371 783 HA ILE 93 HA ILE 93 1.143 14.728 -0.596 784 HB ILE 93 HB ILE 93 0.059 12.971 0.800 785 HG12 ILE 93 2HG1 ILE 93 2.606 11.333 0.382 786 HG13 ILE 93 1HG1 ILE 93 2.130 12.079 1.902 787 HG21 ILE 93 1HG2 ILE 93 1.221 11.882 -1.794 788 HG22 ILE 93 2HG2 ILE 93 -0.229 12.874 -1.632 789 HG23 ILE 93 3HG2 ILE 93 -0.197 11.246 -0.960 790 HD11 ILE 93 3HD1 ILE 93 0.176 10.625 2.012 791 HD12 ILE 93 1HD1 ILE 93 1.674 9.699 1.875 792 HD13 ILE 93 2HD1 ILE 93 0.629 9.894 0.469 793 H THR 94 H THR 94 0.317 15.504 1.415 794 HA THR 94 HA THR 94 2.412 16.459 3.197 795 HB THR 94 HB THR 94 0.538 17.892 4.139 796 HG1 THR 94 HG1 THR 94 -1.303 16.805 3.692 797 HG21 THR 94 3HG2 THR 94 1.994 18.773 2.342 798 HG22 THR 94 1HG2 THR 94 0.342 19.372 2.170 799 HG23 THR 94 2HG2 THR 94 0.925 18.076 1.122 800 H LYS 95 H LYS 95 -0.095 14.052 3.201 801 HA LYS 95 HA LYS 95 0.412 13.327 5.980 802 HB2 LYS 95 2HB LYS 95 -1.380 15.049 6.110 803 HB3 LYS 95 1HB LYS 95 -2.369 14.117 4.997 804 HG2 LYS 95 2HG LYS 95 -2.586 12.313 6.637 805 HG3 LYS 95 1HG LYS 95 -1.496 13.153 7.744 806 HD2 LYS 95 2HD LYS 95 -4.220 14.182 6.827 807 HD3 LYS 95 1HD LYS 95 -3.893 13.406 8.377 808 HE2 LYS 95 2HE LYS 95 -2.369 15.249 8.993 809 HE3 LYS 95 1HE LYS 95 -2.656 16.019 7.432 810 HZ1 LYS 95 3HZ LYS 95 -3.981 17.015 9.168 811 HZ2 LYS 95 1HZ LYS 95 -4.711 15.530 9.516 812 HZ3 LYS 95 2HZ LYS 95 -4.974 16.273 8.022 813 H ASN 96 H ASN 96 0.169 11.178 6.314 814 HA ASN 96 HA ASN 96 -0.219 9.376 4.102 815 HB2 ASN 96 2HB ASN 96 1.467 9.000 5.915 816 HB3 ASN 96 1HB ASN 96 0.172 8.825 7.084 817 HD21 ASN 96 1HD2 ASN 96 2.331 6.993 6.274 818 HD22 ASN 96 2HD2 ASN 96 1.558 5.524 5.813 819 H VAL 97 H VAL 97 -2.235 8.943 3.396 820 HA VAL 97 HA VAL 97 -4.599 9.400 5.009 821 HB VAL 97 HB VAL 97 -5.868 8.858 2.940 822 HG11 VAL 97 1HG1 VAL 97 -5.060 11.174 3.272 823 HG12 VAL 97 2HG1 VAL 97 -5.071 10.757 1.557 824 HG13 VAL 97 3HG1 VAL 97 -3.546 10.777 2.447 825 HG21 VAL 97 3HG2 VAL 97 -4.688 8.347 0.814 826 HG22 VAL 97 1HG2 VAL 97 -4.410 7.082 2.015 827 HG23 VAL 97 2HG2 VAL 97 -3.150 8.272 1.679 828 H ALA 98 H ALA 98 -2.568 6.779 4.809 829 HA ALA 98 HA ALA 98 -4.681 4.807 5.533 830 HB1 ALA 98 3HB ALA 98 -3.043 3.057 4.985 831 HB2 ALA 98 1HB ALA 98 -1.824 4.280 4.612 832 HB3 ALA 98 2HB ALA 98 -3.270 4.133 3.607 833 H ALA 99 H ALA 99 -2.725 6.960 7.010 834 HA ALA 99 HA ALA 99 -1.261 5.463 8.951 835 HB1 ALA 99 3HB ALA 99 -0.705 7.804 8.392 836 HB2 ALA 99 1HB ALA 99 -0.967 7.600 10.129 837 HB3 ALA 99 2HB ALA 99 -2.217 8.344 9.124 838 H LYS 100 H LYS 100 -4.581 6.592 8.796 839 HA LYS 100 HA LYS 100 -5.135 5.892 11.608 840 HB2 LYS 100 2HB LYS 100 -7.074 7.007 9.540 841 HB3 LYS 100 1HB LYS 100 -7.294 6.954 11.288 842 HG2 LYS 100 2HG LYS 100 -5.334 8.675 9.734 843 HG3 LYS 100 1HG LYS 100 -6.776 9.220 10.596 844 HD2 LYS 100 2HD LYS 100 -5.741 8.598 12.756 845 HD3 LYS 100 1HD LYS 100 -4.318 7.975 11.915 846 HE2 LYS 100 2HE LYS 100 -3.874 10.265 11.036 847 HE3 LYS 100 1HE LYS 100 -5.253 10.866 11.954 848 HZ1 LYS 100 3HZ LYS 100 -4.161 10.282 13.977 849 HZ2 LYS 100 1HZ LYS 100 -3.109 11.219 13.043 850 HZ3 LYS 100 2HZ LYS 100 -2.890 9.548 13.145 851 H THR 101 H THR 101 -4.806 4.225 8.845 852 HA THR 101 HA THR 101 -7.023 2.329 9.237 853 HB THR 101 HB THR 101 -4.956 2.465 6.981 854 HG1 THR 101 HG1 THR 101 -7.649 2.987 6.494 855 HG21 THR 101 3HG2 THR 101 -5.833 0.167 7.282 856 HG22 THR 101 1HG2 THR 101 -6.470 0.881 5.799 857 HG23 THR 101 2HG2 THR 101 -7.489 0.781 7.237 858 H LYS 102 H LYS 102 -6.528 0.934 10.820 859 HA LYS 102 HA LYS 102 -3.944 -0.516 10.788 860 HB2 LYS 102 2HB LYS 102 -4.131 -0.780 13.242 861 HB3 LYS 102 1HB LYS 102 -4.035 0.920 12.788 862 HG2 LYS 102 2HG LYS 102 -6.422 1.213 13.169 863 HG3 LYS 102 1HG LYS 102 -6.627 -0.518 13.450 864 HD2 LYS 102 2HD LYS 102 -5.168 -0.338 15.467 865 HD3 LYS 102 1HD LYS 102 -5.043 1.407 15.201 866 HE2 LYS 102 2HE LYS 102 -6.734 0.857 16.920 867 HE3 LYS 102 1HE LYS 102 -7.470 1.647 15.525 868 HZ1 LYS 102 3HZ LYS 102 -8.163 -0.554 14.730 869 HZ2 LYS 102 1HZ LYS 102 -8.797 -0.205 16.255 870 HZ3 LYS 102 2HZ LYS 102 -7.498 -1.269 16.111 871 H LEU 103 H LEU 103 -4.190 -2.697 11.914 872 HA LEU 103 HA LEU 103 -6.130 -4.351 10.700 873 HB2 LEU 103 2HB LEU 103 -3.943 -5.194 11.410 874 HB3 LEU 103 1HB LEU 103 -4.300 -4.828 13.084 875 HG LEU 103 HG LEU 103 -6.027 -6.624 13.116 876 HD11 LEU 103 1HD1 LEU 103 -5.127 -7.256 10.290 877 HD12 LEU 103 2HD1 LEU 103 -6.699 -6.615 10.768 878 HD13 LEU 103 3HD1 LEU 103 -6.222 -8.231 11.275 879 HD21 LEU 103 3HD2 LEU 103 -4.486 -8.546 13.064 880 HD22 LEU 103 1HD2 LEU 103 -3.736 -7.147 13.831 881 HD23 LEU 103 2HD2 LEU 103 -3.298 -7.586 12.179 882 HA PRO 104 HA PRO 104 -9.712 -3.885 13.635 883 HB2 PRO 104 2HB PRO 104 -10.281 -6.532 12.281 884 HB3 PRO 104 1HB PRO 104 -11.385 -5.195 12.642 885 HG2 PRO 104 2HG PRO 104 -10.500 -5.488 10.164 886 HG3 PRO 104 1HG PRO 104 -10.550 -3.859 10.878 887 HD2 PRO 104 2HD PRO 104 -8.177 -5.684 10.475 888 HD3 PRO 104 1HD PRO 104 -8.299 -3.924 10.246 889 H LYS 105 H LYS 105 -10.866 -5.704 15.090 890 HA LYS 105 HA LYS 105 -9.099 -6.353 17.146 891 HB2 LYS 105 2HB LYS 105 -11.888 -7.433 16.580 892 HB3 LYS 105 1HB LYS 105 -11.007 -7.774 18.067 893 HG2 LYS 105 2HG LYS 105 -10.949 -5.346 18.580 894 HG3 LYS 105 1HG LYS 105 -11.865 -5.021 17.105 895 HD2 LYS 105 2HD LYS 105 -12.858 -6.743 19.419 896 HD3 LYS 105 1HD LYS 105 -13.274 -5.042 19.196 897 HE2 LYS 105 2HE LYS 105 -13.920 -7.246 17.197 898 HE3 LYS 105 1HE LYS 105 -15.048 -6.618 18.399 899 HZ1 LYS 105 3HZ LYS 105 -14.934 -4.465 17.369 900 HZ2 LYS 105 1HZ LYS 105 -15.336 -5.617 16.199 901 HZ3 LYS 105 2HZ LYS 105 -13.767 -4.995 16.272 902 H ALA 106 H ALA 106 -7.368 -7.484 16.410 903 HA ALA 106 HA ALA 106 -7.259 -10.285 16.470 904 HB1 ALA 106 3HB ALA 106 -7.061 -9.102 13.663 905 HB2 ALA 106 1HB ALA 106 -8.341 -10.175 14.238 906 HB3 ALA 106 2HB ALA 106 -6.686 -10.768 14.108 907 H ASP 107 H ASP 107 -4.978 -11.010 16.197 908 HA ASP 107 HA ASP 107 -3.061 -8.755 16.486 909 HB2 ASP 107 2HB ASP 107 -3.662 -10.468 18.440 910 HB3 ASP 107 1HB ASP 107 -2.572 -11.549 17.578 911 H LYS 108 H LYS 108 -0.766 -10.685 16.325 912 HA LYS 108 HA LYS 108 -0.403 -10.516 13.430 913 HB2 LYS 108 2HB LYS 108 1.491 -10.712 15.804 914 HB3 LYS 108 1HB LYS 108 2.068 -10.918 14.160 915 HG2 LYS 108 2HG LYS 108 2.524 -8.662 14.994 916 HG3 LYS 108 1HG LYS 108 1.440 -8.622 13.607 917 HD2 LYS 108 2HD LYS 108 -0.455 -8.100 14.984 918 HD3 LYS 108 1HD LYS 108 0.428 -8.457 16.470 919 HE2 LYS 108 2HE LYS 108 1.722 -6.461 16.293 920 HE3 LYS 108 1HE LYS 108 1.262 -6.218 14.606 921 HZ1 LYS 108 3HZ LYS 108 -0.976 -5.766 15.283 922 HZ2 LYS 108 1HZ LYS 108 0.084 -4.737 16.104 923 HZ3 LYS 108 2HZ LYS 108 -0.596 -6.057 16.905 924 H GLU 109 H GLU 109 1.584 -12.277 12.975 925 HA GLU 109 HA GLU 109 0.287 -14.912 13.078 926 HB2 GLU 109 2HB GLU 109 2.665 -13.965 11.408 927 HB3 GLU 109 1HB GLU 109 1.763 -15.458 11.186 928 HG2 GLU 109 2HG GLU 109 0.555 -12.699 10.844 929 HG3 GLU 109 1HG GLU 109 1.279 -13.631 9.523 930 H GLU 110 H GLU 110 0.971 -16.150 14.762 931 HA GLU 110 HA GLU 110 3.370 -16.165 16.139 932 HB2 GLU 110 2HB GLU 110 2.807 -18.412 16.910 933 HB3 GLU 110 1HB GLU 110 1.347 -17.434 16.849 934 HG2 GLU 110 2HG GLU 110 2.152 -19.518 14.772 935 HG3 GLU 110 1HG GLU 110 0.993 -19.777 16.076 936 H LEU 111 H LEU 111 2.742 -17.396 12.941 937 HA LEU 111 HA LEU 111 5.204 -18.884 12.658 938 HB2 LEU 111 2HB LEU 111 3.331 -17.812 10.501 939 HB3 LEU 111 1HB LEU 111 4.616 -18.988 10.256 940 HG LEU 111 HG LEU 111 2.053 -19.415 11.848 941 HD11 LEU 111 1HD1 LEU 111 2.974 -20.651 9.234 942 HD12 LEU 111 2HD1 LEU 111 1.694 -19.448 9.437 943 HD13 LEU 111 3HD1 LEU 111 1.498 -21.062 10.118 944 HD21 LEU 111 3HD2 LEU 111 4.340 -21.372 11.415 945 HD22 LEU 111 1HD2 LEU 111 2.783 -21.752 12.156 946 HD23 LEU 111 2HD2 LEU 111 3.878 -20.623 12.946 947 H GLU 112 H GLU 112 3.996 -15.792 11.283 948 HA GLU 112 HA GLU 112 6.671 -15.131 10.280 949 HB2 GLU 112 2HB GLU 112 4.025 -13.668 9.878 950 HB3 GLU 112 1HB GLU 112 5.545 -13.311 9.053 951 HG2 GLU 112 2HG GLU 112 5.475 -15.559 8.002 952 HG3 GLU 112 1HG GLU 112 3.930 -15.869 8.798 953 H HIS 113 H HIS 113 7.986 -14.116 11.614 954 HA HIS 113 HA HIS 113 7.105 -12.532 13.860 955 HB2 HIS 113 2HB HIS 113 9.551 -12.285 14.352 956 HB3 HIS 113 1HB HIS 113 8.998 -13.942 14.246 957 HD1 HIS 113 HD1 HIS 113 11.712 -11.863 13.213 958 HD2 HIS 113 HD2 HIS 113 9.729 -15.125 11.579 959 HE1 HIS 113 HE1 HIS 113 13.310 -12.854 11.551 960 HE2 HIS 113 HE2 HIS 113 12.052 -14.759 10.504 961 H HIS 114 H HIS 114 9.067 -10.515 14.011 962 HA HIS 114 HA HIS 114 9.410 -8.329 13.603 963 HB2 HIS 114 2HB HIS 114 8.345 -8.793 10.771 964 HB3 HIS 114 1HB HIS 114 9.110 -7.312 11.333 965 HD1 HIS 114 HD1 HIS 114 11.682 -7.323 11.570 966 HD2 HIS 114 HD2 HIS 114 10.109 -10.927 10.260 967 HE1 HIS 114 HE1 HIS 114 13.649 -8.652 10.758 968 HE2 HIS 114 HE2 HIS 114 12.635 -10.746 9.779 969 H HIS 115 H HIS 115 7.420 -8.949 15.113 970 HA HIS 115 HA HIS 115 4.831 -7.937 14.273 971 HB2 HIS 115 2HB HIS 115 5.781 -8.836 17.035 972 HB3 HIS 115 1HB HIS 115 4.111 -8.535 16.565 973 HD1 HIS 115 HD1 HIS 115 4.804 -11.211 17.727 974 HD2 HIS 115 HD2 HIS 115 4.930 -10.438 13.655 975 HE1 HIS 115 HE1 HIS 115 4.567 -13.442 16.621 976 HE2 HIS 115 HE2 HIS 115 4.749 -12.961 14.166 977 H HIS 116 H HIS 116 4.774 -5.764 14.009 978 HA HIS 116 HA HIS 116 6.117 -3.916 15.794 979 HB2 HIS 116 2HB HIS 116 4.183 -3.384 13.486 980 HB3 HIS 116 1HB HIS 116 5.149 -2.163 14.321 981 HD1 HIS 116 HD1 HIS 116 7.850 -2.639 14.172 982 HD2 HIS 116 HD2 HIS 116 5.449 -4.467 11.317 983 HE1 HIS 116 HE1 HIS 116 9.408 -3.353 12.345 984 HE2 HIS 116 HE2 HIS 116 7.912 -4.283 10.551 985 H HIS 117 H HIS 117 5.303 -3.599 17.749 986 HA HIS 117 HA HIS 117 2.628 -2.540 18.101 987 HB2 HIS 117 2HB HIS 117 1.954 -4.127 19.876 988 HB3 HIS 117 1HB HIS 117 2.189 -4.973 18.353 989 HD1 HIS 117 HD1 HIS 117 3.231 -4.993 21.869 990 HD2 HIS 117 HD2 HIS 117 4.666 -6.540 18.288 991 HE1 HIS 117 HE1 HIS 117 4.870 -6.787 22.509 992 HE2 HIS 117 HE2 HIS 117 5.600 -7.809 20.333 993 H HIS 118 H HIS 118 2.567 -1.131 19.820 994 HA HIS 118 HA HIS 118 4.886 -0.250 21.148 995 HB2 HIS 118 2HB HIS 118 3.046 1.282 20.884 996 HB3 HIS 118 1HB HIS 118 1.926 0.199 21.698 997 HD1 HIS 118 HD1 HIS 118 5.142 2.047 22.626 998 HD2 HIS 118 HD2 HIS 118 1.464 0.977 24.234 999 HE1 HIS 118 HE1 HIS 118 5.075 3.087 24.911 1000 HE2 HIS 118 HE2 HIS 118 2.777 2.566 25.789 Start of MODEL 2 1 H1 MET 1 1H MET 1 7.848 18.752 -2.845 2 H2 MET 1 2H MET 1 6.813 19.248 -1.602 3 H3 MET 1 3H MET 1 7.454 20.385 -2.674 4 HA MET 1 HA MET 1 5.637 18.194 -3.415 5 HB2 MET 1 2HB MET 1 4.497 19.894 -2.014 6 HB3 MET 1 1HB MET 1 5.053 21.172 -3.086 7 HG2 MET 1 2HG MET 1 2.696 20.618 -3.487 8 HG3 MET 1 1HG MET 1 3.683 20.269 -4.906 9 HE1 MET 1 3HE MET 1 1.604 18.750 -1.921 10 HE2 MET 1 1HE MET 1 3.222 18.144 -1.550 11 HE3 MET 1 2HE MET 1 1.960 17.030 -2.075 12 H GLU 2 H GLU 2 5.026 18.168 -5.595 13 HA GLU 2 HA GLU 2 6.228 19.907 -7.579 14 HB2 GLU 2 2HB GLU 2 7.526 18.098 -8.685 15 HB3 GLU 2 1HB GLU 2 8.111 18.376 -7.047 16 HG2 GLU 2 2HG GLU 2 6.781 16.395 -6.290 17 HG3 GLU 2 1HG GLU 2 6.330 16.095 -7.970 18 HA PRO 3 HA PRO 3 2.650 18.425 -10.007 19 HB2 PRO 3 2HB PRO 3 3.744 17.746 -12.486 20 HB3 PRO 3 1HB PRO 3 3.333 19.393 -11.993 21 HG2 PRO 3 2HG PRO 3 6.008 18.001 -11.930 22 HG3 PRO 3 1HG PRO 3 5.618 19.654 -12.458 23 HD2 PRO 3 2HD PRO 3 6.686 19.213 -10.038 24 HD3 PRO 3 1HD PRO 3 5.429 20.454 -10.254 25 H SER 4 H SER 4 2.116 16.617 -8.840 26 HA SER 4 HA SER 4 3.596 14.157 -8.904 27 HB2 SER 4 2HB SER 4 1.677 13.311 -7.475 28 HB3 SER 4 1HB SER 4 2.471 14.755 -6.851 29 HG SER 4 HG SER 4 0.356 15.283 -8.530 30 H LYS 5 H LYS 5 3.620 13.712 -11.132 31 HA LYS 5 HA LYS 5 1.257 12.911 -12.608 32 HB2 LYS 5 2HB LYS 5 4.230 12.501 -13.176 33 HB3 LYS 5 1HB LYS 5 2.932 12.153 -14.317 34 HG2 LYS 5 2HG LYS 5 3.617 14.902 -13.207 35 HG3 LYS 5 1HG LYS 5 4.101 14.292 -14.793 36 HD2 LYS 5 2HD LYS 5 1.231 14.751 -13.859 37 HD3 LYS 5 1HD LYS 5 2.141 15.793 -14.955 38 HE2 LYS 5 2HE LYS 5 2.266 13.928 -16.593 39 HE3 LYS 5 1HE LYS 5 1.339 12.908 -15.493 40 HZ1 LYS 5 3HZ LYS 5 -0.520 14.397 -15.698 41 HZ2 LYS 5 1HZ LYS 5 -0.025 13.878 -17.229 42 HZ3 LYS 5 2HZ LYS 5 0.369 15.430 -16.698 43 H LEU 6 H LEU 6 3.648 11.514 -10.569 44 HA LEU 6 HA LEU 6 3.679 8.829 -11.342 45 HB2 LEU 6 2HB LEU 6 5.354 10.093 -9.929 46 HB3 LEU 6 1HB LEU 6 4.215 10.031 -8.595 47 HG LEU 6 HG LEU 6 4.398 7.540 -8.570 48 HD11 LEU 6 1HD1 LEU 6 6.546 7.911 -10.691 49 HD12 LEU 6 2HD1 LEU 6 4.976 7.136 -10.926 50 HD13 LEU 6 3HD1 LEU 6 6.160 6.406 -9.848 51 HD21 LEU 6 3HD2 LEU 6 7.051 9.008 -8.335 52 HD22 LEU 6 1HD2 LEU 6 6.665 7.444 -7.610 53 HD23 LEU 6 2HD2 LEU 6 5.810 8.890 -7.084 54 H SER 7 H SER 7 1.827 7.649 -11.455 55 HA SER 7 HA SER 7 -0.316 7.704 -9.561 56 HB2 SER 7 2HB SER 7 -1.049 5.576 -10.728 57 HB3 SER 7 1HB SER 7 -0.784 6.931 -11.824 58 HG SER 7 HG SER 7 0.128 4.823 -12.434 59 H TYR 8 H TYR 8 -0.881 5.917 -8.099 60 HA TYR 8 HA TYR 8 1.224 5.473 -6.293 61 HB2 TYR 8 2HB TYR 8 -1.152 5.703 -5.617 62 HB3 TYR 8 1HB TYR 8 -1.511 4.138 -6.340 63 HD1 TYR 8 HD1 TYR 8 1.346 5.231 -4.143 64 HD2 TYR 8 HD2 TYR 8 -2.066 2.685 -4.518 65 HE1 TYR 8 HE1 TYR 8 1.909 4.154 -2.008 66 HE2 TYR 8 HE2 TYR 8 -1.499 1.621 -2.373 67 HH TYR 8 HH TYR 8 0.858 2.889 -0.242 68 H GLY 9 H GLY 9 -0.086 3.400 -8.818 69 HA2 GLY 9 2HA GLY 9 1.088 0.922 -8.006 70 HA3 GLY 9 1HA GLY 9 0.523 1.325 -9.620 71 H GLU 10 H GLU 10 2.126 3.504 -10.211 72 HA GLU 10 HA GLU 10 4.625 2.298 -10.952 73 HB2 GLU 10 2HB GLU 10 3.658 5.183 -11.155 74 HB3 GLU 10 1HB GLU 10 5.140 4.573 -11.888 75 HG2 GLU 10 2HG GLU 10 2.322 3.689 -12.563 76 HG3 GLU 10 1HG GLU 10 3.329 4.761 -13.530 77 H TYR 11 H TYR 11 3.512 4.398 -8.397 78 HA TYR 11 HA TYR 11 6.019 5.239 -7.364 79 HB2 TYR 11 2HB TYR 11 3.998 6.468 -6.718 80 HB3 TYR 11 1HB TYR 11 3.293 5.020 -6.002 81 HD1 TYR 11 HD1 TYR 11 6.389 7.142 -5.701 82 HD2 TYR 11 HD2 TYR 11 3.492 4.771 -3.642 83 HE1 TYR 11 HE1 TYR 11 7.471 7.664 -3.571 84 HE2 TYR 11 HE2 TYR 11 4.585 5.311 -1.510 85 HH TYR 11 HH TYR 11 6.974 7.728 -1.242 86 H LEU 12 H LEU 12 3.904 2.465 -6.727 87 HA LEU 12 HA LEU 12 5.417 1.374 -4.577 88 HB2 LEU 12 2HB LEU 12 3.340 0.174 -6.427 89 HB3 LEU 12 1HB LEU 12 4.090 -0.758 -5.136 90 HG LEU 12 HG LEU 12 2.520 1.812 -4.676 91 HD11 LEU 12 1HD1 LEU 12 0.710 0.390 -3.825 92 HD12 LEU 12 2HD1 LEU 12 1.594 -1.050 -4.341 93 HD13 LEU 12 3HD1 LEU 12 1.019 0.113 -5.538 94 HD21 LEU 12 3HD2 LEU 12 3.567 -0.263 -2.716 95 HD22 LEU 12 1HD2 LEU 12 2.537 1.112 -2.307 96 HD23 LEU 12 2HD2 LEU 12 4.163 1.386 -2.920 97 H GLU 13 H GLU 13 5.704 1.109 -8.069 98 HA GLU 13 HA GLU 13 7.542 -1.097 -8.103 99 HB2 GLU 13 2HB GLU 13 7.097 1.125 -10.149 100 HB3 GLU 13 1HB GLU 13 8.042 -0.332 -10.440 101 HG2 GLU 13 2HG GLU 13 5.061 -0.202 -9.896 102 HG3 GLU 13 1HG GLU 13 5.826 -0.511 -11.452 103 H SER 14 H SER 14 7.893 2.432 -8.109 104 HA SER 14 HA SER 14 10.743 2.508 -8.330 105 HB2 SER 14 2HB SER 14 9.258 4.352 -9.101 106 HB3 SER 14 1HB SER 14 8.797 4.675 -7.431 107 HG SER 14 HG SER 14 11.380 4.932 -8.588 108 H TRP 15 H TRP 15 8.479 2.881 -5.647 109 HA TRP 15 HA TRP 15 10.255 3.328 -3.526 110 HB2 TRP 15 2HB TRP 15 7.893 3.771 -3.183 111 HB3 TRP 15 1HB TRP 15 7.452 2.117 -3.585 112 HD1 TRP 15 HD1 TRP 15 9.422 3.988 -0.777 113 HE1 TRP 15 HE1 TRP 15 9.012 2.743 1.436 114 HE3 TRP 15 HE3 TRP 15 6.635 0.075 -2.537 115 HZ2 TRP 15 HZ2 TRP 15 7.707 0.419 2.320 116 HZ3 TRP 15 HZ3 TRP 15 5.851 -1.625 -0.936 117 HH2 TRP 15 HH2 TRP 15 6.378 -1.455 1.450 118 H PHE 16 H PHE 16 8.920 0.333 -4.914 119 HA PHE 16 HA PHE 16 9.997 -1.492 -3.064 120 HB2 PHE 16 2HB PHE 16 8.193 -2.146 -4.612 121 HB3 PHE 16 1HB PHE 16 9.274 -1.958 -5.992 122 HD1 PHE 16 HD2 PHE 16 8.914 -3.852 -2.785 123 HD2 PHE 16 HD1 PHE 16 10.503 -3.845 -6.752 124 HE1 PHE 16 HE2 PHE 16 9.682 -6.157 -2.495 125 HE2 PHE 16 HE1 PHE 16 11.277 -6.153 -6.445 126 HZ PHE 16 HZ PHE 16 10.867 -7.313 -4.315 127 H ASN 17 H ASN 17 11.312 -0.136 -6.070 128 HA ASN 17 HA ASN 17 13.462 -1.804 -6.555 129 HB2 ASN 17 2HB ASN 17 12.477 0.128 -7.953 130 HB3 ASN 17 1HB ASN 17 13.457 1.211 -6.983 131 HD21 ASN 17 1HD2 ASN 17 13.456 0.587 -9.847 132 HD22 ASN 17 2HD2 ASN 17 15.070 0.122 -10.226 133 H THR 18 H THR 18 13.408 1.206 -4.610 134 HA THR 18 HA THR 18 16.086 0.848 -3.601 135 HB THR 18 HB THR 18 15.249 3.135 -3.917 136 HG1 THR 18 HG1 THR 18 15.939 3.952 -1.934 137 HG21 THR 18 3HG2 THR 18 13.537 4.134 -2.447 138 HG22 THR 18 1HG2 THR 18 13.238 2.556 -1.710 139 HG23 THR 18 2HG2 THR 18 12.849 2.825 -3.409 140 H LYS 19 H LYS 19 12.880 -0.145 -2.576 141 HA LYS 19 HA LYS 19 13.359 -0.241 0.240 142 HB2 LYS 19 2HB LYS 19 11.060 -0.082 -0.884 143 HB3 LYS 19 1HB LYS 19 11.202 -1.791 -1.261 144 HG2 LYS 19 2HG LYS 19 9.824 -1.472 0.728 145 HG3 LYS 19 1HG LYS 19 11.321 -2.316 1.156 146 HD2 LYS 19 2HD LYS 19 12.285 -0.155 1.944 147 HD3 LYS 19 1HD LYS 19 10.763 0.653 1.554 148 HE2 LYS 19 2HE LYS 19 9.598 -0.700 3.243 149 HE3 LYS 19 1HE LYS 19 11.090 -1.579 3.593 150 HZ1 LYS 19 3HZ LYS 19 12.085 0.503 4.327 151 HZ2 LYS 19 1HZ LYS 19 10.690 0.140 5.215 152 HZ3 LYS 19 2HZ LYS 19 10.638 1.324 4.010 153 H ARG 20 H ARG 20 13.905 -2.478 -2.384 154 HA ARG 20 HA ARG 20 14.207 -4.927 -1.099 155 HB2 ARG 20 2HB ARG 20 15.823 -3.821 -3.424 156 HB3 ARG 20 1HB ARG 20 15.783 -5.520 -2.956 157 HG2 ARG 20 2HG ARG 20 13.390 -5.628 -3.486 158 HG3 ARG 20 1HG ARG 20 13.386 -3.915 -3.894 159 HD2 ARG 20 2HD ARG 20 14.945 -6.078 -5.341 160 HD3 ARG 20 1HD ARG 20 13.463 -5.308 -5.915 161 HE ARG 20 HE ARG 20 15.116 -3.205 -5.547 162 HH11 ARG 20 1HH1 ARG 20 15.561 -6.204 -7.295 163 HH12 ARG 20 2HH1 ARG 20 16.617 -5.501 -8.476 164 HH21 ARG 20 1HH2 ARG 20 16.491 -2.280 -7.097 165 HH22 ARG 20 2HH2 ARG 20 17.154 -3.270 -8.359 166 H HIS 21 H HIS 21 16.304 -2.159 -0.879 167 HA HIS 21 HA HIS 21 18.584 -3.545 0.283 168 HB2 HIS 21 2HB HIS 21 17.950 -0.554 0.176 169 HB3 HIS 21 1HB HIS 21 19.492 -1.254 0.658 170 HD1 HIS 21 HD1 HIS 21 21.178 -1.533 -1.166 171 HD2 HIS 21 HD2 HIS 21 17.322 -1.160 -2.666 172 HE1 HIS 21 HE1 HIS 21 21.431 -1.400 -3.658 173 HE2 HIS 21 HE2 HIS 21 19.078 -1.420 -4.530 174 H SER 22 H SER 22 15.678 -1.980 1.411 175 HA SER 22 HA SER 22 16.487 -1.631 4.174 176 HB2 SER 22 2HB SER 22 14.991 0.027 3.237 177 HB3 SER 22 1HB SER 22 13.858 -1.207 2.691 178 HG SER 22 HG SER 22 14.489 -0.799 5.424 179 H VAL 23 H VAL 23 14.416 -3.785 2.298 180 HA VAL 23 HA VAL 23 13.893 -5.521 4.635 181 HB VAL 23 HB VAL 23 11.986 -6.445 3.402 182 HG11 VAL 23 1HG1 VAL 23 10.490 -4.476 3.332 183 HG12 VAL 23 2HG1 VAL 23 11.889 -3.398 3.367 184 HG13 VAL 23 3HG1 VAL 23 11.539 -4.439 4.750 185 HG21 VAL 23 3HG2 VAL 23 11.245 -5.581 1.197 186 HG22 VAL 23 1HG2 VAL 23 12.850 -6.307 1.086 187 HG23 VAL 23 2HG2 VAL 23 12.677 -4.553 1.116 188 H GLY 24 H GLY 24 14.007 -7.872 4.237 189 HA2 GLY 24 2HA GLY 24 16.401 -8.673 2.915 190 HA3 GLY 24 1HA GLY 24 15.207 -9.742 3.641 191 H ILE 25 H ILE 25 16.500 -10.496 1.336 192 HA ILE 25 HA ILE 25 15.271 -9.866 -1.115 193 HB ILE 25 HB ILE 25 16.576 -12.515 -0.315 194 HG12 ILE 25 2HG1 ILE 25 18.136 -10.618 -0.011 195 HG13 ILE 25 1HG1 ILE 25 18.653 -11.631 -1.354 196 HG21 ILE 25 1HG2 ILE 25 16.015 -11.435 -3.108 197 HG22 ILE 25 2HG2 ILE 25 15.252 -12.832 -2.347 198 HG23 ILE 25 3HG2 ILE 25 16.967 -12.880 -2.748 199 HD11 ILE 25 3HD1 ILE 25 17.252 -8.965 -1.547 200 HD12 ILE 25 1HD1 ILE 25 17.694 -9.986 -2.921 201 HD13 ILE 25 2HD1 ILE 25 18.947 -9.311 -1.884 202 H GLN 26 H GLN 26 14.561 -12.494 1.199 203 HA GLN 26 HA GLN 26 12.430 -13.665 -0.272 204 HB2 GLN 26 2HB GLN 26 11.844 -14.886 1.788 205 HB3 GLN 26 1HB GLN 26 13.569 -14.946 1.485 206 HG2 GLN 26 2HG GLN 26 13.964 -13.278 3.239 207 HG3 GLN 26 1HG GLN 26 12.232 -13.128 3.507 208 HE21 GLN 26 1HE2 GLN 26 13.947 -16.186 2.974 209 HE22 GLN 26 2HE2 GLN 26 13.672 -16.820 4.556 210 H THR 27 H THR 27 12.471 -11.339 2.404 211 HA THR 27 HA THR 27 9.755 -10.936 2.804 212 HB THR 27 HB THR 27 11.927 -8.804 3.068 213 HG1 THR 27 HG1 THR 27 11.104 -10.884 4.828 214 HG21 THR 27 3HG2 THR 27 10.495 -7.929 4.903 215 HG22 THR 27 1HG2 THR 27 9.284 -9.163 4.554 216 HG23 THR 27 2HG2 THR 27 9.629 -7.904 3.365 217 H ALA 28 H ALA 28 11.957 -9.381 0.521 218 HA ALA 28 HA ALA 28 10.310 -7.272 -0.376 219 HB1 ALA 28 3HB ALA 28 12.759 -7.236 -0.655 220 HB2 ALA 28 1HB ALA 28 11.959 -7.047 -2.217 221 HB3 ALA 28 2HB ALA 28 12.670 -8.599 -1.770 222 H LYS 29 H LYS 29 11.026 -10.482 -1.709 223 HA LYS 29 HA LYS 29 9.482 -10.286 -4.068 224 HB2 LYS 29 2HB LYS 29 11.340 -11.938 -3.578 225 HB3 LYS 29 1HB LYS 29 10.226 -12.835 -2.561 226 HG2 LYS 29 2HG LYS 29 9.527 -12.317 -5.459 227 HG3 LYS 29 1HG LYS 29 10.695 -13.576 -5.068 228 HD2 LYS 29 2HD LYS 29 7.817 -13.446 -4.075 229 HD3 LYS 29 1HD LYS 29 8.416 -14.489 -5.366 230 HE2 LYS 29 2HE LYS 29 9.924 -15.605 -3.711 231 HE3 LYS 29 1HE LYS 29 9.224 -14.605 -2.437 232 HZ1 LYS 29 3HZ LYS 29 7.068 -15.586 -2.934 233 HZ2 LYS 29 1HZ LYS 29 8.200 -16.759 -2.482 234 HZ3 LYS 29 2HZ LYS 29 7.774 -16.575 -4.105 235 H VAL 30 H VAL 30 8.671 -11.234 -0.777 236 HA VAL 30 HA VAL 30 6.030 -12.237 -1.330 237 HB VAL 30 HB VAL 30 7.264 -11.346 1.323 238 HG11 VAL 30 1HG1 VAL 30 5.451 -12.630 2.422 239 HG12 VAL 30 2HG1 VAL 30 4.727 -12.963 0.846 240 HG13 VAL 30 3HG1 VAL 30 4.801 -11.309 1.450 241 HG21 VAL 30 3HG2 VAL 30 8.460 -13.249 0.287 242 HG22 VAL 30 1HG2 VAL 30 6.946 -14.147 0.164 243 HG23 VAL 30 2HG2 VAL 30 7.618 -13.753 1.750 244 H LEU 31 H LEU 31 7.358 -9.104 -0.247 245 HA LEU 31 HA LEU 31 4.896 -7.806 0.334 246 HB2 LEU 31 2HB LEU 31 7.548 -6.522 -0.452 247 HB3 LEU 31 1HB LEU 31 6.167 -5.665 0.214 248 HG LEU 31 HG LEU 31 7.982 -7.636 1.639 249 HD11 LEU 31 1HD1 LEU 31 8.861 -5.362 1.456 250 HD12 LEU 31 2HD1 LEU 31 8.486 -5.769 3.128 251 HD13 LEU 31 3HD1 LEU 31 7.398 -4.721 2.214 252 HD21 LEU 31 3HD2 LEU 31 6.602 -7.368 3.660 253 HD22 LEU 31 1HD2 LEU 31 5.707 -8.153 2.361 254 HD23 LEU 31 2HD2 LEU 31 5.413 -6.455 2.731 255 H LYS 32 H LYS 32 6.918 -7.999 -2.573 256 HA LYS 32 HA LYS 32 5.304 -6.222 -4.161 257 HB2 LYS 32 2HB LYS 32 7.773 -6.740 -4.585 258 HB3 LYS 32 1HB LYS 32 7.267 -8.301 -5.220 259 HG2 LYS 32 2HG LYS 32 5.853 -7.057 -6.912 260 HG3 LYS 32 1HG LYS 32 6.571 -5.557 -6.324 261 HD2 LYS 32 2HD LYS 32 8.830 -6.479 -6.964 262 HD3 LYS 32 1HD LYS 32 8.015 -7.871 -7.674 263 HE2 LYS 32 2HE LYS 32 8.585 -6.242 -9.406 264 HE3 LYS 32 1HE LYS 32 6.831 -6.346 -9.245 265 HZ1 LYS 32 3HZ LYS 32 8.576 -4.245 -8.091 266 HZ2 LYS 32 1HZ LYS 32 6.900 -4.342 -7.888 267 HZ3 LYS 32 2HZ LYS 32 7.551 -4.073 -9.421 268 H GLY 33 H GLY 33 5.407 -9.672 -3.520 269 HA2 GLY 33 2HA GLY 33 3.553 -10.620 -5.417 270 HA3 GLY 33 1HA GLY 33 3.836 -11.320 -3.827 271 H TYR 34 H TYR 34 3.120 -9.029 -2.297 272 HA TYR 34 HA TYR 34 0.241 -9.164 -2.280 273 HB2 TYR 34 2HB TYR 34 2.243 -7.576 -0.623 274 HB3 TYR 34 1HB TYR 34 0.500 -7.484 -0.374 275 HD1 TYR 34 HD2 TYR 34 -0.308 -10.333 -0.680 276 HD2 TYR 34 HD1 TYR 34 3.050 -8.634 1.351 277 HE1 TYR 34 HE2 TYR 34 -0.249 -12.259 0.834 278 HE2 TYR 34 HE1 TYR 34 3.093 -10.568 2.873 279 HH TYR 34 HH TYR 34 1.333 -13.421 2.269 280 H LEU 35 H LEU 35 2.702 -6.804 -3.289 281 HA LEU 35 HA LEU 35 0.975 -4.558 -3.487 282 HB2 LEU 35 2HB LEU 35 3.702 -5.115 -4.687 283 HB3 LEU 35 1HB LEU 35 2.857 -3.599 -4.965 284 HG LEU 35 HG LEU 35 3.737 -4.650 -2.247 285 HD11 LEU 35 1HD1 LEU 35 5.358 -2.813 -2.235 286 HD12 LEU 35 2HD1 LEU 35 4.861 -2.342 -3.862 287 HD13 LEU 35 3HD1 LEU 35 5.647 -3.899 -3.595 288 HD21 LEU 35 3HD2 LEU 35 3.022 -2.439 -1.382 289 HD22 LEU 35 1HD2 LEU 35 1.675 -3.383 -2.015 290 HD23 LEU 35 2HD2 LEU 35 2.342 -2.052 -2.962 291 H ASN 36 H ASN 36 2.404 -6.582 -6.070 292 HA ASN 36 HA ASN 36 1.041 -5.293 -8.174 293 HB2 ASN 36 2HB ASN 36 2.304 -8.050 -8.185 294 HB3 ASN 36 1HB ASN 36 1.842 -7.136 -9.615 295 HD21 ASN 36 1HD2 ASN 36 2.870 -4.564 -8.396 296 HD22 ASN 36 2HD2 ASN 36 4.578 -4.676 -8.555 297 H SER 37 H SER 37 0.180 -8.068 -6.185 298 HA SER 37 HA SER 37 -1.900 -8.974 -8.002 299 HB2 SER 37 2HB SER 37 -0.506 -10.571 -6.672 300 HB3 SER 37 1HB SER 37 -1.260 -9.968 -5.195 301 HG SER 37 HG SER 37 -2.643 -11.128 -7.395 302 H ARG 38 H ARG 38 -1.739 -7.247 -4.892 303 HA ARG 38 HA ARG 38 -4.676 -7.193 -4.663 304 HB2 ARG 38 2HB ARG 38 -2.511 -6.466 -2.653 305 HB3 ARG 38 1HB ARG 38 -4.238 -6.294 -2.344 306 HG2 ARG 38 2HG ARG 38 -2.909 -8.949 -3.019 307 HG3 ARG 38 1HG ARG 38 -3.140 -8.365 -1.370 308 HD2 ARG 38 2HD ARG 38 -4.920 -9.930 -1.924 309 HD3 ARG 38 1HD ARG 38 -5.607 -8.313 -1.753 310 HE ARG 38 HE ARG 38 -4.963 -9.342 -4.450 311 HH11 ARG 38 1HH1 ARG 38 -7.433 -8.455 -2.105 312 HH12 ARG 38 2HH1 ARG 38 -8.699 -8.400 -3.283 313 HH21 ARG 38 1HH2 ARG 38 -6.647 -9.213 -5.996 314 HH22 ARG 38 2HH2 ARG 38 -8.256 -8.829 -5.472 315 H ILE 39 H ILE 39 -1.950 -4.831 -4.442 316 HA ILE 39 HA ILE 39 -3.876 -2.659 -4.219 317 HB ILE 39 HB ILE 39 -0.824 -2.511 -4.130 318 HG12 ILE 39 2HG1 ILE 39 -1.396 -1.962 -1.589 319 HG13 ILE 39 1HG1 ILE 39 -2.907 -2.797 -1.918 320 HG21 ILE 39 1HG2 ILE 39 -2.911 -0.397 -3.464 321 HG22 ILE 39 2HG2 ILE 39 -1.793 -0.376 -4.831 322 HG23 ILE 39 3HG2 ILE 39 -1.172 -0.240 -3.188 323 HD11 ILE 39 3HD1 ILE 39 -1.610 -4.816 -2.503 324 HD12 ILE 39 1HD1 ILE 39 -1.323 -4.256 -0.855 325 HD13 ILE 39 2HD1 ILE 39 -0.126 -3.943 -2.109 326 H ILE 40 H ILE 40 -1.372 -3.652 -6.602 327 HA ILE 40 HA ILE 40 -1.393 -1.356 -8.201 328 HB ILE 40 HB ILE 40 -0.339 -4.120 -8.552 329 HG12 ILE 40 2HG1 ILE 40 1.720 -2.886 -9.311 330 HG13 ILE 40 1HG1 ILE 40 0.836 -1.368 -9.182 331 HG21 ILE 40 1HG2 ILE 40 0.238 -3.896 -10.953 332 HG22 ILE 40 2HG2 ILE 40 -0.791 -2.465 -11.053 333 HG23 ILE 40 3HG2 ILE 40 -1.503 -4.034 -10.683 334 HD11 ILE 40 3HD1 ILE 40 2.266 -1.662 -7.290 335 HD12 ILE 40 1HD1 ILE 40 1.570 -3.244 -6.943 336 HD13 ILE 40 2HD1 ILE 40 0.591 -1.786 -6.753 337 HA PRO 41 HA PRO 41 -4.888 -3.192 -11.019 338 HB2 PRO 41 2HB PRO 41 -6.486 -5.209 -10.159 339 HB3 PRO 41 1HB PRO 41 -4.917 -5.529 -10.914 340 HG2 PRO 41 2HG PRO 41 -5.615 -5.432 -7.974 341 HG3 PRO 41 1HG PRO 41 -4.698 -6.673 -8.862 342 HD2 PRO 41 2HD PRO 41 -3.466 -4.696 -7.445 343 HD3 PRO 41 1HD PRO 41 -2.757 -5.374 -8.924 344 H SER 42 H SER 42 -5.186 -2.502 -7.650 345 HA SER 42 HA SER 42 -7.987 -1.558 -7.913 346 HB2 SER 42 2HB SER 42 -7.604 -3.227 -6.139 347 HB3 SER 42 1HB SER 42 -6.350 -2.216 -5.423 348 HG SER 42 HG SER 42 -8.562 -2.137 -4.497 349 H LEU 43 H LEU 43 -5.233 -0.530 -5.869 350 HA LEU 43 HA LEU 43 -6.057 2.271 -6.048 351 HB2 LEU 43 2HB LEU 43 -3.893 0.974 -4.353 352 HB3 LEU 43 1HB LEU 43 -4.517 2.605 -4.160 353 HG LEU 43 HG LEU 43 -6.130 0.056 -3.695 354 HD11 LEU 43 1HD1 LEU 43 -4.906 1.934 -1.647 355 HD12 LEU 43 2HD1 LEU 43 -4.382 0.286 -1.998 356 HD13 LEU 43 3HD1 LEU 43 -5.972 0.570 -1.296 357 HD21 LEU 43 3HD2 LEU 43 -6.872 2.954 -3.129 358 HD22 LEU 43 1HD2 LEU 43 -7.837 1.537 -2.705 359 HD23 LEU 43 2HD2 LEU 43 -7.557 1.935 -4.398 360 H GLY 44 H GLY 44 -3.914 0.228 -7.640 361 HA2 GLY 44 2HA GLY 44 -1.557 1.779 -7.888 362 HA3 GLY 44 1HA GLY 44 -2.039 0.447 -8.922 363 H ASN 45 H ASN 45 -4.426 1.488 -9.963 364 HA ASN 45 HA ASN 45 -3.542 3.240 -12.032 365 HB2 ASN 45 2HB ASN 45 -6.370 2.457 -11.204 366 HB3 ASN 45 1HB ASN 45 -5.946 3.267 -12.712 367 HD21 ASN 45 1HD2 ASN 45 -3.539 1.707 -13.209 368 HD22 ASN 45 2HD2 ASN 45 -4.070 0.135 -13.673 369 H ILE 46 H ILE 46 -4.993 3.741 -8.916 370 HA ILE 46 HA ILE 46 -5.884 6.441 -9.324 371 HB ILE 46 HB ILE 46 -5.348 4.929 -6.720 372 HG12 ILE 46 2HG1 ILE 46 -7.979 5.235 -8.261 373 HG13 ILE 46 1HG1 ILE 46 -7.013 3.765 -8.186 374 HG21 ILE 46 1HG2 ILE 46 -7.017 7.432 -7.175 375 HG22 ILE 46 2HG2 ILE 46 -5.453 7.363 -6.359 376 HG23 ILE 46 3HG2 ILE 46 -6.853 6.562 -5.647 377 HD11 ILE 46 3HD1 ILE 46 -7.435 3.646 -5.758 378 HD12 ILE 46 1HD1 ILE 46 -8.911 3.600 -6.721 379 HD13 ILE 46 2HD1 ILE 46 -8.455 5.081 -5.885 380 H LYS 47 H LYS 47 -4.728 8.301 -9.040 381 HA LYS 47 HA LYS 47 -1.899 8.295 -8.916 382 HB2 LYS 47 2HB LYS 47 -3.860 10.599 -8.546 383 HB3 LYS 47 1HB LYS 47 -2.123 10.791 -8.760 384 HG2 LYS 47 2HG LYS 47 -4.012 9.546 -10.794 385 HG3 LYS 47 1HG LYS 47 -3.400 11.203 -10.854 386 HD2 LYS 47 2HD LYS 47 -1.108 10.398 -11.144 387 HD3 LYS 47 1HD LYS 47 -1.619 8.728 -10.905 388 HE2 LYS 47 2HE LYS 47 -1.215 9.186 -13.274 389 HE3 LYS 47 1HE LYS 47 -2.921 8.830 -13.000 390 HZ1 LYS 47 3HZ LYS 47 -3.401 11.177 -13.085 391 HZ2 LYS 47 1HZ LYS 47 -2.588 10.709 -14.488 392 HZ3 LYS 47 2HZ LYS 47 -1.765 11.546 -13.275 393 H LEU 48 H LEU 48 -0.525 9.023 -7.286 394 HA LEU 48 HA LEU 48 -0.872 7.886 -4.791 395 HB2 LEU 48 2HB LEU 48 1.299 8.310 -5.835 396 HB3 LEU 48 1HB LEU 48 1.056 10.041 -5.721 397 HG LEU 48 HG LEU 48 1.241 9.925 -3.252 398 HD11 LEU 48 1HD1 LEU 48 1.769 6.969 -3.654 399 HD12 LEU 48 2HD1 LEU 48 0.353 7.684 -2.877 400 HD13 LEU 48 3HD1 LEU 48 1.941 7.857 -2.136 401 HD21 LEU 48 3HD2 LEU 48 3.641 9.428 -3.116 402 HD22 LEU 48 1HD2 LEU 48 3.276 10.322 -4.589 403 HD23 LEU 48 2HD2 LEU 48 3.578 8.584 -4.665 404 H ALA 49 H ALA 49 -1.293 11.282 -5.715 405 HA ALA 49 HA ALA 49 -1.795 12.342 -3.106 406 HB1 ALA 49 3HB ALA 49 -2.512 14.378 -4.305 407 HB2 ALA 49 1HB ALA 49 -2.506 13.485 -5.830 408 HB3 ALA 49 2HB ALA 49 -0.997 13.753 -4.958 409 H LYS 50 H LYS 50 -3.797 10.811 -5.507 410 HA LYS 50 HA LYS 50 -6.343 11.811 -4.587 411 HB2 LYS 50 2HB LYS 50 -5.646 9.601 -6.560 412 HB3 LYS 50 1HB LYS 50 -7.277 10.198 -6.267 413 HG2 LYS 50 2HG LYS 50 -4.965 11.817 -7.365 414 HG3 LYS 50 1HG LYS 50 -6.309 11.154 -8.304 415 HD2 LYS 50 2HD LYS 50 -7.892 12.578 -7.029 416 HD3 LYS 50 1HD LYS 50 -6.546 13.246 -6.098 417 HE2 LYS 50 2HE LYS 50 -5.583 14.193 -8.150 418 HE3 LYS 50 1HE LYS 50 -6.896 13.494 -9.102 419 HZ1 LYS 50 3HZ LYS 50 -7.155 15.567 -7.001 420 HZ2 LYS 50 1HZ LYS 50 -8.451 14.859 -7.827 421 HZ3 LYS 50 2HZ LYS 50 -7.325 15.791 -8.669 422 H LEU 51 H LEU 51 -4.303 9.401 -3.361 423 HA LEU 51 HA LEU 51 -6.245 7.541 -2.408 424 HB2 LEU 51 2HB LEU 51 -3.379 8.140 -1.698 425 HB3 LEU 51 1HB LEU 51 -4.329 7.215 -0.550 426 HG LEU 51 HG LEU 51 -4.801 5.526 -2.340 427 HD11 LEU 51 1HD1 LEU 51 -3.455 5.492 -4.394 428 HD12 LEU 51 2HD1 LEU 51 -2.787 7.077 -3.993 429 HD13 LEU 51 3HD1 LEU 51 -4.509 6.905 -4.338 430 HD21 LEU 51 3HD2 LEU 51 -1.857 5.990 -1.768 431 HD22 LEU 51 1HD2 LEU 51 -2.604 4.464 -2.243 432 HD23 LEU 51 2HD2 LEU 51 -3.005 5.190 -0.690 433 H THR 52 H THR 52 -7.971 8.586 -1.524 434 HA THR 52 HA THR 52 -7.670 10.135 0.946 435 HB THR 52 HB THR 52 -9.395 10.877 -0.661 436 HG1 THR 52 HG1 THR 52 -9.911 11.304 1.468 437 HG21 THR 52 3HG2 THR 52 -11.424 9.538 -1.089 438 HG22 THR 52 1HG2 THR 52 -10.737 8.193 -0.182 439 HG23 THR 52 2HG2 THR 52 -9.982 8.714 -1.692 440 H SER 53 H SER 53 -9.166 9.395 2.804 441 HA SER 53 HA SER 53 -8.215 6.872 3.729 442 HB2 SER 53 2HB SER 53 -8.642 8.853 5.231 443 HB3 SER 53 1HB SER 53 -10.374 8.619 5.005 444 HG SER 53 HG SER 53 -9.865 6.370 5.812 445 H LEU 54 H LEU 54 -11.074 7.831 2.044 446 HA LEU 54 HA LEU 54 -12.764 5.627 2.663 447 HB2 LEU 54 2HB LEU 54 -13.528 7.789 1.629 448 HB3 LEU 54 1HB LEU 54 -12.736 7.325 0.134 449 HG LEU 54 HG LEU 54 -14.263 5.370 -0.080 450 HD11 LEU 54 1HD1 LEU 54 -15.643 6.437 2.406 451 HD12 LEU 54 2HD1 LEU 54 -14.719 4.937 2.280 452 HD13 LEU 54 3HD1 LEU 54 -16.218 5.121 1.378 453 HD21 LEU 54 3HD2 LEU 54 -16.319 6.606 -0.647 454 HD22 LEU 54 1HD2 LEU 54 -14.880 7.459 -1.204 455 HD23 LEU 54 2HD2 LEU 54 -15.730 8.013 0.240 456 H HIS 55 H HIS 55 -10.183 6.120 0.291 457 HA HIS 55 HA HIS 55 -10.565 3.732 -1.240 458 HB2 HIS 55 2HB HIS 55 -8.086 5.458 -0.813 459 HB3 HIS 55 1HB HIS 55 -8.101 4.063 -1.889 460 HD1 HIS 55 HD1 HIS 55 -7.407 6.374 -3.398 461 HD2 HIS 55 HD2 HIS 55 -11.391 5.612 -2.510 462 HE1 HIS 55 HE1 HIS 55 -8.738 7.655 -5.092 463 HE2 HIS 55 HE2 HIS 55 -11.120 7.021 -4.645 464 H MET 56 H MET 56 -8.795 4.501 1.674 465 HA MET 56 HA MET 56 -7.408 2.034 2.016 466 HB2 MET 56 2HB MET 56 -8.230 4.141 4.053 467 HB3 MET 56 1HB MET 56 -7.079 2.845 4.349 468 HG2 MET 56 2HG MET 56 -6.683 5.022 2.289 469 HG3 MET 56 1HG MET 56 -6.061 5.080 3.932 470 HE1 MET 56 3HE MET 56 -5.978 2.808 0.627 471 HE2 MET 56 1HE MET 56 -4.229 2.835 0.397 472 HE3 MET 56 2HE MET 56 -5.145 4.341 0.368 473 H GLN 57 H GLN 57 -10.432 3.362 3.351 474 HA GLN 57 HA GLN 57 -11.166 1.217 5.014 475 HB2 GLN 57 2HB GLN 57 -12.208 3.443 5.233 476 HB3 GLN 57 1HB GLN 57 -12.937 3.292 3.639 477 HG2 GLN 57 2HG GLN 57 -14.608 2.899 5.364 478 HG3 GLN 57 1HG GLN 57 -14.341 1.419 4.449 479 HE21 GLN 57 1HE2 GLN 57 -13.332 -0.363 5.495 480 HE22 GLN 57 2HE2 GLN 57 -13.173 -0.443 7.216 481 H ASN 58 H ASN 58 -12.152 2.011 1.688 482 HA ASN 58 HA ASN 58 -13.863 -0.211 1.289 483 HB2 ASN 58 2HB ASN 58 -12.526 1.631 -0.731 484 HB3 ASN 58 1HB ASN 58 -13.700 0.392 -1.174 485 HD21 ASN 58 1HD2 ASN 58 -13.913 3.236 -1.562 486 HD22 ASN 58 2HD2 ASN 58 -15.314 3.761 -0.699 487 H TYR 59 H TYR 59 -10.405 0.246 0.854 488 HA TYR 59 HA TYR 59 -9.837 -2.144 -0.555 489 HB2 TYR 59 2HB TYR 59 -8.164 -0.325 -0.295 490 HB3 TYR 59 1HB TYR 59 -8.086 -0.625 1.436 491 HD1 TYR 59 HD2 TYR 59 -7.405 -2.235 -1.893 492 HD2 TYR 59 HD1 TYR 59 -6.533 -2.241 2.295 493 HE1 TYR 59 HE2 TYR 59 -5.611 -3.877 -2.264 494 HE2 TYR 59 HE1 TYR 59 -4.750 -3.887 1.919 495 HH TYR 59 HH TYR 59 -3.573 -4.656 -1.169 496 H VAL 60 H VAL 60 -9.914 -1.382 2.946 497 HA VAL 60 HA VAL 60 -9.350 -3.985 3.936 498 HB VAL 60 HB VAL 60 -10.833 -1.688 5.312 499 HG11 VAL 60 1HG1 VAL 60 -10.232 -2.787 7.463 500 HG12 VAL 60 2HG1 VAL 60 -9.589 -4.168 6.569 501 HG13 VAL 60 3HG1 VAL 60 -11.311 -3.792 6.490 502 HG21 VAL 60 3HG2 VAL 60 -7.898 -2.487 5.452 503 HG22 VAL 60 1HG2 VAL 60 -8.653 -1.177 6.361 504 HG23 VAL 60 2HG2 VAL 60 -8.539 -1.079 4.602 505 H ASN 61 H ASN 61 -12.352 -2.409 2.964 506 HA ASN 61 HA ASN 61 -14.203 -4.321 3.977 507 HB2 ASN 61 2HB ASN 61 -14.537 -2.398 1.627 508 HB3 ASN 61 1HB ASN 61 -15.846 -3.301 2.387 509 HD21 ASN 61 1HD2 ASN 61 -15.644 -0.446 2.119 510 HD22 ASN 61 2HD2 ASN 61 -15.626 0.216 3.715 511 H SER 62 H SER 62 -12.493 -3.953 0.892 512 HA SER 62 HA SER 62 -13.624 -6.096 -0.539 513 HB2 SER 62 2HB SER 62 -10.790 -4.975 -0.767 514 HB3 SER 62 1HB SER 62 -11.593 -5.969 -1.981 515 HG SER 62 HG SER 62 -11.879 -3.298 -1.381 516 H LEU 63 H LEU 63 -10.816 -5.920 1.639 517 HA LEU 63 HA LEU 63 -9.835 -8.550 1.360 518 HB2 LEU 63 2HB LEU 63 -9.671 -6.847 3.875 519 HB3 LEU 63 1HB LEU 63 -8.579 -8.141 3.404 520 HG LEU 63 HG LEU 63 -8.848 -5.439 2.056 521 HD11 LEU 63 1HD1 LEU 63 -6.587 -6.533 3.738 522 HD12 LEU 63 2HD1 LEU 63 -7.747 -5.290 4.217 523 HD13 LEU 63 3HD1 LEU 63 -6.611 -4.973 2.910 524 HD21 LEU 63 3HD2 LEU 63 -8.320 -7.113 0.364 525 HD22 LEU 63 1HD2 LEU 63 -6.966 -7.706 1.332 526 HD23 LEU 63 2HD2 LEU 63 -6.927 -6.077 0.652 527 H ARG 64 H ARG 64 -12.228 -7.137 3.523 528 HA ARG 64 HA ARG 64 -12.760 -9.320 5.237 529 HB2 ARG 64 2HB ARG 64 -13.481 -6.967 5.684 530 HB3 ARG 64 1HB ARG 64 -14.598 -7.061 4.329 531 HG2 ARG 64 2HG ARG 64 -15.719 -9.013 5.613 532 HG3 ARG 64 1HG ARG 64 -14.777 -8.473 7.005 533 HD2 ARG 64 2HD ARG 64 -17.034 -7.509 7.056 534 HD3 ARG 64 1HD ARG 64 -15.829 -6.233 6.835 535 HE ARG 64 HE ARG 64 -17.192 -7.386 4.488 536 HH11 ARG 64 1HH1 ARG 64 -16.677 -4.570 6.525 537 HH12 ARG 64 2HH1 ARG 64 -17.437 -3.491 5.405 538 HH21 ARG 64 1HH2 ARG 64 -18.132 -5.970 3.034 539 HH22 ARG 64 2HH2 ARG 64 -18.274 -4.285 3.434 540 H ASP 65 H ASP 65 -14.311 -8.205 2.232 541 HA ASP 65 HA ASP 65 -16.310 -10.267 2.191 542 HB2 ASP 65 2HB ASP 65 -15.504 -8.291 0.023 543 HB3 ASP 65 1HB ASP 65 -16.938 -9.309 -0.022 544 H GLU 66 H GLU 66 -13.072 -10.007 0.939 545 HA GLU 66 HA GLU 66 -13.221 -12.309 -0.816 546 HB2 GLU 66 2HB GLU 66 -10.838 -10.770 0.311 547 HB3 GLU 66 1HB GLU 66 -10.667 -12.158 -0.763 548 HG2 GLU 66 2HG GLU 66 -11.960 -9.495 -1.428 549 HG3 GLU 66 1HG GLU 66 -10.412 -10.102 -2.016 550 H GLY 67 H GLY 67 -12.977 -11.792 2.542 551 HA2 GLY 67 2HA GLY 67 -12.951 -13.262 4.310 552 HA3 GLY 67 1HA GLY 67 -12.907 -14.600 3.168 553 H LEU 68 H LEU 68 -10.561 -11.988 3.197 554 HA LEU 68 HA LEU 68 -8.331 -13.743 3.616 555 HB2 LEU 68 2HB LEU 68 -8.344 -10.695 3.655 556 HB3 LEU 68 1HB LEU 68 -6.939 -11.739 3.468 557 HG LEU 68 HG LEU 68 -9.161 -11.236 1.457 558 HD11 LEU 68 1HD1 LEU 68 -6.168 -10.796 1.253 559 HD12 LEU 68 2HD1 LEU 68 -7.384 -9.548 1.539 560 HD13 LEU 68 3HD1 LEU 68 -7.375 -10.427 0.012 561 HD21 LEU 68 3HD2 LEU 68 -6.973 -13.341 1.240 562 HD22 LEU 68 1HD2 LEU 68 -8.056 -12.848 -0.068 563 HD23 LEU 68 2HD2 LEU 68 -8.709 -13.633 1.364 564 H LYS 69 H LYS 69 -6.972 -13.829 5.397 565 HA LYS 69 HA LYS 69 -8.342 -13.520 7.944 566 HB2 LYS 69 2HB LYS 69 -6.455 -14.888 8.827 567 HB3 LYS 69 1HB LYS 69 -7.271 -15.638 7.461 568 HG2 LYS 69 2HG LYS 69 -5.353 -14.593 6.025 569 HG3 LYS 69 1HG LYS 69 -4.508 -14.410 7.566 570 HD2 LYS 69 2HD LYS 69 -5.489 -17.005 6.303 571 HD3 LYS 69 1HD LYS 69 -3.811 -16.490 6.500 572 HE2 LYS 69 2HE LYS 69 -4.082 -16.622 8.966 573 HE3 LYS 69 1HE LYS 69 -5.743 -17.170 8.757 574 HZ1 LYS 69 3HZ LYS 69 -4.922 -19.129 7.641 575 HZ2 LYS 69 1HZ LYS 69 -4.223 -18.991 9.173 576 HZ3 LYS 69 2HZ LYS 69 -3.330 -18.591 7.796 577 H ARG 70 H ARG 70 -7.240 -12.636 9.829 578 HA ARG 70 HA ARG 70 -6.626 -9.939 9.533 579 HB2 ARG 70 2HB ARG 70 -6.070 -9.954 11.966 580 HB3 ARG 70 1HB ARG 70 -7.567 -10.799 11.591 581 HG2 ARG 70 2HG ARG 70 -6.243 -12.973 11.678 582 HG3 ARG 70 1HG ARG 70 -4.894 -12.033 12.318 583 HD2 ARG 70 2HD ARG 70 -6.231 -13.149 14.102 584 HD3 ARG 70 1HD ARG 70 -6.216 -11.390 14.271 585 HE ARG 70 HE ARG 70 -8.454 -12.006 12.760 586 HH11 ARG 70 1HH1 ARG 70 -7.406 -12.755 16.016 587 HH12 ARG 70 2HH1 ARG 70 -9.015 -12.815 16.643 588 HH21 ARG 70 1HH2 ARG 70 -10.554 -12.074 13.588 589 HH22 ARG 70 2HH2 ARG 70 -10.805 -12.432 15.266 590 H GLY 71 H GLY 71 -4.382 -12.639 9.736 591 HA2 GLY 71 2HA GLY 71 -1.958 -11.232 9.993 592 HA3 GLY 71 1HA GLY 71 -2.152 -12.817 9.263 593 H THR 72 H THR 72 -3.618 -12.407 7.065 594 HA THR 72 HA THR 72 -1.855 -11.416 5.121 595 HB THR 72 HB THR 72 -4.877 -11.822 4.854 596 HG1 THR 72 HG1 THR 72 -3.629 -13.879 3.831 597 HG21 THR 72 3HG2 THR 72 -4.415 -12.239 2.459 598 HG22 THR 72 1HG2 THR 72 -2.711 -11.875 2.706 599 HG23 THR 72 2HG2 THR 72 -3.923 -10.606 2.913 600 H ILE 73 H ILE 73 -4.814 -10.022 6.515 601 HA ILE 73 HA ILE 73 -4.920 -7.625 5.051 602 HB ILE 73 HB ILE 73 -6.070 -8.311 7.796 603 HG12 ILE 73 2HG1 ILE 73 -7.269 -8.302 4.984 604 HG13 ILE 73 1HG1 ILE 73 -6.995 -9.705 6.011 605 HG21 ILE 73 1HG2 ILE 73 -7.576 -6.352 7.547 606 HG22 ILE 73 2HG2 ILE 73 -6.701 -5.865 6.095 607 HG23 ILE 73 3HG2 ILE 73 -5.883 -5.867 7.657 608 HD11 ILE 73 3HD1 ILE 73 -8.729 -8.867 7.553 609 HD12 ILE 73 1HD1 ILE 73 -9.335 -9.154 5.924 610 HD13 ILE 73 2HD1 ILE 73 -9.015 -7.508 6.464 611 H GLU 74 H GLU 74 -3.462 -8.360 8.232 612 HA GLU 74 HA GLU 74 -2.765 -5.758 8.989 613 HB2 GLU 74 2HB GLU 74 -2.654 -7.695 10.546 614 HB3 GLU 74 1HB GLU 74 -1.266 -8.325 9.662 615 HG2 GLU 74 2HG GLU 74 -0.008 -6.242 10.274 616 HG3 GLU 74 1HG GLU 74 -1.386 -5.734 11.244 617 H LYS 75 H LYS 75 -0.863 -8.215 7.232 618 HA LYS 75 HA LYS 75 1.582 -6.798 7.174 619 HB2 LYS 75 2HB LYS 75 0.542 -9.054 5.418 620 HB3 LYS 75 1HB LYS 75 2.192 -8.442 5.320 621 HG2 LYS 75 2HG LYS 75 2.598 -9.096 7.656 622 HG3 LYS 75 1HG LYS 75 0.936 -9.677 7.796 623 HD2 LYS 75 2HD LYS 75 3.025 -10.794 5.876 624 HD3 LYS 75 1HD LYS 75 2.590 -11.517 7.427 625 HE2 LYS 75 2HE LYS 75 0.249 -11.797 6.592 626 HE3 LYS 75 1HE LYS 75 0.760 -11.165 5.024 627 HZ1 LYS 75 3HZ LYS 75 1.903 -13.578 6.312 628 HZ2 LYS 75 1HZ LYS 75 2.230 -13.006 4.755 629 HZ3 LYS 75 2HZ LYS 75 0.694 -13.602 5.133 630 H ILE 76 H ILE 76 -0.994 -7.126 4.715 631 HA ILE 76 HA ILE 76 0.407 -5.675 2.702 632 HB ILE 76 HB ILE 76 -1.658 -5.722 1.383 633 HG12 ILE 76 2HG1 ILE 76 -2.998 -6.728 3.939 634 HG13 ILE 76 1HG1 ILE 76 -3.393 -5.268 3.039 635 HG21 ILE 76 1HG2 ILE 76 -1.231 -8.374 2.813 636 HG22 ILE 76 2HG2 ILE 76 -0.245 -7.752 1.493 637 HG23 ILE 76 3HG2 ILE 76 -1.935 -8.151 1.208 638 HD11 ILE 76 3HD1 ILE 76 -4.210 -6.657 1.181 639 HD12 ILE 76 1HD1 ILE 76 -5.056 -6.990 2.689 640 HD13 ILE 76 2HD1 ILE 76 -3.830 -8.110 2.112 641 H ILE 77 H ILE 77 -1.971 -4.728 5.153 642 HA ILE 77 HA ILE 77 -2.264 -2.013 4.389 643 HB ILE 77 HB ILE 77 -2.594 -3.388 7.093 644 HG12 ILE 77 2HG1 ILE 77 -4.282 -4.022 5.417 645 HG13 ILE 77 1HG1 ILE 77 -5.039 -3.048 6.672 646 HG21 ILE 77 1HG2 ILE 77 -3.251 -0.475 6.492 647 HG22 ILE 77 2HG2 ILE 77 -2.011 -1.061 7.600 648 HG23 ILE 77 3HG2 ILE 77 -3.713 -1.345 7.957 649 HD11 ILE 77 3HD1 ILE 77 -4.972 -1.105 5.163 650 HD12 ILE 77 1HD1 ILE 77 -5.882 -2.453 4.485 651 HD13 ILE 77 2HD1 ILE 77 -4.249 -2.117 3.912 652 H LYS 78 H LYS 78 0.122 -3.677 6.469 653 HA LYS 78 HA LYS 78 1.481 -1.369 7.416 654 HB2 LYS 78 2HB LYS 78 2.540 -4.209 7.060 655 HB3 LYS 78 1HB LYS 78 3.412 -2.926 7.893 656 HG2 LYS 78 2HG LYS 78 0.780 -4.160 8.752 657 HG3 LYS 78 1HG LYS 78 2.358 -4.440 9.485 658 HD2 LYS 78 2HD LYS 78 2.435 -2.029 10.154 659 HD3 LYS 78 1HD LYS 78 0.822 -1.804 9.468 660 HE2 LYS 78 2HE LYS 78 0.704 -2.100 11.911 661 HE3 LYS 78 1HE LYS 78 -0.090 -3.442 11.085 662 HZ1 LYS 78 3HZ LYS 78 1.936 -4.761 11.428 663 HZ2 LYS 78 1HZ LYS 78 1.268 -4.238 12.892 664 HZ3 LYS 78 2HZ LYS 78 2.640 -3.473 12.270 665 H VAL 79 H VAL 79 1.850 -3.309 4.480 666 HA VAL 79 HA VAL 79 4.280 -2.139 3.542 667 HB VAL 79 HB VAL 79 2.098 -3.408 1.805 668 HG11 VAL 79 1HG1 VAL 79 3.773 -2.190 0.495 669 HG12 VAL 79 2HG1 VAL 79 3.975 -3.923 0.253 670 HG13 VAL 79 3HG1 VAL 79 5.081 -3.051 1.317 671 HG21 VAL 79 3HG2 VAL 79 3.329 -5.541 2.046 672 HG22 VAL 79 1HG2 VAL 79 2.732 -4.973 3.598 673 HG23 VAL 79 2HG2 VAL 79 4.435 -4.783 3.195 674 H ILE 80 H ILE 80 0.841 -1.436 2.946 675 HA ILE 80 HA ILE 80 1.139 0.758 1.178 676 HB ILE 80 HB ILE 80 -1.121 0.123 3.140 677 HG12 ILE 80 2HG1 ILE 80 -0.939 -0.396 0.132 678 HG13 ILE 80 1HG1 ILE 80 -0.713 -1.618 1.377 679 HG21 ILE 80 1HG2 ILE 80 -1.244 2.511 2.546 680 HG22 ILE 80 2HG2 ILE 80 -2.571 1.627 1.793 681 HG23 ILE 80 3HG2 ILE 80 -1.174 2.109 0.827 682 HD11 ILE 80 3HD1 ILE 80 -2.921 -1.769 0.386 683 HD12 ILE 80 1HD1 ILE 80 -3.261 -0.096 0.832 684 HD13 ILE 80 2HD1 ILE 80 -3.040 -1.318 2.087 685 H ARG 81 H ARG 81 0.994 0.563 4.720 686 HA ARG 81 HA ARG 81 0.856 3.312 5.318 687 HB2 ARG 81 2HB ARG 81 1.908 0.994 6.990 688 HB3 ARG 81 1HB ARG 81 1.808 2.644 7.604 689 HG2 ARG 81 2HG ARG 81 -0.664 2.593 7.149 690 HG3 ARG 81 1HG ARG 81 -0.508 0.891 6.720 691 HD2 ARG 81 2HD ARG 81 -1.292 1.102 9.026 692 HD3 ARG 81 1HD ARG 81 0.336 0.414 9.007 693 HE ARG 81 HE ARG 81 1.168 2.692 9.543 694 HH11 ARG 81 1HH1 ARG 81 -2.153 1.931 10.380 695 HH12 ARG 81 2HH1 ARG 81 -2.211 3.085 11.670 696 HH21 ARG 81 1HH2 ARG 81 1.071 4.217 11.218 697 HH22 ARG 81 2HH2 ARG 81 -0.388 4.390 12.142 698 H ASN 82 H ASN 82 3.648 1.124 5.088 699 HA ASN 82 HA ASN 82 5.623 3.033 5.811 700 HB2 ASN 82 2HB ASN 82 5.927 0.520 5.935 701 HB3 ASN 82 1HB ASN 82 6.036 0.485 4.177 702 HD21 ASN 82 1HD2 ASN 82 7.655 1.344 7.128 703 HD22 ASN 82 2HD2 ASN 82 9.203 1.657 6.441 704 H SER 83 H SER 83 4.272 1.962 2.733 705 HA SER 83 HA SER 83 5.997 3.276 0.940 706 HB2 SER 83 2HB SER 83 4.406 1.504 0.259 707 HB3 SER 83 1HB SER 83 3.046 2.566 0.619 708 HG SER 83 HG SER 83 5.037 2.961 -1.362 709 H LEU 84 H LEU 84 2.862 4.297 2.311 710 HA LEU 84 HA LEU 84 2.848 6.844 1.027 711 HB2 LEU 84 2HB LEU 84 1.176 5.723 3.296 712 HB3 LEU 84 1HB LEU 84 0.901 7.299 2.577 713 HG LEU 84 HG LEU 84 0.583 4.602 1.211 714 HD11 LEU 84 1HD1 LEU 84 -1.459 6.764 1.819 715 HD12 LEU 84 2HD1 LEU 84 -1.297 5.220 2.646 716 HD13 LEU 84 3HD1 LEU 84 -1.769 5.254 0.956 717 HD21 LEU 84 3HD2 LEU 84 1.581 6.143 -0.391 718 HD22 LEU 84 1HD2 LEU 84 0.346 7.355 -0.040 719 HD23 LEU 84 2HD2 LEU 84 -0.099 5.829 -0.809 720 H GLU 85 H GLU 85 4.068 5.732 4.138 721 HA GLU 85 HA GLU 85 4.579 8.222 5.385 722 HB2 GLU 85 2HB GLU 85 5.993 5.526 5.555 723 HB3 GLU 85 1HB GLU 85 6.542 6.904 6.498 724 HG2 GLU 85 2HG GLU 85 3.719 5.824 6.676 725 HG3 GLU 85 1HG GLU 85 5.037 5.210 7.672 726 H HIS 86 H HIS 86 6.336 6.310 3.006 727 HA HIS 86 HA HIS 86 8.709 7.921 2.911 728 HB2 HIS 86 2HB HIS 86 8.718 5.506 2.366 729 HB3 HIS 86 1HB HIS 86 7.652 5.794 0.995 730 HD1 HIS 86 HD1 HIS 86 11.207 6.398 2.144 731 HD2 HIS 86 HD2 HIS 86 8.939 6.591 -1.335 732 HE1 HIS 86 HE1 HIS 86 12.851 6.738 0.274 733 HE2 HIS 86 HE2 HIS 86 11.459 6.701 -1.822 734 H ALA 87 H ALA 87 5.622 7.942 1.246 735 HA ALA 87 HA ALA 87 6.320 9.758 -0.854 736 HB1 ALA 87 3HB ALA 87 4.346 8.280 -0.969 737 HB2 ALA 87 1HB ALA 87 3.907 9.973 -1.209 738 HB3 ALA 87 2HB ALA 87 3.588 9.188 0.342 739 H ILE 88 H ILE 88 5.207 10.166 2.469 740 HA ILE 88 HA ILE 88 4.912 13.005 2.454 741 HB ILE 88 HB ILE 88 5.599 11.157 4.791 742 HG12 ILE 88 2HG1 ILE 88 2.887 12.268 3.903 743 HG13 ILE 88 1HG1 ILE 88 3.425 10.601 3.701 744 HG21 ILE 88 1HG2 ILE 88 4.583 14.031 4.879 745 HG22 ILE 88 2HG2 ILE 88 6.195 13.483 5.343 746 HG23 ILE 88 3HG2 ILE 88 4.792 12.972 6.278 747 HD11 ILE 88 3HD1 ILE 88 3.495 10.341 6.142 748 HD12 ILE 88 1HD1 ILE 88 1.898 10.807 5.560 749 HD13 ILE 88 2HD1 ILE 88 2.933 12.006 6.329 750 H ASP 89 H ASP 89 7.636 10.830 3.103 751 HA ASP 89 HA ASP 89 9.636 12.681 3.787 752 HB2 ASP 89 2HB ASP 89 10.095 10.364 4.141 753 HB3 ASP 89 1HB ASP 89 9.720 9.947 2.474 754 H LEU 90 H LEU 90 8.693 11.402 0.600 755 HA LEU 90 HA LEU 90 10.517 13.042 -0.911 756 HB2 LEU 90 2HB LEU 90 8.092 11.423 -1.786 757 HB3 LEU 90 1HB LEU 90 9.249 12.164 -2.883 758 HG LEU 90 HG LEU 90 9.876 9.928 -0.909 759 HD11 LEU 90 1HD1 LEU 90 9.620 9.814 -3.934 760 HD12 LEU 90 2HD1 LEU 90 8.483 9.140 -2.764 761 HD13 LEU 90 3HD1 LEU 90 10.113 8.484 -2.881 762 HD21 LEU 90 3HD2 LEU 90 11.675 11.227 -2.993 763 HD22 LEU 90 1HD2 LEU 90 12.082 9.820 -2.006 764 HD23 LEU 90 2HD2 LEU 90 11.826 11.383 -1.240 765 H GLU 91 H GLU 91 7.551 13.633 0.602 766 HA GLU 91 HA GLU 91 6.111 15.335 0.740 767 HB2 GLU 91 2HB GLU 91 8.235 16.931 -0.756 768 HB3 GLU 91 1HB GLU 91 6.870 17.623 0.125 769 HG2 GLU 91 2HG GLU 91 7.766 16.539 2.214 770 HG3 GLU 91 1HG GLU 91 9.188 16.047 1.297 771 H LEU 92 H LEU 92 6.085 13.524 -1.588 772 HA LEU 92 HA LEU 92 4.744 14.840 -3.758 773 HB2 LEU 92 2HB LEU 92 4.624 11.944 -2.794 774 HB3 LEU 92 1HB LEU 92 4.000 12.512 -4.338 775 HG LEU 92 HG LEU 92 6.936 12.600 -3.523 776 HD11 LEU 92 1HD1 LEU 92 7.313 10.762 -5.086 777 HD12 LEU 92 2HD1 LEU 92 5.584 10.669 -5.430 778 HD13 LEU 92 3HD1 LEU 92 6.187 10.277 -3.819 779 HD21 LEU 92 3HD2 LEU 92 7.373 13.155 -5.882 780 HD22 LEU 92 1HD2 LEU 92 6.367 14.378 -5.108 781 HD23 LEU 92 2HD2 LEU 92 5.638 13.199 -6.202 782 H ILE 93 H ILE 93 3.902 13.547 -0.662 783 HA ILE 93 HA ILE 93 1.354 15.015 -0.671 784 HB ILE 93 HB ILE 93 0.296 13.278 0.806 785 HG12 ILE 93 2HG1 ILE 93 2.682 11.541 0.010 786 HG13 ILE 93 1HG1 ILE 93 2.349 12.149 1.625 787 HG21 ILE 93 1HG2 ILE 93 1.032 12.236 -1.956 788 HG22 ILE 93 2HG2 ILE 93 -0.303 13.323 -1.575 789 HG23 ILE 93 3HG2 ILE 93 -0.322 11.667 -0.974 790 HD11 ILE 93 3HD1 ILE 93 0.318 10.765 1.703 791 HD12 ILE 93 1HD1 ILE 93 1.777 9.809 1.441 792 HD13 ILE 93 2HD1 ILE 93 0.694 10.148 0.093 793 H THR 94 H THR 94 0.859 15.851 1.474 794 HA THR 94 HA THR 94 3.256 16.315 3.119 795 HB THR 94 HB THR 94 1.842 18.053 4.267 796 HG1 THR 94 HG1 THR 94 -0.100 17.672 2.223 797 HG21 THR 94 3HG2 THR 94 3.254 18.690 2.334 798 HG22 THR 94 1HG2 THR 94 1.768 19.640 2.381 799 HG23 THR 94 2HG2 THR 94 1.924 18.307 1.236 800 H LYS 95 H LYS 95 0.126 14.786 3.221 801 HA LYS 95 HA LYS 95 0.820 13.363 5.695 802 HB2 LYS 95 2HB LYS 95 -0.724 15.238 6.333 803 HB3 LYS 95 1HB LYS 95 -1.902 14.656 5.160 804 HG2 LYS 95 2HG LYS 95 -2.123 12.550 6.440 805 HG3 LYS 95 1HG LYS 95 -0.957 13.141 7.623 806 HD2 LYS 95 2HD LYS 95 -3.612 14.517 7.026 807 HD3 LYS 95 1HD LYS 95 -3.395 13.321 8.304 808 HE2 LYS 95 2HE LYS 95 -3.278 15.493 9.322 809 HE3 LYS 95 1HE LYS 95 -1.645 14.833 9.317 810 HZ1 LYS 95 3HZ LYS 95 -1.065 16.237 7.507 811 HZ2 LYS 95 1HZ LYS 95 -1.800 17.198 8.685 812 HZ3 LYS 95 2HZ LYS 95 -2.661 16.755 7.299 813 H ASN 96 H ASN 96 -0.032 11.263 5.732 814 HA ASN 96 HA ASN 96 -1.294 10.330 3.235 815 HB2 ASN 96 2HB ASN 96 -0.399 8.131 3.691 816 HB3 ASN 96 1HB ASN 96 0.898 9.307 3.731 817 HD21 ASN 96 1HD2 ASN 96 2.282 8.132 4.914 818 HD22 ASN 96 2HD2 ASN 96 2.035 7.662 6.550 819 H VAL 97 H VAL 97 -2.829 8.623 3.431 820 HA VAL 97 HA VAL 97 -4.707 9.002 5.671 821 HB VAL 97 HB VAL 97 -6.374 7.966 4.083 822 HG11 VAL 97 1HG1 VAL 97 -6.539 9.960 2.596 823 HG12 VAL 97 2HG1 VAL 97 -4.898 10.428 3.049 824 HG13 VAL 97 3HG1 VAL 97 -6.176 10.413 4.264 825 HG21 VAL 97 3HG2 VAL 97 -5.765 7.680 1.696 826 HG22 VAL 97 1HG2 VAL 97 -4.783 6.626 2.717 827 HG23 VAL 97 2HG2 VAL 97 -4.092 8.108 2.059 828 H ALA 98 H ALA 98 -2.219 7.077 5.254 829 HA ALA 98 HA ALA 98 -3.428 4.446 5.749 830 HB1 ALA 98 3HB ALA 98 -0.541 5.290 5.356 831 HB2 ALA 98 1HB ALA 98 -1.591 4.520 4.169 832 HB3 ALA 98 2HB ALA 98 -1.089 3.630 5.599 833 H ALA 99 H ALA 99 -1.870 7.079 7.410 834 HA ALA 99 HA ALA 99 -1.348 5.722 9.897 835 HB1 ALA 99 3HB ALA 99 -1.034 7.991 10.815 836 HB2 ALA 99 1HB ALA 99 -1.696 8.688 9.335 837 HB3 ALA 99 2HB ALA 99 -0.171 7.804 9.286 838 H LYS 100 H LYS 100 -4.171 6.866 8.341 839 HA LYS 100 HA LYS 100 -5.875 6.913 10.709 840 HB2 LYS 100 2HB LYS 100 -6.596 6.941 7.743 841 HB3 LYS 100 1HB LYS 100 -7.706 7.260 9.075 842 HG2 LYS 100 2HG LYS 100 -5.319 8.958 8.284 843 HG3 LYS 100 1HG LYS 100 -7.014 9.329 7.959 844 HD2 LYS 100 2HD LYS 100 -7.443 9.469 10.402 845 HD3 LYS 100 1HD LYS 100 -5.742 9.110 10.720 846 HE2 LYS 100 2HE LYS 100 -5.103 11.201 9.534 847 HE3 LYS 100 1HE LYS 100 -6.815 11.556 9.268 848 HZ1 LYS 100 3HZ LYS 100 -5.465 11.301 11.897 849 HZ2 LYS 100 1HZ LYS 100 -7.114 11.592 11.669 850 HZ3 LYS 100 2HZ LYS 100 -5.978 12.736 11.171 851 H THR 101 H THR 101 -4.624 4.634 8.469 852 HA THR 101 HA THR 101 -6.786 2.670 8.855 853 HB THR 101 HB THR 101 -4.482 2.555 6.858 854 HG1 THR 101 HG1 THR 101 -5.739 4.354 6.416 855 HG21 THR 101 3HG2 THR 101 -7.158 1.092 6.881 856 HG22 THR 101 1HG2 THR 101 -5.599 0.367 7.292 857 HG23 THR 101 2HG2 THR 101 -5.900 0.943 5.654 858 H LYS 102 H LYS 102 -6.258 1.957 10.888 859 HA LYS 102 HA LYS 102 -3.749 0.499 11.334 860 HB2 LYS 102 2HB LYS 102 -4.568 0.171 13.611 861 HB3 LYS 102 1HB LYS 102 -4.749 1.865 13.180 862 HG2 LYS 102 2HG LYS 102 -7.172 1.505 12.786 863 HG3 LYS 102 1HG LYS 102 -6.985 -0.195 13.235 864 HD2 LYS 102 2HD LYS 102 -6.168 0.574 15.507 865 HD3 LYS 102 1HD LYS 102 -6.557 2.230 15.028 866 HE2 LYS 102 2HE LYS 102 -8.533 -0.071 15.256 867 HE3 LYS 102 1HE LYS 102 -8.348 1.256 16.405 868 HZ1 LYS 102 3HZ LYS 102 -10.206 1.648 14.957 869 HZ2 LYS 102 1HZ LYS 102 -9.237 1.497 13.578 870 HZ3 LYS 102 2HZ LYS 102 -9.006 2.796 14.639 871 H LEU 103 H LEU 103 -3.981 -1.825 12.124 872 HA LEU 103 HA LEU 103 -5.729 -3.487 10.622 873 HB2 LEU 103 2HB LEU 103 -3.662 -4.374 11.667 874 HB3 LEU 103 1HB LEU 103 -4.306 -4.032 13.264 875 HG LEU 103 HG LEU 103 -6.160 -5.712 12.795 876 HD11 LEU 103 1HD1 LEU 103 -5.861 -7.373 11.016 877 HD12 LEU 103 2HD1 LEU 103 -4.478 -6.473 10.391 878 HD13 LEU 103 3HD1 LEU 103 -6.089 -5.754 10.356 879 HD21 LEU 103 3HD2 LEU 103 -3.328 -6.807 12.799 880 HD22 LEU 103 1HD2 LEU 103 -4.782 -7.698 13.261 881 HD23 LEU 103 2HD2 LEU 103 -4.260 -6.311 14.213 882 HA PRO 104 HA PRO 104 -9.458 -2.214 12.928 883 HB2 PRO 104 2HB PRO 104 -11.217 -4.049 11.844 884 HB3 PRO 104 1HB PRO 104 -10.671 -2.602 10.985 885 HG2 PRO 104 2HG PRO 104 -9.613 -5.430 10.794 886 HG3 PRO 104 1HG PRO 104 -10.038 -4.307 9.479 887 HD2 PRO 104 2HD PRO 104 -7.482 -4.640 10.226 888 HD3 PRO 104 1HD PRO 104 -8.084 -3.027 9.777 889 H LYS 105 H LYS 105 -11.418 -3.669 14.010 890 HA LYS 105 HA LYS 105 -10.201 -4.969 16.243 891 HB2 LYS 105 2HB LYS 105 -13.125 -4.787 15.434 892 HB3 LYS 105 1HB LYS 105 -12.559 -5.439 16.970 893 HG2 LYS 105 2HG LYS 105 -11.547 -3.212 17.491 894 HG3 LYS 105 1HG LYS 105 -12.220 -2.586 15.986 895 HD2 LYS 105 2HD LYS 105 -13.719 -1.891 17.711 896 HD3 LYS 105 1HD LYS 105 -14.532 -3.214 16.878 897 HE2 LYS 105 2HE LYS 105 -12.999 -3.534 19.490 898 HE3 LYS 105 1HE LYS 105 -14.737 -3.268 19.396 899 HZ1 LYS 105 3HZ LYS 105 -14.875 -5.350 18.088 900 HZ2 LYS 105 1HZ LYS 105 -14.319 -5.579 19.671 901 HZ3 LYS 105 2HZ LYS 105 -13.233 -5.614 18.382 902 H ALA 106 H ALA 106 -9.007 -6.563 15.258 903 HA ALA 106 HA ALA 106 -10.271 -9.168 14.973 904 HB1 ALA 106 3HB ALA 106 -9.030 -9.656 12.865 905 HB2 ALA 106 1HB ALA 106 -8.469 -7.979 12.804 906 HB3 ALA 106 2HB ALA 106 -10.187 -8.346 12.633 907 H ASP 107 H ASP 107 -9.147 -8.437 17.125 908 HA ASP 107 HA ASP 107 -6.281 -8.487 17.230 909 HB2 ASP 107 2HB ASP 107 -6.598 -8.335 19.709 910 HB3 ASP 107 1HB ASP 107 -7.455 -7.090 18.818 911 H LYS 108 H LYS 108 -4.997 -10.121 17.494 912 HA LYS 108 HA LYS 108 -6.015 -12.826 18.069 913 HB2 LYS 108 2HB LYS 108 -3.719 -13.569 17.187 914 HB3 LYS 108 1HB LYS 108 -4.825 -12.895 16.007 915 HG2 LYS 108 2HG LYS 108 -2.624 -11.243 17.265 916 HG3 LYS 108 1HG LYS 108 -2.349 -12.237 15.838 917 HD2 LYS 108 2HD LYS 108 -4.012 -10.950 14.572 918 HD3 LYS 108 1HD LYS 108 -4.434 -10.018 16.007 919 HE2 LYS 108 2HE LYS 108 -3.031 -8.652 14.608 920 HE3 LYS 108 1HE LYS 108 -2.096 -9.104 16.028 921 HZ1 LYS 108 3HZ LYS 108 -1.920 -10.496 13.419 922 HZ2 LYS 108 1HZ LYS 108 -0.910 -10.708 14.758 923 HZ3 LYS 108 2HZ LYS 108 -0.885 -9.252 13.897 924 H GLU 109 H GLU 109 -4.242 -14.192 19.310 925 HA GLU 109 HA GLU 109 -4.014 -12.785 21.896 926 HB2 GLU 109 2HB GLU 109 -4.027 -15.777 21.284 927 HB3 GLU 109 1HB GLU 109 -4.008 -15.057 22.896 928 HG2 GLU 109 2HG GLU 109 -6.223 -14.048 22.480 929 HG3 GLU 109 1HG GLU 109 -6.238 -14.722 20.854 930 H GLU 110 H GLU 110 -2.100 -12.277 22.684 931 HA GLU 110 HA GLU 110 0.239 -12.462 21.120 932 HB2 GLU 110 2HB GLU 110 1.322 -11.499 23.379 933 HB3 GLU 110 1HB GLU 110 0.325 -10.511 22.338 934 HG2 GLU 110 2HG GLU 110 -0.198 -10.121 24.678 935 HG3 GLU 110 1HG GLU 110 -1.590 -10.780 23.828 936 H LEU 111 H LEU 111 -0.830 -14.322 23.900 937 HA LEU 111 HA LEU 111 0.002 -16.006 25.144 938 HB2 LEU 111 2HB LEU 111 1.312 -16.788 22.514 939 HB3 LEU 111 1HB LEU 111 1.056 -17.865 23.883 940 HG LEU 111 HG LEU 111 -1.122 -16.585 22.174 941 HD11 LEU 111 1HD1 LEU 111 -0.268 -19.486 22.366 942 HD12 LEU 111 2HD1 LEU 111 0.039 -18.392 21.015 943 HD13 LEU 111 3HD1 LEU 111 -1.614 -18.855 21.413 944 HD21 LEU 111 3HD2 LEU 111 -1.441 -18.468 24.542 945 HD22 LEU 111 1HD2 LEU 111 -2.734 -17.933 23.469 946 HD23 LEU 111 2HD2 LEU 111 -1.903 -16.764 24.491 947 H GLU 112 H GLU 112 1.497 -13.595 25.221 948 HA GLU 112 HA GLU 112 4.339 -14.046 25.108 949 HB2 GLU 112 2HB GLU 112 3.222 -11.864 24.572 950 HB3 GLU 112 1HB GLU 112 2.726 -11.703 26.246 951 HG2 GLU 112 2HG GLU 112 5.631 -11.786 25.373 952 HG3 GLU 112 1HG GLU 112 4.706 -10.293 25.465 953 H HIS 113 H HIS 113 1.858 -14.049 27.619 954 HA HIS 113 HA HIS 113 3.771 -14.268 29.825 955 HB2 HIS 113 2HB HIS 113 0.741 -14.114 29.678 956 HB3 HIS 113 1HB HIS 113 1.563 -14.491 31.186 957 HD1 HIS 113 HD1 HIS 113 -0.117 -11.797 30.135 958 HD2 HIS 113 HD2 HIS 113 3.886 -12.218 31.141 959 HE1 HIS 113 HE1 HIS 113 0.637 -9.515 30.869 960 HE2 HIS 113 HE2 HIS 113 3.069 -9.795 31.454 961 H HIS 114 H HIS 114 4.045 -16.393 28.013 962 HA HIS 114 HA HIS 114 2.585 -18.728 28.952 963 HB2 HIS 114 2HB HIS 114 3.736 -19.962 27.143 964 HB3 HIS 114 1HB HIS 114 2.988 -18.496 26.535 965 HD1 HIS 114 HD1 HIS 114 5.861 -20.379 25.978 966 HD2 HIS 114 HD2 HIS 114 5.246 -16.315 26.526 967 HE1 HIS 114 HE1 HIS 114 7.867 -19.253 24.967 968 HE2 HIS 114 HE2 HIS 114 7.431 -16.790 25.241 969 H HIS 115 H HIS 115 3.441 -18.454 31.179 970 HA HIS 115 HA HIS 115 5.338 -20.493 31.751 971 HB2 HIS 115 2HB HIS 115 7.051 -19.162 32.965 972 HB3 HIS 115 1HB HIS 115 7.014 -18.746 31.265 973 HD1 HIS 115 HD1 HIS 115 6.867 -17.258 34.585 974 HD2 HIS 115 HD2 HIS 115 5.680 -16.154 30.754 975 HE1 HIS 115 HE1 HIS 115 6.482 -14.780 34.684 976 HE2 HIS 115 HE2 HIS 115 5.981 -14.117 32.315 977 H HIS 116 H HIS 116 4.477 -21.460 33.468 978 HA HIS 116 HA HIS 116 2.913 -19.979 35.472 979 HB2 HIS 116 2HB HIS 116 3.319 -22.979 35.052 980 HB3 HIS 116 1HB HIS 116 2.365 -22.282 36.359 981 HD1 HIS 116 HD1 HIS 116 2.143 -23.373 32.866 982 HD2 HIS 116 HD2 HIS 116 -0.029 -20.908 35.416 983 HE1 HIS 116 HE1 HIS 116 -0.115 -23.113 31.795 984 HE2 HIS 116 HE2 HIS 116 -1.351 -21.490 33.273 985 H HIS 117 H HIS 117 3.440 -20.044 37.663 986 HA HIS 117 HA HIS 117 6.268 -20.649 38.321 987 HB2 HIS 117 2HB HIS 117 6.114 -19.017 40.107 988 HB3 HIS 117 1HB HIS 117 5.476 -18.266 38.651 989 HD1 HIS 117 HD1 HIS 117 4.522 -19.356 42.075 990 HD2 HIS 117 HD2 HIS 117 2.677 -17.736 38.726 991 HE1 HIS 117 HE1 HIS 117 2.266 -18.590 42.861 992 HE2 HIS 117 HE2 HIS 117 1.272 -17.405 40.871 993 H HIS 118 H HIS 118 6.689 -21.538 40.443 994 HA HIS 118 HA HIS 118 4.961 -23.635 41.347 995 HB2 HIS 118 2HB HIS 118 7.434 -22.411 42.666 996 HB3 HIS 118 1HB HIS 118 6.627 -23.877 43.218 997 HD1 HIS 118 HD1 HIS 118 7.570 -25.983 42.321 998 HD2 HIS 118 HD2 HIS 118 8.449 -22.748 39.862 999 HE1 HIS 118 HE1 HIS 118 9.088 -26.884 40.537 1000 HE2 HIS 118 HE2 HIS 118 9.545 -24.931 39.013 Start of MODEL 3 1 H1 MET 1 1H MET 1 -1.348 23.076 -4.743 2 H2 MET 1 2H MET 1 -0.013 22.642 -3.804 3 H3 MET 1 3H MET 1 -1.568 22.580 -3.141 4 HA MET 1 HA MET 1 -0.788 20.381 -3.670 5 HB2 MET 1 2HB MET 1 -2.759 19.643 -4.907 6 HB3 MET 1 1HB MET 1 -3.223 20.964 -3.852 7 HG2 MET 1 2HG MET 1 -3.142 22.508 -5.805 8 HG3 MET 1 1HG MET 1 -2.772 21.131 -6.842 9 HE1 MET 1 3HE MET 1 -5.189 23.119 -7.393 10 HE2 MET 1 1HE MET 1 -6.503 22.013 -7.776 11 HE3 MET 1 2HE MET 1 -4.890 21.714 -8.420 12 H GLU 2 H GLU 2 -0.903 18.893 -5.847 13 HA GLU 2 HA GLU 2 0.390 20.080 -8.173 14 HB2 GLU 2 2HB GLU 2 2.353 19.555 -6.708 15 HB3 GLU 2 1HB GLU 2 1.795 17.893 -6.547 16 HG2 GLU 2 2HG GLU 2 2.045 17.680 -9.072 17 HG3 GLU 2 1HG GLU 2 2.828 19.255 -9.057 18 HA PRO 3 HA PRO 3 -2.054 16.606 -9.878 19 HB2 PRO 3 2HB PRO 3 -0.688 16.988 -12.472 20 HB3 PRO 3 1HB PRO 3 -2.393 17.220 -12.070 21 HG2 PRO 3 2HG PRO 3 -0.678 19.280 -12.623 22 HG3 PRO 3 1HG PRO 3 -2.112 19.446 -11.593 23 HD2 PRO 3 2HD PRO 3 0.777 19.214 -10.795 24 HD3 PRO 3 1HD PRO 3 -0.528 20.172 -10.061 25 H SER 4 H SER 4 -1.136 14.899 -8.821 26 HA SER 4 HA SER 4 1.572 14.118 -8.958 27 HB2 SER 4 2HB SER 4 0.825 12.063 -7.709 28 HB3 SER 4 1HB SER 4 0.251 13.559 -6.976 29 HG SER 4 HG SER 4 -1.358 12.151 -8.816 30 H LYS 5 H LYS 5 2.166 13.885 -11.050 31 HA LYS 5 HA LYS 5 1.075 12.238 -13.052 32 HB2 LYS 5 2HB LYS 5 4.010 12.918 -12.553 33 HB3 LYS 5 1HB LYS 5 3.336 12.359 -14.077 34 HG2 LYS 5 2HG LYS 5 2.369 14.954 -12.831 35 HG3 LYS 5 1HG LYS 5 3.876 14.902 -13.744 36 HD2 LYS 5 2HD LYS 5 2.182 15.641 -15.262 37 HD3 LYS 5 1HD LYS 5 2.568 13.980 -15.714 38 HE2 LYS 5 2HE LYS 5 0.129 14.475 -15.784 39 HE3 LYS 5 1HE LYS 5 0.521 13.184 -14.652 40 HZ1 LYS 5 3HZ LYS 5 -0.025 16.012 -13.952 41 HZ2 LYS 5 1HZ LYS 5 0.396 14.803 -12.848 42 HZ3 LYS 5 2HZ LYS 5 -1.064 14.704 -13.700 43 H LEU 6 H LEU 6 3.409 11.644 -10.491 44 HA LEU 6 HA LEU 6 3.839 8.890 -10.905 45 HB2 LEU 6 2HB LEU 6 5.246 10.409 -9.489 46 HB3 LEU 6 1HB LEU 6 3.941 10.490 -8.317 47 HG LEU 6 HG LEU 6 4.186 8.046 -7.879 48 HD11 LEU 6 1HD1 LEU 6 6.544 8.180 -9.790 49 HD12 LEU 6 2HD1 LEU 6 5.033 7.303 -10.051 50 HD13 LEU 6 3HD1 LEU 6 6.127 6.809 -8.761 51 HD21 LEU 6 3HD2 LEU 6 6.766 9.624 -7.570 52 HD22 LEU 6 1HD2 LEU 6 6.328 8.171 -6.670 53 HD23 LEU 6 2HD2 LEU 6 5.387 9.646 -6.464 54 H SER 7 H SER 7 1.976 7.732 -11.204 55 HA SER 7 HA SER 7 -0.301 7.762 -9.474 56 HB2 SER 7 2HB SER 7 0.628 5.448 -11.228 57 HB3 SER 7 1HB SER 7 -1.016 5.769 -10.662 58 HG SER 7 HG SER 7 0.520 7.281 -12.509 59 H TYR 8 H TYR 8 -0.881 5.996 -7.950 60 HA TYR 8 HA TYR 8 1.144 5.552 -6.053 61 HB2 TYR 8 2HB TYR 8 -1.273 5.647 -5.473 62 HB3 TYR 8 1HB TYR 8 -1.517 4.082 -6.253 63 HD1 TYR 8 HD1 TYR 8 1.136 5.381 -3.924 64 HD2 TYR 8 HD2 TYR 8 -1.906 2.444 -4.550 65 HE1 TYR 8 HE1 TYR 8 1.763 4.292 -1.818 66 HE2 TYR 8 HE2 TYR 8 -1.282 1.366 -2.428 67 HH TYR 8 HH TYR 8 0.791 1.208 -1.011 68 H GLY 9 H GLY 9 -0.164 3.449 -8.577 69 HA2 GLY 9 2HA GLY 9 1.143 1.025 -7.856 70 HA3 GLY 9 1HA GLY 9 0.472 1.416 -9.431 71 H GLU 10 H GLU 10 2.081 3.758 -9.883 72 HA GLU 10 HA GLU 10 4.515 2.610 -10.886 73 HB2 GLU 10 2HB GLU 10 3.869 5.578 -10.595 74 HB3 GLU 10 1HB GLU 10 5.042 4.843 -11.689 75 HG2 GLU 10 2HG GLU 10 2.025 4.711 -11.844 76 HG3 GLU 10 1HG GLU 10 3.117 5.533 -12.951 77 H TYR 11 H TYR 11 3.552 4.567 -8.128 78 HA TYR 11 HA TYR 11 6.162 5.098 -7.121 79 HB2 TYR 11 2HB TYR 11 4.313 6.590 -6.519 80 HB3 TYR 11 1HB TYR 11 3.438 5.261 -5.756 81 HD1 TYR 11 HD1 TYR 11 6.937 6.654 -5.569 82 HD2 TYR 11 HD2 TYR 11 3.486 5.358 -3.398 83 HE1 TYR 11 HE1 TYR 11 8.121 7.035 -3.458 84 HE2 TYR 11 HE2 TYR 11 4.668 5.766 -1.294 85 HH TYR 11 HH TYR 11 6.949 5.890 -0.490 86 H LEU 12 H LEU 12 3.882 2.430 -6.762 87 HA LEU 12 HA LEU 12 4.996 1.197 -4.485 88 HB2 LEU 12 2HB LEU 12 3.569 -0.010 -6.882 89 HB3 LEU 12 1HB LEU 12 4.048 -0.952 -5.472 90 HG LEU 12 HG LEU 12 2.072 1.363 -5.474 91 HD11 LEU 12 1HD1 LEU 12 1.594 -1.597 -5.076 92 HD12 LEU 12 2HD1 LEU 12 1.175 -0.653 -6.510 93 HD13 LEU 12 3HD1 LEU 12 0.385 -0.315 -4.974 94 HD21 LEU 12 3HD2 LEU 12 3.023 -0.356 -3.157 95 HD22 LEU 12 1HD2 LEU 12 1.656 0.757 -3.097 96 HD23 LEU 12 2HD2 LEU 12 3.280 1.378 -3.368 97 H GLU 13 H GLU 13 5.815 1.033 -7.919 98 HA GLU 13 HA GLU 13 7.933 -0.853 -7.704 99 HB2 GLU 13 2HB GLU 13 7.410 1.293 -9.808 100 HB3 GLU 13 1HB GLU 13 8.609 0.006 -9.961 101 HG2 GLU 13 2HG GLU 13 5.601 -0.312 -9.783 102 HG3 GLU 13 1HG GLU 13 6.617 -0.598 -11.197 103 H SER 14 H SER 14 7.881 2.714 -7.804 104 HA SER 14 HA SER 14 10.625 3.238 -7.774 105 HB2 SER 14 2HB SER 14 8.937 4.946 -8.299 106 HB3 SER 14 1HB SER 14 8.312 4.884 -6.650 107 HG SER 14 HG SER 14 9.668 6.516 -6.490 108 H TRP 15 H TRP 15 8.377 3.319 -5.028 109 HA TRP 15 HA TRP 15 10.103 3.633 -2.883 110 HB2 TRP 15 2HB TRP 15 7.756 3.952 -2.506 111 HB3 TRP 15 1HB TRP 15 7.346 2.366 -3.141 112 HD1 TRP 15 HD1 TRP 15 8.894 3.995 0.013 113 HE1 TRP 15 HE1 TRP 15 8.562 2.390 1.992 114 HE3 TRP 15 HE3 TRP 15 6.952 -0.010 -2.511 115 HZ2 TRP 15 HZ2 TRP 15 7.626 -0.232 2.414 116 HZ3 TRP 15 HZ3 TRP 15 6.382 -2.040 -1.239 117 HH2 TRP 15 HH2 TRP 15 6.718 -2.140 1.189 118 H PHE 16 H PHE 16 8.870 0.641 -4.371 119 HA PHE 16 HA PHE 16 10.005 -1.175 -2.538 120 HB2 PHE 16 2HB PHE 16 8.118 -1.762 -4.004 121 HB3 PHE 16 1HB PHE 16 9.143 -1.609 -5.426 122 HD1 PHE 16 HD2 PHE 16 8.911 -3.499 -2.195 123 HD2 PHE 16 HD1 PHE 16 10.148 -3.531 -6.287 124 HE1 PHE 16 HE2 PHE 16 9.518 -5.867 -2.005 125 HE2 PHE 16 HE1 PHE 16 10.754 -5.896 -6.082 126 HZ PHE 16 HZ PHE 16 10.434 -7.061 -3.951 127 H ASN 17 H ASN 17 11.238 0.116 -5.629 128 HA ASN 17 HA ASN 17 13.553 -1.488 -5.913 129 HB2 ASN 17 2HB ASN 17 13.114 1.382 -6.857 130 HB3 ASN 17 1HB ASN 17 14.447 0.356 -7.374 131 HD21 ASN 17 1HD2 ASN 17 12.464 1.621 -9.000 132 HD22 ASN 17 2HD2 ASN 17 11.624 0.370 -9.840 133 H THR 18 H THR 18 13.020 1.658 -4.382 134 HA THR 18 HA THR 18 15.539 2.129 -3.258 135 HB THR 18 HB THR 18 12.791 2.935 -2.188 136 HG1 THR 18 HG1 THR 18 14.532 4.367 -3.935 137 HG21 THR 18 3HG2 THR 18 13.937 4.861 -1.162 138 HG22 THR 18 1HG2 THR 18 15.494 4.250 -1.718 139 HG23 THR 18 2HG2 THR 18 14.570 3.344 -0.516 140 H LYS 19 H LYS 19 12.799 0.176 -2.105 141 HA LYS 19 HA LYS 19 13.832 -0.094 0.584 142 HB2 LYS 19 2HB LYS 19 11.361 0.119 0.029 143 HB3 LYS 19 1HB LYS 19 11.421 -1.506 -0.637 144 HG2 LYS 19 2HG LYS 19 10.502 -1.514 1.641 145 HG3 LYS 19 1HG LYS 19 12.025 -2.409 1.576 146 HD2 LYS 19 2HD LYS 19 13.197 -0.342 2.437 147 HD3 LYS 19 1HD LYS 19 11.617 0.421 2.640 148 HE2 LYS 19 2HE LYS 19 12.550 -2.118 4.028 149 HE3 LYS 19 1HE LYS 19 12.506 -0.511 4.758 150 HZ1 LYS 19 3HZ LYS 19 10.145 -1.994 3.739 151 HZ2 LYS 19 1HZ LYS 19 10.128 -0.492 4.510 152 HZ3 LYS 19 2HZ LYS 19 10.593 -1.868 5.365 153 H ARG 20 H ARG 20 14.001 -1.974 -2.366 154 HA ARG 20 HA ARG 20 14.604 -4.527 -1.379 155 HB2 ARG 20 2HB ARG 20 15.567 -3.177 -3.926 156 HB3 ARG 20 1HB ARG 20 15.863 -4.875 -3.561 157 HG2 ARG 20 2HG ARG 20 13.373 -5.217 -3.463 158 HG3 ARG 20 1HG ARG 20 13.178 -3.550 -4.004 159 HD2 ARG 20 2HD ARG 20 12.974 -4.930 -5.947 160 HD3 ARG 20 1HD ARG 20 14.554 -4.145 -6.050 161 HE ARG 20 HE ARG 20 14.617 -6.757 -4.808 162 HH11 ARG 20 1HH1 ARG 20 14.862 -5.077 -7.901 163 HH12 ARG 20 2HH1 ARG 20 15.559 -6.446 -8.705 164 HH21 ARG 20 1HH2 ARG 20 15.524 -8.503 -5.886 165 HH22 ARG 20 2HH2 ARG 20 15.926 -8.382 -7.572 166 H HIS 21 H HIS 21 16.500 -1.667 -1.269 167 HA HIS 21 HA HIS 21 19.117 -2.757 -1.115 168 HB2 HIS 21 2HB HIS 21 18.012 -0.114 -0.065 169 HB3 HIS 21 1HB HIS 21 19.725 -0.512 -0.139 170 HD1 HIS 21 HD1 HIS 21 20.342 1.324 -1.793 171 HD2 HIS 21 HD2 HIS 21 17.325 -1.156 -3.216 172 HE1 HIS 21 HE1 HIS 21 20.015 1.967 -4.199 173 HE2 HIS 21 HE2 HIS 21 18.117 0.527 -5.007 174 H SER 22 H SER 22 16.535 -2.519 1.216 175 HA SER 22 HA SER 22 18.320 -3.242 3.465 176 HB2 SER 22 2HB SER 22 16.896 -1.182 3.741 177 HB3 SER 22 1HB SER 22 15.453 -2.186 3.587 178 HG SER 22 HG SER 22 15.973 -3.202 5.487 179 H VAL 23 H VAL 23 15.110 -4.053 2.019 180 HA VAL 23 HA VAL 23 14.828 -6.460 3.586 181 HB VAL 23 HB VAL 23 12.792 -6.940 2.329 182 HG11 VAL 23 1HG1 VAL 23 12.590 -5.268 4.121 183 HG12 VAL 23 2HG1 VAL 23 11.463 -4.904 2.816 184 HG13 VAL 23 3HG1 VAL 23 12.948 -3.966 2.981 185 HG21 VAL 23 3HG2 VAL 23 13.519 -4.647 0.459 186 HG22 VAL 23 1HG2 VAL 23 11.986 -5.523 0.448 187 HG23 VAL 23 2HG2 VAL 23 13.485 -6.359 0.039 188 H GLY 24 H GLY 24 15.150 -8.577 2.974 189 HA2 GLY 24 2HA GLY 24 17.138 -9.127 0.990 190 HA3 GLY 24 1HA GLY 24 16.299 -10.308 1.988 191 H ILE 25 H ILE 25 16.832 -10.971 -0.562 192 HA ILE 25 HA ILE 25 14.996 -10.307 -2.573 193 HB ILE 25 HB ILE 25 16.489 -12.945 -2.191 194 HG12 ILE 25 2HG1 ILE 25 18.032 -10.999 -2.305 195 HG13 ILE 25 1HG1 ILE 25 18.213 -12.037 -3.712 196 HG21 ILE 25 1HG2 ILE 25 15.172 -11.874 -4.722 197 HG22 ILE 25 2HG2 ILE 25 14.670 -13.289 -3.791 198 HG23 ILE 25 3HG2 ILE 25 16.215 -13.299 -4.644 199 HD11 ILE 25 3HD1 ILE 25 18.329 -9.691 -4.310 200 HD12 ILE 25 1HD1 ILE 25 16.724 -9.417 -3.628 201 HD13 ILE 25 2HD1 ILE 25 16.919 -10.454 -5.042 202 H GLN 26 H GLN 26 14.897 -12.861 -0.113 203 HA GLN 26 HA GLN 26 12.534 -14.184 -0.926 204 HB2 GLN 26 2HB GLN 26 12.561 -15.227 1.304 205 HB3 GLN 26 1HB GLN 26 14.178 -15.197 0.606 206 HG2 GLN 26 2HG GLN 26 14.814 -13.324 2.043 207 HG3 GLN 26 1HG GLN 26 13.175 -13.200 2.669 208 HE21 GLN 26 1HE2 GLN 26 14.938 -16.237 2.181 209 HE22 GLN 26 2HE2 GLN 26 15.056 -16.630 3.858 210 H THR 27 H THR 27 13.082 -11.420 1.173 211 HA THR 27 HA THR 27 10.404 -11.276 2.251 212 HB THR 27 HB THR 27 12.676 -9.240 2.391 213 HG1 THR 27 HG1 THR 27 12.179 -11.634 3.715 214 HG21 THR 27 3HG2 THR 27 10.223 -9.561 4.171 215 HG22 THR 27 1HG2 THR 27 10.480 -8.256 2.999 216 HG23 THR 27 2HG2 THR 27 11.526 -8.399 4.409 217 H ALA 28 H ALA 28 12.244 -9.825 -0.318 218 HA ALA 28 HA ALA 28 10.586 -7.610 -0.940 219 HB1 ALA 28 3HB ALA 28 12.961 -7.706 -1.575 220 HB2 ALA 28 1HB ALA 28 11.953 -7.491 -3.009 221 HB3 ALA 28 2HB ALA 28 12.642 -9.074 -2.643 222 H LYS 29 H LYS 29 10.840 -10.927 -2.211 223 HA LYS 29 HA LYS 29 8.871 -10.796 -4.212 224 HB2 LYS 29 2HB LYS 29 10.273 -12.645 -4.412 225 HB3 LYS 29 1HB LYS 29 10.297 -12.966 -2.689 226 HG2 LYS 29 2HG LYS 29 7.732 -13.488 -4.173 227 HG3 LYS 29 1HG LYS 29 9.077 -14.600 -4.431 228 HD2 LYS 29 2HD LYS 29 9.198 -15.070 -2.018 229 HD3 LYS 29 1HD LYS 29 7.935 -13.883 -1.695 230 HE2 LYS 29 2HE LYS 29 7.027 -16.139 -1.612 231 HE3 LYS 29 1HE LYS 29 6.332 -15.243 -2.957 232 HZ1 LYS 29 3HZ LYS 29 8.511 -17.239 -3.162 233 HZ2 LYS 29 1HZ LYS 29 7.842 -16.375 -4.449 234 HZ3 LYS 29 2HZ LYS 29 6.897 -17.487 -3.599 235 H VAL 30 H VAL 30 8.653 -11.304 -0.743 236 HA VAL 30 HA VAL 30 5.920 -12.137 -0.605 237 HB VAL 30 HB VAL 30 7.821 -10.981 1.488 238 HG11 VAL 30 1HG1 VAL 30 6.160 -11.677 3.225 239 HG12 VAL 30 2HG1 VAL 30 4.991 -11.998 1.943 240 HG13 VAL 30 3HG1 VAL 30 5.575 -10.355 2.210 241 HG21 VAL 30 3HG2 VAL 30 6.746 -13.804 1.083 242 HG22 VAL 30 1HG2 VAL 30 7.858 -13.299 2.359 243 HG23 VAL 30 2HG2 VAL 30 8.374 -13.260 0.672 244 H LEU 31 H LEU 31 7.526 -8.986 -0.019 245 HA LEU 31 HA LEU 31 5.220 -7.516 0.697 246 HB2 LEU 31 2HB LEU 31 7.834 -6.478 -0.474 247 HB3 LEU 31 1HB LEU 31 6.626 -5.498 0.350 248 HG LEU 31 HG LEU 31 8.275 -7.712 1.647 249 HD11 LEU 31 1HD1 LEU 31 8.507 -4.708 1.952 250 HD12 LEU 31 2HD1 LEU 31 9.640 -5.760 1.093 251 HD13 LEU 31 3HD1 LEU 31 9.438 -5.924 2.835 252 HD21 LEU 31 3HD2 LEU 31 7.340 -6.941 3.787 253 HD22 LEU 31 1HD2 LEU 31 6.068 -7.521 2.712 254 HD23 LEU 31 2HD2 LEU 31 6.311 -5.786 2.935 255 H LYS 32 H LYS 32 6.965 -7.755 -2.403 256 HA LYS 32 HA LYS 32 5.099 -6.081 -3.829 257 HB2 LYS 32 2HB LYS 32 7.528 -6.257 -4.446 258 HB3 LYS 32 1HB LYS 32 7.240 -7.906 -4.990 259 HG2 LYS 32 2HG LYS 32 5.613 -7.033 -6.674 260 HG3 LYS 32 1HG LYS 32 5.979 -5.388 -6.138 261 HD2 LYS 32 2HD LYS 32 8.322 -5.678 -6.853 262 HD3 LYS 32 1HD LYS 32 7.969 -7.329 -7.375 263 HE2 LYS 32 2HE LYS 32 6.392 -6.468 -9.059 264 HE3 LYS 32 1HE LYS 32 6.684 -4.817 -8.510 265 HZ1 LYS 32 3HZ LYS 32 8.994 -5.071 -9.168 266 HZ2 LYS 32 1HZ LYS 32 7.941 -5.292 -10.471 267 HZ3 LYS 32 2HZ LYS 32 8.675 -6.630 -9.739 268 H GLY 33 H GLY 33 5.443 -9.513 -3.201 269 HA2 GLY 33 2HA GLY 33 3.678 -10.569 -5.143 270 HA3 GLY 33 1HA GLY 33 4.012 -11.284 -3.569 271 H TYR 34 H TYR 34 3.140 -9.018 -2.048 272 HA TYR 34 HA TYR 34 0.287 -9.381 -1.983 273 HB2 TYR 34 2HB TYR 34 2.212 -7.641 -0.402 274 HB3 TYR 34 1HB TYR 34 0.473 -7.594 -0.145 275 HD1 TYR 34 HD2 TYR 34 -0.260 -10.470 -0.339 276 HD2 TYR 34 HD1 TYR 34 3.070 -8.626 1.611 277 HE1 TYR 34 HE2 TYR 34 -0.142 -12.351 1.232 278 HE2 TYR 34 HE1 TYR 34 3.178 -10.514 3.191 279 HH TYR 34 HH TYR 34 1.486 -13.435 2.707 280 H LEU 35 H LEU 35 2.525 -6.847 -3.099 281 HA LEU 35 HA LEU 35 0.633 -4.788 -3.558 282 HB2 LEU 35 2HB LEU 35 3.320 -5.327 -4.880 283 HB3 LEU 35 1HB LEU 35 2.371 -3.878 -5.191 284 HG LEU 35 HG LEU 35 3.534 -4.677 -2.485 285 HD11 LEU 35 1HD1 LEU 35 5.288 -3.953 -4.043 286 HD12 LEU 35 2HD1 LEU 35 5.051 -2.764 -2.764 287 HD13 LEU 35 3HD1 LEU 35 4.399 -2.463 -4.378 288 HD21 LEU 35 3HD2 LEU 35 1.453 -3.471 -2.161 289 HD22 LEU 35 1HD2 LEU 35 1.958 -2.212 -3.293 290 HD23 LEU 35 2HD2 LEU 35 2.802 -2.412 -1.760 291 H ASN 36 H ASN 36 2.046 -7.154 -5.790 292 HA ASN 36 HA ASN 36 0.793 -6.325 -8.147 293 HB2 ASN 36 2HB ASN 36 1.976 -9.039 -7.453 294 HB3 ASN 36 1HB ASN 36 1.549 -8.526 -9.085 295 HD21 ASN 36 1HD2 ASN 36 4.131 -9.345 -8.130 296 HD22 ASN 36 2HD2 ASN 36 5.202 -8.013 -8.364 297 H SER 37 H SER 37 -0.283 -8.526 -5.661 298 HA SER 37 HA SER 37 -2.431 -9.662 -7.296 299 HB2 SER 37 2HB SER 37 -1.659 -10.176 -4.388 300 HB3 SER 37 1HB SER 37 -2.864 -11.087 -5.305 301 HG SER 37 HG SER 37 -0.194 -11.382 -5.252 302 H ARG 38 H ARG 38 -2.106 -7.616 -4.373 303 HA ARG 38 HA ARG 38 -5.030 -7.289 -4.234 304 HB2 ARG 38 2HB ARG 38 -2.846 -6.748 -2.180 305 HB3 ARG 38 1HB ARG 38 -4.536 -6.309 -1.928 306 HG2 ARG 38 2HG ARG 38 -3.458 -9.116 -2.347 307 HG3 ARG 38 1HG ARG 38 -4.032 -8.423 -0.825 308 HD2 ARG 38 2HD ARG 38 -6.293 -8.291 -1.649 309 HD3 ARG 38 1HD ARG 38 -5.786 -8.698 -3.291 310 HE ARG 38 HE ARG 38 -5.310 -10.695 -1.199 311 HH11 ARG 38 1HH1 ARG 38 -7.151 -9.726 -4.021 312 HH12 ARG 38 2HH1 ARG 38 -7.990 -11.238 -4.139 313 HH21 ARG 38 1HH2 ARG 38 -6.389 -12.700 -1.394 314 HH22 ARG 38 2HH2 ARG 38 -7.546 -12.926 -2.672 315 H ILE 39 H ILE 39 -2.109 -5.139 -4.016 316 HA ILE 39 HA ILE 39 -3.842 -2.857 -3.762 317 HB ILE 39 HB ILE 39 -0.794 -2.903 -3.998 318 HG12 ILE 39 2HG1 ILE 39 -0.949 -2.242 -1.492 319 HG13 ILE 39 1HG1 ILE 39 -2.628 -2.751 -1.554 320 HG21 ILE 39 1HG2 ILE 39 -1.683 -0.733 -4.716 321 HG22 ILE 39 2HG2 ILE 39 -0.885 -0.565 -3.153 322 HG23 ILE 39 3HG2 ILE 39 -2.649 -0.606 -3.242 323 HD11 ILE 39 3HD1 ILE 39 -1.264 -4.435 -0.555 324 HD12 ILE 39 1HD1 ILE 39 -0.195 -4.469 -1.954 325 HD13 ILE 39 2HD1 ILE 39 -1.860 -5.031 -2.104 326 H ILE 40 H ILE 40 -1.961 -4.248 -6.448 327 HA ILE 40 HA ILE 40 -1.827 -1.998 -8.120 328 HB ILE 40 HB ILE 40 -1.761 -4.948 -8.842 329 HG12 ILE 40 2HG1 ILE 40 0.164 -4.287 -7.544 330 HG13 ILE 40 1HG1 ILE 40 0.697 -4.481 -9.207 331 HG21 ILE 40 1HG2 ILE 40 -2.577 -3.824 -10.828 332 HG22 ILE 40 2HG2 ILE 40 -0.898 -4.300 -11.091 333 HG23 ILE 40 3HG2 ILE 40 -1.286 -2.615 -10.733 334 HD11 ILE 40 3HD1 ILE 40 0.668 -2.047 -9.473 335 HD12 ILE 40 1HD1 ILE 40 1.728 -2.577 -8.170 336 HD13 ILE 40 2HD1 ILE 40 0.155 -1.881 -7.790 337 HA PRO 41 HA PRO 41 -5.942 -3.245 -10.354 338 HB2 PRO 41 2HB PRO 41 -7.562 -5.212 -9.391 339 HB3 PRO 41 1HB PRO 41 -6.192 -5.551 -10.454 340 HG2 PRO 41 2HG PRO 41 -6.376 -5.818 -7.460 341 HG3 PRO 41 1HG PRO 41 -5.650 -6.924 -8.649 342 HD2 PRO 41 2HD PRO 41 -4.179 -5.155 -7.150 343 HD3 PRO 41 1HD PRO 41 -3.678 -5.731 -8.752 344 H SER 42 H SER 42 -5.631 -2.704 -7.003 345 HA SER 42 HA SER 42 -8.402 -1.726 -6.673 346 HB2 SER 42 2HB SER 42 -6.260 -2.334 -4.601 347 HB3 SER 42 1HB SER 42 -7.894 -1.773 -4.241 348 HG SER 42 HG SER 42 -7.012 -4.265 -4.872 349 H LEU 43 H LEU 43 -5.193 -0.668 -5.458 350 HA LEU 43 HA LEU 43 -6.022 2.158 -5.646 351 HB2 LEU 43 2HB LEU 43 -3.847 0.887 -3.941 352 HB3 LEU 43 1HB LEU 43 -4.336 2.578 -3.892 353 HG LEU 43 HG LEU 43 -6.083 0.214 -3.072 354 HD11 LEU 43 1HD1 LEU 43 -4.691 2.273 -1.331 355 HD12 LEU 43 2HD1 LEU 43 -4.263 0.567 -1.483 356 HD13 LEU 43 3HD1 LEU 43 -5.809 1.022 -0.772 357 HD21 LEU 43 3HD2 LEU 43 -7.676 1.891 -2.229 358 HD22 LEU 43 1HD2 LEU 43 -7.439 2.061 -3.967 359 HD23 LEU 43 2HD2 LEU 43 -6.662 3.193 -2.859 360 H GLY 44 H GLY 44 -4.031 -0.059 -7.221 361 HA2 GLY 44 2HA GLY 44 -1.566 1.346 -7.469 362 HA3 GLY 44 1HA GLY 44 -2.084 -0.030 -8.426 363 H ASN 45 H ASN 45 -4.242 0.866 -9.799 364 HA ASN 45 HA ASN 45 -3.023 2.508 -11.841 365 HB2 ASN 45 2HB ASN 45 -5.814 1.320 -11.595 366 HB3 ASN 45 1HB ASN 45 -5.259 2.212 -13.004 367 HD21 ASN 45 1HD2 ASN 45 -3.197 -0.088 -11.206 368 HD22 ASN 45 2HD2 ASN 45 -3.149 -1.270 -12.456 369 H ILE 46 H ILE 46 -4.557 3.315 -8.998 370 HA ILE 46 HA ILE 46 -5.744 5.841 -9.842 371 HB ILE 46 HB ILE 46 -5.181 4.808 -7.012 372 HG12 ILE 46 2HG1 ILE 46 -7.744 4.510 -8.656 373 HG13 ILE 46 1HG1 ILE 46 -6.645 3.200 -8.232 374 HG21 ILE 46 1HG2 ILE 46 -7.131 6.944 -7.949 375 HG22 ILE 46 2HG2 ILE 46 -5.599 7.242 -7.127 376 HG23 ILE 46 3HG2 ILE 46 -6.901 6.404 -6.283 377 HD11 ILE 46 3HD1 ILE 46 -8.582 3.144 -6.821 378 HD12 ILE 46 1HD1 ILE 46 -8.339 4.820 -6.335 379 HD13 ILE 46 2HD1 ILE 46 -7.181 3.582 -5.846 380 H LYS 47 H LYS 47 -4.847 7.917 -9.207 381 HA LYS 47 HA LYS 47 -1.983 8.128 -9.162 382 HB2 LYS 47 2HB LYS 47 -4.067 10.285 -8.642 383 HB3 LYS 47 1HB LYS 47 -2.354 10.565 -8.950 384 HG2 LYS 47 2HG LYS 47 -4.323 9.330 -10.896 385 HG3 LYS 47 1HG LYS 47 -3.760 11.004 -10.937 386 HD2 LYS 47 2HD LYS 47 -1.464 10.248 -11.399 387 HD3 LYS 47 1HD LYS 47 -1.957 8.560 -11.241 388 HE2 LYS 47 2HE LYS 47 -1.736 9.216 -13.604 389 HE3 LYS 47 1HE LYS 47 -3.401 8.780 -13.217 390 HZ1 LYS 47 3HZ LYS 47 -3.325 10.749 -14.566 391 HZ2 LYS 47 1HZ LYS 47 -2.328 11.537 -13.453 392 HZ3 LYS 47 2HZ LYS 47 -3.916 11.136 -13.035 393 H LEU 48 H LEU 48 -0.694 9.031 -7.493 394 HA LEU 48 HA LEU 48 -0.986 7.774 -5.015 395 HB2 LEU 48 2HB LEU 48 1.178 8.292 -5.969 396 HB3 LEU 48 1HB LEU 48 0.846 10.013 -5.934 397 HG LEU 48 HG LEU 48 1.017 10.026 -3.467 398 HD11 LEU 48 1HD1 LEU 48 1.635 7.068 -3.658 399 HD12 LEU 48 2HD1 LEU 48 0.171 7.774 -2.971 400 HD13 LEU 48 3HD1 LEU 48 1.729 8.059 -2.200 401 HD21 LEU 48 3HD2 LEU 48 3.427 9.542 -3.270 402 HD22 LEU 48 1HD2 LEU 48 3.059 10.395 -4.769 403 HD23 LEU 48 2HD2 LEU 48 3.380 8.658 -4.798 404 H ALA 49 H ALA 49 -1.565 11.185 -5.892 405 HA ALA 49 HA ALA 49 -2.123 12.049 -3.196 406 HB1 ALA 49 3HB ALA 49 -2.645 13.480 -5.823 407 HB2 ALA 49 1HB ALA 49 -1.173 13.595 -4.856 408 HB3 ALA 49 2HB ALA 49 -2.697 14.213 -4.216 409 H LYS 50 H LYS 50 -4.028 10.454 -5.596 410 HA LYS 50 HA LYS 50 -6.625 11.470 -4.804 411 HB2 LYS 50 2HB LYS 50 -5.881 8.990 -6.396 412 HB3 LYS 50 1HB LYS 50 -7.536 9.539 -6.139 413 HG2 LYS 50 2HG LYS 50 -5.384 11.077 -7.603 414 HG3 LYS 50 1HG LYS 50 -6.645 10.103 -8.363 415 HD2 LYS 50 2HD LYS 50 -8.369 11.611 -7.362 416 HD3 LYS 50 1HD LYS 50 -7.078 12.602 -6.668 417 HE2 LYS 50 2HE LYS 50 -7.956 13.589 -8.750 418 HE3 LYS 50 1HE LYS 50 -6.262 13.134 -8.937 419 HZ1 LYS 50 3HZ LYS 50 -8.566 11.494 -9.859 420 HZ2 LYS 50 1HZ LYS 50 -6.929 11.163 -10.121 421 HZ3 LYS 50 2HZ LYS 50 -7.645 12.507 -10.850 422 H LEU 51 H LEU 51 -4.458 9.127 -3.470 423 HA LEU 51 HA LEU 51 -6.338 7.343 -2.300 424 HB2 LEU 51 2HB LEU 51 -3.431 7.963 -1.782 425 HB3 LEU 51 1HB LEU 51 -4.310 7.087 -0.544 426 HG LEU 51 HG LEU 51 -4.884 5.325 -2.234 427 HD11 LEU 51 1HD1 LEU 51 -3.667 5.204 -4.360 428 HD12 LEU 51 2HD1 LEU 51 -2.978 6.803 -4.067 429 HD13 LEU 51 3HD1 LEU 51 -4.718 6.619 -4.299 430 HD21 LEU 51 3HD2 LEU 51 -1.914 5.808 -1.837 431 HD22 LEU 51 1HD2 LEU 51 -2.676 4.265 -2.234 432 HD23 LEU 51 2HD2 LEU 51 -3.003 5.032 -0.682 433 H THR 52 H THR 52 -7.970 8.513 -1.450 434 HA THR 52 HA THR 52 -7.553 10.187 0.930 435 HB THR 52 HB THR 52 -9.044 11.103 -0.804 436 HG1 THR 52 HG1 THR 52 -10.048 11.885 0.864 437 HG21 THR 52 3HG2 THR 52 -9.845 9.025 -1.850 438 HG22 THR 52 1HG2 THR 52 -11.207 10.042 -1.365 439 HG23 THR 52 2HG2 THR 52 -10.770 8.633 -0.398 440 H SER 53 H SER 53 -9.438 9.761 2.609 441 HA SER 53 HA SER 53 -8.981 7.301 3.886 442 HB2 SER 53 2HB SER 53 -9.673 9.403 5.046 443 HB3 SER 53 1HB SER 53 -11.285 9.242 4.353 444 HG SER 53 HG SER 53 -10.173 7.128 5.838 445 H LEU 54 H LEU 54 -11.503 8.289 1.630 446 HA LEU 54 HA LEU 54 -13.336 6.166 1.854 447 HB2 LEU 54 2HB LEU 54 -13.757 8.230 0.536 448 HB3 LEU 54 1HB LEU 54 -12.533 7.744 -0.622 449 HG LEU 54 HG LEU 54 -13.961 5.735 -1.211 450 HD11 LEU 54 1HD1 LEU 54 -16.051 7.103 0.508 451 HD12 LEU 54 2HD1 LEU 54 -15.264 5.558 0.850 452 HD13 LEU 54 3HD1 LEU 54 -16.321 5.717 -0.551 453 HD21 LEU 54 3HD2 LEU 54 -15.272 8.442 -1.621 454 HD22 LEU 54 1HD2 LEU 54 -15.585 6.984 -2.567 455 HD23 LEU 54 2HD2 LEU 54 -13.995 7.741 -2.620 456 H HIS 55 H HIS 55 -10.374 6.488 -0.063 457 HA HIS 55 HA HIS 55 -10.562 4.051 -1.531 458 HB2 HIS 55 2HB HIS 55 -8.210 5.897 -0.947 459 HB3 HIS 55 1HB HIS 55 -8.051 4.449 -1.936 460 HD1 HIS 55 HD1 HIS 55 -7.321 6.118 -3.826 461 HD2 HIS 55 HD2 HIS 55 -11.290 6.410 -2.644 462 HE1 HIS 55 HE1 HIS 55 -8.467 7.402 -5.634 463 HE2 HIS 55 HE2 HIS 55 -10.858 7.613 -4.888 464 H MET 56 H MET 56 -9.200 4.925 1.567 465 HA MET 56 HA MET 56 -7.714 2.537 2.055 466 HB2 MET 56 2HB MET 56 -8.822 4.630 3.960 467 HB3 MET 56 1HB MET 56 -7.679 3.371 4.414 468 HG2 MET 56 2HG MET 56 -7.123 5.539 2.380 469 HG3 MET 56 1HG MET 56 -6.644 5.595 4.071 470 HE1 MET 56 3HE MET 56 -4.466 3.402 0.706 471 HE2 MET 56 1HE MET 56 -5.387 4.901 0.604 472 HE3 MET 56 2HE MET 56 -6.227 3.356 0.756 473 H GLN 57 H GLN 57 -10.921 3.703 3.098 474 HA GLN 57 HA GLN 57 -11.564 1.535 4.803 475 HB2 GLN 57 2HB GLN 57 -12.660 3.740 4.986 476 HB3 GLN 57 1HB GLN 57 -13.396 3.533 3.402 477 HG2 GLN 57 2HG GLN 57 -15.031 3.127 5.167 478 HG3 GLN 57 1HG GLN 57 -14.740 1.645 4.258 479 HE21 GLN 57 1HE2 GLN 57 -13.718 -0.098 5.294 480 HE22 GLN 57 2HE2 GLN 57 -13.524 -0.161 7.009 481 H ASN 58 H ASN 58 -12.521 2.305 1.469 482 HA ASN 58 HA ASN 58 -14.150 0.007 1.058 483 HB2 ASN 58 2HB ASN 58 -12.906 1.989 -0.884 484 HB3 ASN 58 1HB ASN 58 -13.916 0.653 -1.431 485 HD21 ASN 58 1HD2 ASN 58 -14.477 3.394 -1.822 486 HD22 ASN 58 2HD2 ASN 58 -15.949 3.757 -0.998 487 H TYR 59 H TYR 59 -10.704 0.600 0.676 488 HA TYR 59 HA TYR 59 -10.050 -1.733 -0.815 489 HB2 TYR 59 2HB TYR 59 -8.452 0.147 -0.553 490 HB3 TYR 59 1HB TYR 59 -8.337 -0.166 1.176 491 HD1 TYR 59 HD2 TYR 59 -7.760 -1.806 -2.151 492 HD2 TYR 59 HD1 TYR 59 -6.638 -1.641 1.971 493 HE1 TYR 59 HE2 TYR 59 -5.941 -3.396 -2.582 494 HE2 TYR 59 HE1 TYR 59 -4.828 -3.241 1.535 495 HH TYR 59 HH TYR 59 -4.259 -4.954 -0.081 496 H VAL 60 H VAL 60 -10.085 -1.035 2.680 497 HA VAL 60 HA VAL 60 -9.328 -3.584 3.638 498 HB VAL 60 HB VAL 60 -10.913 -1.335 4.965 499 HG11 VAL 60 1HG1 VAL 60 -10.389 -2.406 7.145 500 HG12 VAL 60 2HG1 VAL 60 -9.715 -3.799 6.296 501 HG13 VAL 60 3HG1 VAL 60 -11.435 -3.427 6.153 502 HG21 VAL 60 3HG2 VAL 60 -7.986 -2.145 5.209 503 HG22 VAL 60 1HG2 VAL 60 -8.768 -0.831 6.094 504 HG23 VAL 60 2HG2 VAL 60 -8.606 -0.739 4.341 505 H ASN 61 H ASN 61 -12.470 -2.223 2.811 506 HA ASN 61 HA ASN 61 -14.145 -4.305 3.733 507 HB2 ASN 61 2HB ASN 61 -14.570 -2.361 1.424 508 HB3 ASN 61 1HB ASN 61 -15.826 -3.397 2.096 509 HD21 ASN 61 1HD2 ASN 61 -15.830 -0.538 1.923 510 HD22 ASN 61 2HD2 ASN 61 -15.957 0.065 3.537 511 H SER 62 H SER 62 -12.404 -3.811 0.668 512 HA SER 62 HA SER 62 -13.457 -6.026 -0.778 513 HB2 SER 62 2HB SER 62 -10.779 -4.606 -1.148 514 HB3 SER 62 1HB SER 62 -11.557 -5.663 -2.332 515 HG SER 62 HG SER 62 -13.017 -3.496 -1.333 516 H LEU 63 H LEU 63 -10.716 -5.658 1.407 517 HA LEU 63 HA LEU 63 -9.474 -8.181 0.990 518 HB2 LEU 63 2HB LEU 63 -9.484 -6.534 3.548 519 HB3 LEU 63 1HB LEU 63 -8.281 -7.728 3.066 520 HG LEU 63 HG LEU 63 -8.773 -5.051 1.708 521 HD11 LEU 63 1HD1 LEU 63 -6.459 -5.916 3.453 522 HD12 LEU 63 2HD1 LEU 63 -7.733 -4.775 3.889 523 HD13 LEU 63 3HD1 LEU 63 -6.602 -4.375 2.600 524 HD21 LEU 63 3HD2 LEU 63 -8.048 -6.698 0.054 525 HD22 LEU 63 1HD2 LEU 63 -6.671 -7.150 1.066 526 HD23 LEU 63 2HD2 LEU 63 -6.764 -5.534 0.360 527 H ARG 64 H ARG 64 -12.012 -7.034 3.133 528 HA ARG 64 HA ARG 64 -12.449 -9.442 4.577 529 HB2 ARG 64 2HB ARG 64 -13.153 -7.217 5.395 530 HB3 ARG 64 1HB ARG 64 -14.298 -7.080 4.063 531 HG2 ARG 64 2HG ARG 64 -15.600 -8.961 4.960 532 HG3 ARG 64 1HG ARG 64 -14.428 -9.169 6.265 533 HD2 ARG 64 2HD ARG 64 -14.998 -6.991 7.184 534 HD3 ARG 64 1HD ARG 64 -16.071 -6.658 5.816 535 HE ARG 64 HE ARG 64 -16.906 -9.038 7.053 536 HH11 ARG 64 1HH1 ARG 64 -16.761 -5.613 7.843 537 HH12 ARG 64 2HH1 ARG 64 -18.184 -5.666 8.833 538 HH21 ARG 64 1HH2 ARG 64 -18.756 -9.086 8.335 539 HH22 ARG 64 2HH2 ARG 64 -19.319 -7.637 9.108 540 H ASP 65 H ASP 65 -13.795 -8.115 1.541 541 HA ASP 65 HA ASP 65 -15.791 -10.077 1.070 542 HB2 ASP 65 2HB ASP 65 -14.222 -8.386 -0.916 543 HB3 ASP 65 1HB ASP 65 -15.550 -9.438 -1.389 544 H GLU 66 H GLU 66 -12.322 -10.010 0.413 545 HA GLU 66 HA GLU 66 -12.180 -12.463 -1.080 546 HB2 GLU 66 2HB GLU 66 -10.037 -10.958 0.491 547 HB3 GLU 66 1HB GLU 66 -9.715 -12.314 -0.586 548 HG2 GLU 66 2HG GLU 66 -10.863 -9.630 -1.403 549 HG3 GLU 66 1HG GLU 66 -9.192 -10.148 -1.629 550 H GLY 67 H GLY 67 -12.394 -11.618 2.263 551 HA2 GLY 67 2HA GLY 67 -12.645 -12.915 4.148 552 HA3 GLY 67 1HA GLY 67 -12.443 -14.361 3.169 553 H LEU 68 H LEU 68 -10.139 -11.760 3.047 554 HA LEU 68 HA LEU 68 -7.926 -13.338 3.834 555 HB2 LEU 68 2HB LEU 68 -8.160 -10.300 3.711 556 HB3 LEU 68 1HB LEU 68 -6.655 -11.189 3.922 557 HG LEU 68 HG LEU 68 -8.417 -11.187 1.437 558 HD11 LEU 68 1HD1 LEU 68 -7.091 -9.148 1.704 559 HD12 LEU 68 2HD1 LEU 68 -6.492 -10.109 0.353 560 HD13 LEU 68 3HD1 LEU 68 -5.616 -10.104 1.890 561 HD21 LEU 68 3HD2 LEU 68 -6.692 -12.610 0.384 562 HD22 LEU 68 1HD2 LEU 68 -7.462 -13.430 1.743 563 HD23 LEU 68 2HD2 LEU 68 -5.848 -12.739 1.930 564 H LYS 69 H LYS 69 -7.019 -13.659 5.774 565 HA LYS 69 HA LYS 69 -8.303 -12.957 8.223 566 HB2 LYS 69 2HB LYS 69 -6.314 -14.040 9.276 567 HB3 LYS 69 1HB LYS 69 -7.035 -15.039 8.022 568 HG2 LYS 69 2HG LYS 69 -5.249 -14.247 6.449 569 HG3 LYS 69 1HG LYS 69 -4.485 -13.410 7.800 570 HD2 LYS 69 2HD LYS 69 -5.000 -16.413 7.763 571 HD3 LYS 69 1HD LYS 69 -3.507 -15.682 7.188 572 HE2 LYS 69 2HE LYS 69 -3.089 -16.444 9.411 573 HE3 LYS 69 1HE LYS 69 -3.202 -14.691 9.503 574 HZ1 LYS 69 3HZ LYS 69 -5.355 -16.599 10.225 575 HZ2 LYS 69 1HZ LYS 69 -5.439 -14.917 10.364 576 HZ3 LYS 69 2HZ LYS 69 -4.348 -15.788 11.311 577 H ARG 70 H ARG 70 -7.594 -11.431 9.802 578 HA ARG 70 HA ARG 70 -6.674 -8.975 8.821 579 HB2 ARG 70 2HB ARG 70 -6.712 -8.139 11.084 580 HB3 ARG 70 1HB ARG 70 -8.091 -9.209 10.862 581 HG2 ARG 70 2HG ARG 70 -7.076 -10.944 12.158 582 HG3 ARG 70 1HG ARG 70 -5.512 -10.124 12.166 583 HD2 ARG 70 2HD ARG 70 -6.509 -8.293 13.532 584 HD3 ARG 70 1HD ARG 70 -8.043 -9.175 13.557 585 HE ARG 70 HE ARG 70 -7.136 -10.737 14.996 586 HH11 ARG 70 1HH1 ARG 70 -4.555 -8.538 14.056 587 HH12 ARG 70 2HH1 ARG 70 -3.541 -8.998 15.380 588 HH21 ARG 70 1HH2 ARG 70 -5.808 -11.279 16.736 589 HH22 ARG 70 2HH2 ARG 70 -4.249 -10.531 16.893 590 H GLY 71 H GLY 71 -4.825 -11.704 9.923 591 HA2 GLY 71 2HA GLY 71 -2.298 -10.539 10.309 592 HA3 GLY 71 1HA GLY 71 -2.591 -12.159 9.687 593 H THR 72 H THR 72 -3.650 -11.935 7.311 594 HA THR 72 HA THR 72 -1.638 -11.107 5.526 595 HB THR 72 HB THR 72 -4.592 -11.595 4.899 596 HG1 THR 72 HG1 THR 72 -3.893 -13.736 4.520 597 HG21 THR 72 3HG2 THR 72 -3.787 -12.204 2.625 598 HG22 THR 72 1HG2 THR 72 -2.149 -11.737 3.077 599 HG23 THR 72 2HG2 THR 72 -3.425 -10.516 2.997 600 H ILE 73 H ILE 73 -4.678 -9.568 6.503 601 HA ILE 73 HA ILE 73 -4.612 -7.293 4.858 602 HB ILE 73 HB ILE 73 -5.885 -7.626 7.616 603 HG12 ILE 73 2HG1 ILE 73 -7.109 -7.880 4.827 604 HG13 ILE 73 1HG1 ILE 73 -6.731 -9.227 5.896 605 HG21 ILE 73 1HG2 ILE 73 -7.334 -5.692 7.040 606 HG22 ILE 73 2HG2 ILE 73 -6.401 -5.440 5.564 607 HG23 ILE 73 3HG2 ILE 73 -5.633 -5.233 7.135 608 HD11 ILE 73 3HD1 ILE 73 -9.101 -8.760 5.915 609 HD12 ILE 73 1HD1 ILE 73 -8.805 -7.083 6.374 610 HD13 ILE 73 2HD1 ILE 73 -8.417 -8.387 7.498 611 H GLU 74 H GLU 74 -3.293 -7.878 8.109 612 HA GLU 74 HA GLU 74 -2.450 -5.257 8.715 613 HB2 GLU 74 2HB GLU 74 -2.656 -7.095 10.394 614 HB3 GLU 74 1HB GLU 74 -1.244 -7.883 9.699 615 HG2 GLU 74 2HG GLU 74 0.144 -5.926 10.354 616 HG3 GLU 74 1HG GLU 74 -1.281 -5.162 11.055 617 H LYS 75 H LYS 75 -0.830 -7.964 7.110 618 HA LYS 75 HA LYS 75 1.797 -6.957 6.965 619 HB2 LYS 75 2HB LYS 75 0.321 -8.873 5.112 620 HB3 LYS 75 1HB LYS 75 2.061 -8.602 5.060 621 HG2 LYS 75 2HG LYS 75 2.327 -9.528 7.292 622 HG3 LYS 75 1HG LYS 75 0.578 -9.672 7.481 623 HD2 LYS 75 2HD LYS 75 0.499 -11.332 5.659 624 HD3 LYS 75 1HD LYS 75 2.243 -11.166 5.412 625 HE2 LYS 75 2HE LYS 75 2.646 -12.052 7.682 626 HE3 LYS 75 1HE LYS 75 0.905 -12.199 7.945 627 HZ1 LYS 75 3HZ LYS 75 0.791 -13.809 6.191 628 HZ2 LYS 75 1HZ LYS 75 1.962 -14.293 7.306 629 HZ3 LYS 75 2HZ LYS 75 2.427 -13.617 5.830 630 H ILE 76 H ILE 76 -0.889 -6.810 4.637 631 HA ILE 76 HA ILE 76 0.627 -5.394 2.647 632 HB ILE 76 HB ILE 76 -1.374 -5.348 1.289 633 HG12 ILE 76 2HG1 ILE 76 -2.895 -6.172 3.803 634 HG13 ILE 76 1HG1 ILE 76 -3.115 -4.690 2.879 635 HG21 ILE 76 1HG2 ILE 76 -1.864 -7.729 1.116 636 HG22 ILE 76 2HG2 ILE 76 -1.326 -7.999 2.776 637 HG23 ILE 76 3HG2 ILE 76 -0.167 -7.519 1.544 638 HD11 ILE 76 3HD1 ILE 76 -4.913 -6.227 2.487 639 HD12 ILE 76 1HD1 ILE 76 -3.796 -7.487 1.986 640 HD13 ILE 76 2HD1 ILE 76 -3.984 -6.028 1.005 641 H ILE 77 H ILE 77 -1.629 -4.453 5.202 642 HA ILE 77 HA ILE 77 -1.880 -1.708 4.511 643 HB ILE 77 HB ILE 77 -2.248 -3.176 7.157 644 HG12 ILE 77 2HG1 ILE 77 -3.988 -3.612 5.450 645 HG13 ILE 77 1HG1 ILE 77 -4.672 -2.704 6.791 646 HG21 ILE 77 1HG2 ILE 77 -2.753 -0.207 6.722 647 HG22 ILE 77 2HG2 ILE 77 -1.544 -0.921 7.789 648 HG23 ILE 77 3HG2 ILE 77 -3.259 -1.131 8.141 649 HD11 ILE 77 3HD1 ILE 77 -5.519 -1.905 4.677 650 HD12 ILE 77 1HD1 ILE 77 -3.885 -1.584 4.100 651 HD13 ILE 77 2HD1 ILE 77 -4.548 -0.650 5.445 652 H LYS 78 H LYS 78 0.550 -3.509 6.418 653 HA LYS 78 HA LYS 78 2.018 -1.253 7.351 654 HB2 LYS 78 2HB LYS 78 3.016 -4.085 6.829 655 HB3 LYS 78 1HB LYS 78 3.960 -2.836 7.635 656 HG2 LYS 78 2HG LYS 78 1.423 -4.145 8.634 657 HG3 LYS 78 1HG LYS 78 3.050 -4.326 9.287 658 HD2 LYS 78 2HD LYS 78 3.000 -1.876 9.898 659 HD3 LYS 78 1HD LYS 78 1.316 -1.819 9.360 660 HE2 LYS 78 2HE LYS 78 1.473 -2.086 11.813 661 HE3 LYS 78 1HE LYS 78 0.706 -3.494 11.072 662 HZ1 LYS 78 3HZ LYS 78 2.791 -4.682 11.229 663 HZ2 LYS 78 1HZ LYS 78 2.341 -4.105 12.752 664 HZ3 LYS 78 2HZ LYS 78 3.563 -3.325 11.881 665 H VAL 79 H VAL 79 2.176 -3.159 4.387 666 HA VAL 79 HA VAL 79 4.480 -1.987 3.224 667 HB VAL 79 HB VAL 79 2.079 -3.296 1.843 668 HG11 VAL 79 1HG1 VAL 79 4.875 -2.784 0.762 669 HG12 VAL 79 2HG1 VAL 79 3.402 -1.967 0.243 670 HG13 VAL 79 3HG1 VAL 79 3.608 -3.691 -0.068 671 HG21 VAL 79 3HG2 VAL 79 4.737 -4.529 2.691 672 HG22 VAL 79 1HG2 VAL 79 3.458 -5.351 1.791 673 HG23 VAL 79 2HG2 VAL 79 3.173 -4.828 3.448 674 H ILE 80 H ILE 80 0.991 -1.239 2.887 675 HA ILE 80 HA ILE 80 1.231 0.907 1.045 676 HB ILE 80 HB ILE 80 -1.000 0.305 3.044 677 HG12 ILE 80 2HG1 ILE 80 -0.822 -0.292 0.055 678 HG13 ILE 80 1HG1 ILE 80 -0.584 -1.479 1.333 679 HG21 ILE 80 1HG2 ILE 80 -2.474 1.761 1.679 680 HG22 ILE 80 2HG2 ILE 80 -1.102 2.210 0.666 681 HG23 ILE 80 3HG2 ILE 80 -1.132 2.683 2.363 682 HD11 ILE 80 3HD1 ILE 80 -2.920 -1.174 2.039 683 HD12 ILE 80 1HD1 ILE 80 -2.792 -1.676 0.353 684 HD13 ILE 80 2HD1 ILE 80 -3.150 0.004 0.742 685 H ARG 81 H ARG 81 0.912 0.887 4.578 686 HA ARG 81 HA ARG 81 1.052 3.621 5.121 687 HB2 ARG 81 2HB ARG 81 2.008 1.263 6.793 688 HB3 ARG 81 1HB ARG 81 2.029 2.923 7.387 689 HG2 ARG 81 2HG ARG 81 -0.432 3.037 7.079 690 HG3 ARG 81 1HG ARG 81 -0.429 1.350 6.559 691 HD2 ARG 81 2HD ARG 81 -1.086 1.534 8.914 692 HD3 ARG 81 1HD ARG 81 0.452 0.674 8.769 693 HE ARG 81 HE ARG 81 1.276 3.201 9.180 694 HH11 ARG 81 1HH1 ARG 81 -1.078 1.296 10.946 695 HH12 ARG 81 2HH1 ARG 81 -0.754 2.078 12.456 696 HH21 ARG 81 1HH2 ARG 81 1.706 4.214 11.148 697 HH22 ARG 81 2HH2 ARG 81 0.835 3.741 12.573 698 H ASN 82 H ASN 82 3.664 1.239 4.710 699 HA ASN 82 HA ASN 82 5.790 3.005 5.422 700 HB2 ASN 82 2HB ASN 82 5.905 0.500 5.577 701 HB3 ASN 82 1HB ASN 82 5.965 0.420 3.821 702 HD21 ASN 82 1HD2 ASN 82 7.639 2.842 5.814 703 HD22 ASN 82 2HD2 ASN 82 9.228 2.293 5.432 704 H SER 83 H SER 83 4.214 2.153 2.388 705 HA SER 83 HA SER 83 5.942 3.515 0.601 706 HB2 SER 83 2HB SER 83 2.945 2.967 0.373 707 HB3 SER 83 1HB SER 83 3.974 3.522 -0.951 708 HG SER 83 HG SER 83 4.674 1.196 0.464 709 H LEU 84 H LEU 84 2.932 4.545 2.254 710 HA LEU 84 HA LEU 84 2.950 7.178 1.168 711 HB2 LEU 84 2HB LEU 84 1.376 6.051 3.504 712 HB3 LEU 84 1HB LEU 84 1.072 7.607 2.746 713 HG LEU 84 HG LEU 84 0.698 4.861 1.479 714 HD11 LEU 84 1HD1 LEU 84 -1.339 6.993 2.177 715 HD12 LEU 84 2HD1 LEU 84 -1.076 5.476 3.038 716 HD13 LEU 84 3HD1 LEU 84 -1.673 5.451 1.381 717 HD21 LEU 84 3HD2 LEU 84 0.316 7.579 0.170 718 HD22 LEU 84 1HD2 LEU 84 -0.158 6.025 -0.524 719 HD23 LEU 84 2HD2 LEU 84 1.544 6.378 -0.242 720 H GLU 85 H GLU 85 4.321 5.818 4.102 721 HA GLU 85 HA GLU 85 4.940 8.239 5.484 722 HB2 GLU 85 2HB GLU 85 6.121 5.436 5.589 723 HB3 GLU 85 1HB GLU 85 6.827 6.745 6.531 724 HG2 GLU 85 2HG GLU 85 3.958 5.777 6.767 725 HG3 GLU 85 1HG GLU 85 5.281 5.315 7.836 726 H HIS 86 H HIS 86 6.707 6.199 3.184 727 HA HIS 86 HA HIS 86 9.059 7.821 3.040 728 HB2 HIS 86 2HB HIS 86 9.068 5.402 2.484 729 HB3 HIS 86 1HB HIS 86 8.004 5.707 1.114 730 HD1 HIS 86 HD1 HIS 86 11.506 6.668 2.293 731 HD2 HIS 86 HD2 HIS 86 9.378 6.102 -1.227 732 HE1 HIS 86 HE1 HIS 86 13.185 6.916 0.445 733 HE2 HIS 86 HE2 HIS 86 11.831 6.766 -1.677 734 H ALA 87 H ALA 87 5.940 7.873 1.484 735 HA ALA 87 HA ALA 87 6.621 9.588 -0.700 736 HB1 ALA 87 3HB ALA 87 4.632 8.144 -0.760 737 HB2 ALA 87 1HB ALA 87 4.195 9.840 -1.001 738 HB3 ALA 87 2HB ALA 87 3.910 9.064 0.560 739 H ILE 88 H ILE 88 5.321 10.176 2.593 740 HA ILE 88 HA ILE 88 5.212 13.023 2.400 741 HB ILE 88 HB ILE 88 5.617 11.318 4.903 742 HG12 ILE 88 2HG1 ILE 88 3.047 12.469 3.709 743 HG13 ILE 88 1HG1 ILE 88 3.509 10.771 3.694 744 HG21 ILE 88 1HG2 ILE 88 6.277 13.662 5.329 745 HG22 ILE 88 2HG2 ILE 88 4.778 13.288 6.176 746 HG23 ILE 88 3HG2 ILE 88 4.731 14.230 4.685 747 HD11 ILE 88 3HD1 ILE 88 2.872 12.417 6.143 748 HD12 ILE 88 1HD1 ILE 88 3.355 10.717 6.142 749 HD13 ILE 88 2HD1 ILE 88 1.842 11.205 5.384 750 H ASP 89 H ASP 89 7.761 10.749 3.260 751 HA ASP 89 HA ASP 89 9.819 12.533 4.011 752 HB2 ASP 89 2HB ASP 89 10.050 10.190 4.520 753 HB3 ASP 89 1HB ASP 89 9.818 9.726 2.841 754 H LEU 90 H LEU 90 8.809 11.297 0.830 755 HA LEU 90 HA LEU 90 10.845 12.778 -0.635 756 HB2 LEU 90 2HB LEU 90 8.475 11.151 -1.621 757 HB3 LEU 90 1HB LEU 90 9.704 11.860 -2.658 758 HG LEU 90 HG LEU 90 10.092 9.593 -0.665 759 HD11 LEU 90 1HD1 LEU 90 8.993 8.911 -2.730 760 HD12 LEU 90 2HD1 LEU 90 10.623 8.248 -2.643 761 HD13 LEU 90 3HD1 LEU 90 10.287 9.631 -3.690 762 HD21 LEU 90 3HD2 LEU 90 12.434 9.477 -1.451 763 HD22 LEU 90 1HD2 LEU 90 12.087 10.983 -0.600 764 HD23 LEU 90 2HD2 LEU 90 12.199 10.971 -2.361 765 H GLU 91 H GLU 91 7.955 13.603 0.785 766 HA GLU 91 HA GLU 91 6.618 15.410 0.809 767 HB2 GLU 91 2HB GLU 91 8.634 16.631 -1.123 768 HB3 GLU 91 1HB GLU 91 7.372 17.533 -0.285 769 HG2 GLU 91 2HG GLU 91 8.393 16.970 1.885 770 HG3 GLU 91 1HG GLU 91 9.639 16.028 1.067 771 H LEU 92 H LEU 92 6.429 13.265 -1.295 772 HA LEU 92 HA LEU 92 5.040 14.200 -3.581 773 HB2 LEU 92 2HB LEU 92 4.798 11.546 -2.114 774 HB3 LEU 92 1HB LEU 92 4.274 11.853 -3.766 775 HG LEU 92 HG LEU 92 7.164 11.975 -2.824 776 HD11 LEU 92 1HD1 LEU 92 6.343 9.686 -2.690 777 HD12 LEU 92 2HD1 LEU 92 7.484 9.853 -4.019 778 HD13 LEU 92 3HD1 LEU 92 5.753 9.772 -4.355 779 HD21 LEU 92 3HD2 LEU 92 6.749 13.427 -4.756 780 HD22 LEU 92 1HD2 LEU 92 6.019 12.075 -5.633 781 HD23 LEU 92 2HD2 LEU 92 7.734 12.041 -5.214 782 H ILE 93 H ILE 93 4.036 13.232 -0.353 783 HA ILE 93 HA ILE 93 1.403 14.504 -0.683 784 HB ILE 93 HB ILE 93 0.265 12.734 0.658 785 HG12 ILE 93 2HG1 ILE 93 2.809 11.083 0.288 786 HG13 ILE 93 1HG1 ILE 93 2.301 11.819 1.803 787 HG21 ILE 93 1HG2 ILE 93 0.040 12.657 -1.789 788 HG22 ILE 93 2HG2 ILE 93 0.027 11.028 -1.115 789 HG23 ILE 93 3HG2 ILE 93 1.479 11.639 -1.909 790 HD11 ILE 93 3HD1 ILE 93 0.309 10.387 1.809 791 HD12 ILE 93 1HD1 ILE 93 1.807 9.459 1.774 792 HD13 ILE 93 2HD1 ILE 93 0.852 9.643 0.305 793 H THR 94 H THR 94 0.475 15.052 1.425 794 HA THR 94 HA THR 94 2.566 15.774 3.402 795 HB THR 94 HB THR 94 1.044 17.721 3.929 796 HG1 THR 94 HG1 THR 94 -0.932 17.554 3.198 797 HG21 THR 94 3HG2 THR 94 1.481 19.023 1.867 798 HG22 THR 94 1HG2 THR 94 1.837 17.531 0.991 799 HG23 THR 94 2HG2 THR 94 2.890 18.056 2.308 800 H LYS 95 H LYS 95 0.317 13.464 3.073 801 HA LYS 95 HA LYS 95 -0.365 13.246 5.884 802 HB2 LYS 95 2HB LYS 95 -2.124 14.778 5.110 803 HB3 LYS 95 1HB LYS 95 -2.485 13.729 3.745 804 HG2 LYS 95 2HG LYS 95 -3.260 11.965 5.361 805 HG3 LYS 95 1HG LYS 95 -2.992 13.109 6.682 806 HD2 LYS 95 2HD LYS 95 -5.377 13.013 5.991 807 HD3 LYS 95 1HD LYS 95 -4.694 14.622 5.758 808 HE2 LYS 95 2HE LYS 95 -4.458 14.198 3.351 809 HE3 LYS 95 1HE LYS 95 -5.029 12.543 3.560 810 HZ1 LYS 95 3HZ LYS 95 -6.745 14.007 2.742 811 HZ2 LYS 95 1HZ LYS 95 -6.605 14.989 4.107 812 HZ3 LYS 95 2HZ LYS 95 -7.156 13.400 4.263 813 H ASN 96 H ASN 96 -0.198 11.121 6.350 814 HA ASN 96 HA ASN 96 -0.449 9.066 4.270 815 HB2 ASN 96 2HB ASN 96 1.462 9.044 5.940 816 HB3 ASN 96 1HB ASN 96 0.291 8.735 7.214 817 HD21 ASN 96 1HD2 ASN 96 2.549 7.125 6.338 818 HD22 ASN 96 2HD2 ASN 96 1.921 5.584 5.888 819 H VAL 97 H VAL 97 -2.538 8.691 3.837 820 HA VAL 97 HA VAL 97 -4.679 8.755 5.744 821 HB VAL 97 HB VAL 97 -6.085 7.860 3.829 822 HG11 VAL 97 1HG1 VAL 97 -4.379 10.299 3.165 823 HG12 VAL 97 2HG1 VAL 97 -5.832 10.297 4.167 824 HG13 VAL 97 3HG1 VAL 97 -5.948 9.909 2.450 825 HG21 VAL 97 3HG2 VAL 97 -4.342 6.524 2.668 826 HG22 VAL 97 1HG2 VAL 97 -3.469 8.005 2.259 827 HG23 VAL 97 2HG2 VAL 97 -5.065 7.699 1.568 828 H ALA 98 H ALA 98 -2.434 6.299 4.850 829 HA ALA 98 HA ALA 98 -4.158 4.021 5.491 830 HB1 ALA 98 3HB ALA 98 -2.507 3.795 3.688 831 HB2 ALA 98 1HB ALA 98 -2.169 2.649 4.991 832 HB3 ALA 98 2HB ALA 98 -1.196 4.114 4.823 833 H ALA 99 H ALA 99 -1.760 6.058 7.028 834 HA ALA 99 HA ALA 99 -1.324 4.492 9.378 835 HB1 ALA 99 3HB ALA 99 0.216 6.289 8.693 836 HB2 ALA 99 1HB ALA 99 -0.384 6.563 10.330 837 HB3 ALA 99 2HB ALA 99 -1.044 7.490 8.977 838 H LYS 100 H LYS 100 -3.836 6.650 8.303 839 HA LYS 100 HA LYS 100 -5.185 6.963 10.837 840 HB2 LYS 100 2HB LYS 100 -6.269 7.317 8.012 841 HB3 LYS 100 1HB LYS 100 -7.008 7.925 9.490 842 HG2 LYS 100 2HG LYS 100 -4.385 8.839 8.267 843 HG3 LYS 100 1HG LYS 100 -5.910 9.729 8.272 844 HD2 LYS 100 2HD LYS 100 -4.192 9.047 10.697 845 HD3 LYS 100 1HD LYS 100 -4.399 10.640 9.966 846 HE2 LYS 100 2HE LYS 100 -6.528 9.018 11.409 847 HE3 LYS 100 1HE LYS 100 -5.751 10.490 11.991 848 HZ1 LYS 100 3HZ LYS 100 -7.929 10.965 11.124 849 HZ2 LYS 100 1HZ LYS 100 -7.542 10.270 9.632 850 HZ3 LYS 100 2HZ LYS 100 -6.767 11.687 10.132 851 H THR 101 H THR 101 -5.006 4.559 8.397 852 HA THR 101 HA THR 101 -7.540 3.254 9.015 853 HB THR 101 HB THR 101 -5.350 2.469 7.038 854 HG1 THR 101 HG1 THR 101 -6.121 4.322 6.263 855 HG21 THR 101 3HG2 THR 101 -7.105 1.129 5.929 856 HG22 THR 101 1HG2 THR 101 -8.254 1.561 7.198 857 HG23 THR 101 2HG2 THR 101 -6.848 0.565 7.581 858 H LYS 102 H LYS 102 -7.357 2.392 11.028 859 HA LYS 102 HA LYS 102 -5.125 0.734 11.857 860 HB2 LYS 102 2HB LYS 102 -7.839 1.208 13.177 861 HB3 LYS 102 1HB LYS 102 -6.478 0.362 13.916 862 HG2 LYS 102 2HG LYS 102 -5.137 2.443 13.817 863 HG3 LYS 102 1HG LYS 102 -6.508 3.296 13.097 864 HD2 LYS 102 2HD LYS 102 -6.465 2.012 15.862 865 HD3 LYS 102 1HD LYS 102 -6.286 3.737 15.533 866 HE2 LYS 102 2HE LYS 102 -8.565 3.843 14.648 867 HE3 LYS 102 1HE LYS 102 -8.748 2.098 14.822 868 HZ1 LYS 102 3HZ LYS 102 -9.820 3.218 16.617 869 HZ2 LYS 102 1HZ LYS 102 -8.404 4.050 17.022 870 HZ3 LYS 102 2HZ LYS 102 -8.486 2.375 17.218 871 H LEU 103 H LEU 103 -5.426 -1.509 12.482 872 HA LEU 103 HA LEU 103 -6.510 -3.084 10.382 873 HB2 LEU 103 2HB LEU 103 -4.473 -3.667 11.695 874 HB3 LEU 103 1HB LEU 103 -5.473 -3.931 13.113 875 HG LEU 103 HG LEU 103 -6.631 -5.811 11.884 876 HD11 LEU 103 1HD1 LEU 103 -6.202 -5.099 9.588 877 HD12 LEU 103 2HD1 LEU 103 -5.596 -6.729 9.860 878 HD13 LEU 103 3HD1 LEU 103 -4.470 -5.372 9.803 879 HD21 LEU 103 3HD2 LEU 103 -3.625 -6.116 12.212 880 HD22 LEU 103 1HD2 LEU 103 -4.797 -7.436 12.127 881 HD23 LEU 103 2HD2 LEU 103 -4.840 -6.307 13.479 882 HA PRO 104 HA PRO 104 -10.687 -3.740 12.219 883 HB2 PRO 104 2HB PRO 104 -11.527 -5.696 10.455 884 HB3 PRO 104 1HB PRO 104 -11.582 -3.965 10.082 885 HG2 PRO 104 2HG PRO 104 -9.469 -5.995 9.334 886 HG3 PRO 104 1HG PRO 104 -10.252 -4.775 8.306 887 HD2 PRO 104 2HD PRO 104 -7.804 -4.336 9.332 888 HD3 PRO 104 1HD PRO 104 -8.982 -3.005 9.219 889 H LYS 105 H LYS 105 -10.605 -4.792 14.101 890 HA LYS 105 HA LYS 105 -9.049 -7.085 14.696 891 HB2 LYS 105 2HB LYS 105 -11.430 -5.972 16.241 892 HB3 LYS 105 1HB LYS 105 -10.218 -7.084 16.869 893 HG2 LYS 105 2HG LYS 105 -8.497 -5.345 16.669 894 HG3 LYS 105 1HG LYS 105 -9.684 -4.230 15.988 895 HD2 LYS 105 2HD LYS 105 -9.922 -5.447 18.776 896 HD3 LYS 105 1HD LYS 105 -9.154 -3.894 18.455 897 HE2 LYS 105 2HE LYS 105 -11.422 -3.507 19.232 898 HE3 LYS 105 1HE LYS 105 -11.321 -3.046 17.536 899 HZ1 LYS 105 3HZ LYS 105 -13.347 -4.306 18.188 900 HZ2 LYS 105 1HZ LYS 105 -12.377 -5.663 18.458 901 HZ3 LYS 105 2HZ LYS 105 -12.487 -4.995 16.908 902 H ALA 106 H ALA 106 -9.647 -9.218 14.936 903 HA ALA 106 HA ALA 106 -12.372 -10.092 14.115 904 HB1 ALA 106 3HB ALA 106 -9.741 -11.340 13.211 905 HB2 ALA 106 1HB ALA 106 -10.821 -10.370 12.204 906 HB3 ALA 106 2HB ALA 106 -11.358 -11.932 12.821 907 H ASP 107 H ASP 107 -10.858 -9.738 16.697 908 HA ASP 107 HA ASP 107 -10.520 -12.490 17.713 909 HB2 ASP 107 2HB ASP 107 -9.354 -9.805 18.582 910 HB3 ASP 107 1HB ASP 107 -9.265 -11.233 19.609 911 H LYS 108 H LYS 108 -10.776 -12.395 20.222 912 HA LYS 108 HA LYS 108 -13.363 -11.169 20.958 913 HB2 LYS 108 2HB LYS 108 -13.439 -12.964 22.740 914 HB3 LYS 108 1HB LYS 108 -13.522 -13.580 21.094 915 HG2 LYS 108 2HG LYS 108 -11.181 -14.294 21.198 916 HG3 LYS 108 1HG LYS 108 -11.005 -13.569 22.798 917 HD2 LYS 108 2HD LYS 108 -12.682 -15.169 23.692 918 HD3 LYS 108 1HD LYS 108 -12.817 -15.912 22.094 919 HE2 LYS 108 2HE LYS 108 -10.429 -16.563 22.199 920 HE3 LYS 108 1HE LYS 108 -10.293 -15.806 23.789 921 HZ1 LYS 108 3HZ LYS 108 -12.032 -18.107 23.098 922 HZ2 LYS 108 1HZ LYS 108 -11.930 -17.373 24.619 923 HZ3 LYS 108 2HZ LYS 108 -10.590 -18.173 23.976 924 H GLU 109 H GLU 109 -12.877 -9.250 21.932 925 HA GLU 109 HA GLU 109 -10.449 -8.835 23.439 926 HB2 GLU 109 2HB GLU 109 -12.863 -7.052 22.937 927 HB3 GLU 109 1HB GLU 109 -11.552 -6.567 24.001 928 HG2 GLU 109 2HG GLU 109 -11.137 -5.531 21.909 929 HG3 GLU 109 1HG GLU 109 -9.965 -6.839 22.063 930 H GLU 110 H GLU 110 -10.464 -7.961 25.630 931 HA GLU 110 HA GLU 110 -11.879 -9.638 27.486 932 HB2 GLU 110 2HB GLU 110 -10.027 -7.265 27.972 933 HB3 GLU 110 1HB GLU 110 -10.601 -8.381 29.212 934 HG2 GLU 110 2HG GLU 110 -9.437 -10.246 28.020 935 HG3 GLU 110 1HG GLU 110 -8.806 -9.081 26.855 936 H LEU 111 H LEU 111 -14.019 -9.204 27.305 937 HA LEU 111 HA LEU 111 -15.268 -6.723 26.883 938 HB2 LEU 111 2HB LEU 111 -16.398 -9.296 28.052 939 HB3 LEU 111 1HB LEU 111 -17.373 -7.952 27.465 940 HG LEU 111 HG LEU 111 -15.495 -9.614 25.726 941 HD11 LEU 111 1HD1 LEU 111 -17.504 -10.646 24.785 942 HD12 LEU 111 2HD1 LEU 111 -18.520 -9.753 25.920 943 HD13 LEU 111 3HD1 LEU 111 -17.384 -10.964 26.517 944 HD21 LEU 111 3HD2 LEU 111 -15.784 -7.319 24.884 945 HD22 LEU 111 1HD2 LEU 111 -17.539 -7.502 24.939 946 HD23 LEU 111 2HD2 LEU 111 -16.579 -8.483 23.828 947 H GLU 112 H GLU 112 -14.687 -8.558 29.851 948 HA GLU 112 HA GLU 112 -16.062 -6.820 31.642 949 HB2 GLU 112 2HB GLU 112 -15.415 -9.263 32.058 950 HB3 GLU 112 1HB GLU 112 -13.765 -8.723 32.321 951 HG2 GLU 112 2HG GLU 112 -16.154 -7.835 33.977 952 HG3 GLU 112 1HG GLU 112 -15.091 -9.165 34.414 953 H HIS 113 H HIS 113 -12.614 -7.134 30.710 954 HA HIS 113 HA HIS 113 -11.722 -5.044 32.469 955 HB2 HIS 113 2HB HIS 113 -10.301 -6.441 30.172 956 HB3 HIS 113 1HB HIS 113 -9.525 -5.281 31.246 957 HD1 HIS 113 HD1 HIS 113 -9.907 -8.806 30.881 958 HD2 HIS 113 HD2 HIS 113 -9.883 -6.201 34.119 959 HE1 HIS 113 HE1 HIS 113 -9.428 -10.226 32.888 960 HE2 HIS 113 HE2 HIS 113 -9.547 -8.659 34.844 961 H HIS 114 H HIS 114 -13.217 -4.960 29.400 962 HA HIS 114 HA HIS 114 -12.640 -2.057 29.170 963 HB2 HIS 114 2HB HIS 114 -11.597 -3.543 27.327 964 HB3 HIS 114 1HB HIS 114 -13.236 -3.920 26.810 965 HD1 HIS 114 HD1 HIS 114 -10.709 -1.128 26.865 966 HD2 HIS 114 HD2 HIS 114 -14.501 -1.875 25.329 967 HE1 HIS 114 HE1 HIS 114 -11.166 0.742 25.252 968 HE2 HIS 114 HE2 HIS 114 -13.401 0.190 24.235 969 H HIS 115 H HIS 115 -14.620 -3.113 30.826 970 HA HIS 115 HA HIS 115 -17.144 -3.471 29.594 971 HB2 HIS 115 2HB HIS 115 -18.126 -3.116 31.892 972 HB3 HIS 115 1HB HIS 115 -16.881 -4.348 31.808 973 HD1 HIS 115 HD1 HIS 115 -15.474 -4.311 33.830 974 HD2 HIS 115 HD2 HIS 115 -16.747 -0.489 32.820 975 HE1 HIS 115 HE1 HIS 115 -14.536 -2.802 35.595 976 HE2 HIS 115 HE2 HIS 115 -15.534 -0.556 35.099 977 H HIS 116 H HIS 116 -18.939 -2.138 29.473 978 HA HIS 116 HA HIS 116 -18.286 0.515 28.495 979 HB2 HIS 116 2HB HIS 116 -20.921 -1.035 28.473 980 HB3 HIS 116 1HB HIS 116 -20.665 0.520 27.682 981 HD1 HIS 116 HD1 HIS 116 -21.420 -2.198 26.230 982 HD2 HIS 116 HD2 HIS 116 -17.642 -0.474 26.401 983 HE1 HIS 116 HE1 HIS 116 -20.183 -3.101 24.241 984 HE2 HIS 116 HE2 HIS 116 -17.901 -2.037 24.359 985 H HIS 117 H HIS 117 -18.096 2.052 29.976 986 HA HIS 117 HA HIS 117 -19.309 2.014 32.569 987 HB2 HIS 117 2HB HIS 117 -17.728 4.233 31.189 988 HB3 HIS 117 1HB HIS 117 -18.161 4.212 32.895 989 HD1 HIS 117 HD1 HIS 117 -15.581 3.094 30.544 990 HD2 HIS 117 HD2 HIS 117 -16.794 2.118 34.398 991 HE1 HIS 117 HE1 HIS 117 -13.639 1.881 31.564 992 HE2 HIS 117 HE2 HIS 117 -14.320 1.494 33.956 993 H HIS 118 H HIS 118 -21.589 1.943 31.805 994 HA HIS 118 HA HIS 118 -22.763 4.461 30.907 995 HB2 HIS 118 2HB HIS 118 -23.623 2.287 30.034 996 HB3 HIS 118 1HB HIS 118 -24.080 1.802 31.664 997 HD1 HIS 118 HD1 HIS 118 -25.009 4.289 28.959 998 HD2 HIS 118 HD2 HIS 118 -26.569 2.737 32.484 999 HE1 HIS 118 HE1 HIS 118 -27.362 5.152 29.093 1000 HE2 HIS 118 HE2 HIS 118 -28.331 4.066 31.145 Start of MODEL 4 1 H1 MET 1 1H MET 1 7.307 21.855 -6.175 2 H2 MET 1 2H MET 1 6.944 22.085 -7.808 3 H3 MET 1 3H MET 1 7.388 20.556 -7.251 4 HA MET 1 HA MET 1 5.418 20.361 -5.950 5 HB2 MET 1 2HB MET 1 4.748 23.130 -7.063 6 HB3 MET 1 1HB MET 1 3.623 22.120 -6.169 7 HG2 MET 1 2HG MET 1 5.064 22.255 -4.189 8 HG3 MET 1 1HG MET 1 6.208 23.257 -5.088 9 HE1 MET 1 3HE MET 1 4.577 25.820 -2.575 10 HE2 MET 1 1HE MET 1 6.082 25.097 -3.138 11 HE3 MET 1 2HE MET 1 4.915 24.122 -2.243 12 H GLU 2 H GLU 2 6.003 18.882 -7.754 13 HA GLU 2 HA GLU 2 4.980 19.222 -10.391 14 HB2 GLU 2 2HB GLU 2 5.900 16.692 -8.956 15 HB3 GLU 2 1HB GLU 2 5.590 16.805 -10.679 16 HG2 GLU 2 2HG GLU 2 7.951 16.854 -10.410 17 HG3 GLU 2 1HG GLU 2 7.470 18.504 -10.819 18 HA PRO 3 HA PRO 3 0.697 18.012 -9.623 19 HB2 PRO 3 2HB PRO 3 -0.040 17.163 -12.138 20 HB3 PRO 3 1HB PRO 3 0.170 18.868 -11.717 21 HG2 PRO 3 2HG PRO 3 2.115 17.003 -13.077 22 HG3 PRO 3 1HG PRO 3 1.668 18.667 -13.522 23 HD2 PRO 3 2HD PRO 3 3.946 18.139 -12.163 24 HD3 PRO 3 1HD PRO 3 2.997 19.609 -11.834 25 H SER 4 H SER 4 -0.785 15.972 -10.552 26 HA SER 4 HA SER 4 0.318 13.764 -9.028 27 HB2 SER 4 2HB SER 4 -2.053 14.683 -8.768 28 HB3 SER 4 1HB SER 4 -2.440 13.940 -10.317 29 HG SER 4 HG SER 4 -1.524 11.955 -9.236 30 H LYS 5 H LYS 5 1.576 14.211 -11.617 31 HA LYS 5 HA LYS 5 0.913 12.093 -13.452 32 HB2 LYS 5 2HB LYS 5 3.439 13.784 -13.151 33 HB3 LYS 5 1HB LYS 5 3.123 12.692 -14.496 34 HG2 LYS 5 2HG LYS 5 1.256 14.061 -15.233 35 HG3 LYS 5 1HG LYS 5 1.408 15.097 -13.811 36 HD2 LYS 5 2HD LYS 5 2.385 16.193 -15.772 37 HD3 LYS 5 1HD LYS 5 3.636 15.834 -14.582 38 HE2 LYS 5 2HE LYS 5 4.252 13.798 -15.920 39 HE3 LYS 5 1HE LYS 5 3.074 14.286 -17.142 40 HZ1 LYS 5 3HZ LYS 5 5.315 14.974 -17.696 41 HZ2 LYS 5 1HZ LYS 5 5.420 15.872 -16.269 42 HZ3 LYS 5 2HZ LYS 5 4.312 16.317 -17.471 43 H LEU 6 H LEU 6 0.782 10.474 -11.699 44 HA LEU 6 HA LEU 6 2.874 8.668 -11.503 45 HB2 LEU 6 2HB LEU 6 3.992 10.304 -10.023 46 HB3 LEU 6 1HB LEU 6 2.566 10.400 -9.005 47 HG LEU 6 HG LEU 6 2.904 7.996 -8.345 48 HD11 LEU 6 1HD1 LEU 6 5.015 6.850 -8.854 49 HD12 LEU 6 2HD1 LEU 6 5.489 8.175 -9.921 50 HD13 LEU 6 3HD1 LEU 6 4.085 7.179 -10.317 51 HD21 LEU 6 3HD2 LEU 6 5.295 9.785 -7.808 52 HD22 LEU 6 1HD2 LEU 6 4.798 8.386 -6.845 53 HD23 LEU 6 2HD2 LEU 6 3.762 9.809 -6.932 54 H SER 7 H SER 7 1.357 7.111 -11.767 55 HA SER 7 HA SER 7 -0.927 6.731 -10.081 56 HB2 SER 7 2HB SER 7 0.610 4.654 -11.719 57 HB3 SER 7 1HB SER 7 -1.041 4.501 -11.111 58 HG SER 7 HG SER 7 -0.034 6.066 -13.196 59 H TYR 8 H TYR 8 -1.059 5.525 -8.164 60 HA TYR 8 HA TYR 8 1.174 5.445 -6.474 61 HB2 TYR 8 2HB TYR 8 -1.138 5.602 -5.636 62 HB3 TYR 8 1HB TYR 8 -1.468 3.959 -6.181 63 HD1 TYR 8 HD1 TYR 8 1.404 5.478 -4.262 64 HD2 TYR 8 HD2 TYR 8 -1.727 2.568 -4.269 65 HE1 TYR 8 HE1 TYR 8 2.156 4.662 -2.075 66 HE2 TYR 8 HE2 TYR 8 -0.974 1.764 -2.073 67 HH TYR 8 HH TYR 8 1.099 1.739 -0.750 68 H GLY 9 H GLY 9 -0.174 3.006 -8.605 69 HA2 GLY 9 2HA GLY 9 1.214 0.706 -7.740 70 HA3 GLY 9 1HA GLY 9 0.637 0.999 -9.376 71 H GLU 10 H GLU 10 2.154 3.306 -9.982 72 HA GLU 10 HA GLU 10 4.646 2.162 -10.812 73 HB2 GLU 10 2HB GLU 10 3.810 5.093 -10.857 74 HB3 GLU 10 1HB GLU 10 5.105 4.356 -11.804 75 HG2 GLU 10 2HG GLU 10 2.121 3.893 -12.087 76 HG3 GLU 10 1HG GLU 10 3.178 4.735 -13.218 77 H TYR 11 H TYR 11 3.623 4.366 -8.264 78 HA TYR 11 HA TYR 11 6.183 5.155 -7.343 79 HB2 TYR 11 2HB TYR 11 4.159 6.437 -6.769 80 HB3 TYR 11 1HB TYR 11 3.497 5.056 -5.892 81 HD1 TYR 11 HD1 TYR 11 6.732 6.996 -5.934 82 HD2 TYR 11 HD2 TYR 11 3.628 5.253 -3.562 83 HE1 TYR 11 HE1 TYR 11 7.885 7.719 -3.898 84 HE2 TYR 11 HE2 TYR 11 4.783 5.981 -1.530 85 HH TYR 11 HH TYR 11 6.937 6.600 -0.787 86 H LEU 12 H LEU 12 4.063 2.429 -6.563 87 HA LEU 12 HA LEU 12 5.412 1.376 -4.315 88 HB2 LEU 12 2HB LEU 12 3.664 0.059 -6.415 89 HB3 LEU 12 1HB LEU 12 4.276 -0.818 -5.013 90 HG LEU 12 HG LEU 12 2.482 1.643 -4.861 91 HD11 LEU 12 1HD1 LEU 12 0.694 0.107 -4.214 92 HD12 LEU 12 2HD1 LEU 12 1.749 -1.277 -4.511 93 HD13 LEU 12 3HD1 LEU 12 1.269 -0.225 -5.848 94 HD21 LEU 12 3HD2 LEU 12 3.894 1.425 -2.881 95 HD22 LEU 12 1HD2 LEU 12 3.422 -0.265 -2.687 96 HD23 LEU 12 2HD2 LEU 12 2.229 1.022 -2.477 97 H GLU 13 H GLU 13 6.025 1.074 -7.747 98 HA GLU 13 HA GLU 13 7.907 -1.062 -7.691 99 HB2 GLU 13 2HB GLU 13 7.651 1.261 -9.652 100 HB3 GLU 13 1HB GLU 13 8.608 -0.196 -9.927 101 HG2 GLU 13 2HG GLU 13 5.597 -0.104 -9.558 102 HG3 GLU 13 1HG GLU 13 6.427 -0.241 -11.104 103 H SER 14 H SER 14 8.334 2.473 -7.787 104 HA SER 14 HA SER 14 11.145 2.580 -7.675 105 HB2 SER 14 2HB SER 14 9.115 4.643 -6.702 106 HB3 SER 14 1HB SER 14 10.792 4.966 -7.170 107 HG SER 14 HG SER 14 8.851 5.180 -8.753 108 H TRP 15 H TRP 15 8.711 2.820 -5.117 109 HA TRP 15 HA TRP 15 10.349 3.075 -2.854 110 HB2 TRP 15 2HB TRP 15 7.966 3.556 -2.730 111 HB3 TRP 15 1HB TRP 15 7.554 1.918 -3.228 112 HD1 TRP 15 HD1 TRP 15 8.936 3.840 -0.152 113 HE1 TRP 15 HE1 TRP 15 8.493 2.417 1.947 114 HE3 TRP 15 HE3 TRP 15 7.181 -0.417 -2.392 115 HZ2 TRP 15 HZ2 TRP 15 7.564 -0.168 2.570 116 HZ3 TRP 15 HZ3 TRP 15 6.563 -2.331 -0.969 117 HH2 TRP 15 HH2 TRP 15 6.755 -2.200 1.469 118 H PHE 16 H PHE 16 9.085 0.194 -4.552 119 HA PHE 16 HA PHE 16 9.935 -1.768 -2.720 120 HB2 PHE 16 2HB PHE 16 8.270 -2.323 -4.410 121 HB3 PHE 16 1HB PHE 16 9.407 -1.994 -5.716 122 HD1 PHE 16 HD2 PHE 16 9.026 -4.180 -2.692 123 HD2 PHE 16 HD1 PHE 16 10.585 -3.818 -6.657 124 HE1 PHE 16 HE2 PHE 16 9.817 -6.489 -2.605 125 HE2 PHE 16 HE1 PHE 16 11.376 -6.143 -6.552 126 HZ PHE 16 HZ PHE 16 10.991 -7.477 -4.525 127 H ASN 17 H ASN 17 11.566 -0.485 -5.642 128 HA ASN 17 HA ASN 17 13.818 -2.167 -5.654 129 HB2 ASN 17 2HB ASN 17 13.536 0.708 -6.620 130 HB3 ASN 17 1HB ASN 17 14.991 -0.244 -6.873 131 HD21 ASN 17 1HD2 ASN 17 11.852 0.462 -8.036 132 HD22 ASN 17 2HD2 ASN 17 11.835 -0.674 -9.333 133 H THR 18 H THR 18 13.252 0.894 -3.956 134 HA THR 18 HA THR 18 15.743 1.129 -2.640 135 HB THR 18 HB THR 18 13.039 2.078 -1.591 136 HG1 THR 18 HG1 THR 18 13.102 2.977 -3.571 137 HG21 THR 18 3HG2 THR 18 14.878 2.337 0.028 138 HG22 THR 18 1HG2 THR 18 14.365 3.915 -0.580 139 HG23 THR 18 2HG2 THR 18 15.847 3.175 -1.185 140 H LYS 19 H LYS 19 12.769 -0.624 -1.857 141 HA LYS 19 HA LYS 19 13.367 -1.133 0.886 142 HB2 LYS 19 2HB LYS 19 11.045 -0.892 -0.064 143 HB3 LYS 19 1HB LYS 19 11.258 -2.427 -0.894 144 HG2 LYS 19 2HG LYS 19 9.913 -2.646 1.172 145 HG3 LYS 19 1HG LYS 19 11.390 -3.611 1.235 146 HD2 LYS 19 2HD LYS 19 10.983 -2.468 3.392 147 HD3 LYS 19 1HD LYS 19 12.483 -1.908 2.645 148 HE2 LYS 19 2HE LYS 19 11.307 0.122 1.842 149 HE3 LYS 19 1HE LYS 19 9.819 -0.438 2.604 150 HZ1 LYS 19 3HZ LYS 19 12.347 0.187 4.017 151 HZ2 LYS 19 1HZ LYS 19 10.900 -0.317 4.732 152 HZ3 LYS 19 2HZ LYS 19 10.977 1.175 3.947 153 H ARG 20 H ARG 20 13.966 -2.820 -2.122 154 HA ARG 20 HA ARG 20 14.543 -5.417 -1.281 155 HB2 ARG 20 2HB ARG 20 15.875 -3.766 -3.465 156 HB3 ARG 20 1HB ARG 20 16.081 -5.509 -3.291 157 HG2 ARG 20 2HG ARG 20 13.676 -5.840 -3.691 158 HG3 ARG 20 1HG ARG 20 13.450 -4.095 -3.808 159 HD2 ARG 20 2HD ARG 20 13.511 -5.045 -6.044 160 HD3 ARG 20 1HD ARG 20 14.947 -4.052 -5.793 161 HE ARG 20 HE ARG 20 16.140 -6.213 -5.319 162 HH11 ARG 20 1HH1 ARG 20 13.347 -6.212 -7.461 163 HH12 ARG 20 2HH1 ARG 20 13.884 -7.606 -8.337 164 HH21 ARG 20 1HH2 ARG 20 16.794 -8.050 -6.429 165 HH22 ARG 20 2HH2 ARG 20 15.845 -8.665 -7.747 166 H HIS 21 H HIS 21 16.421 -2.486 -0.864 167 HA HIS 21 HA HIS 21 18.872 -3.687 0.006 168 HB2 HIS 21 2HB HIS 21 17.787 -0.874 0.494 169 HB3 HIS 21 1HB HIS 21 19.429 -1.394 0.858 170 HD1 HIS 21 HD1 HIS 21 21.114 -1.258 -1.001 171 HD2 HIS 21 HD2 HIS 21 17.209 -0.847 -2.357 172 HE1 HIS 21 HE1 HIS 21 21.305 -0.575 -3.412 173 HE2 HIS 21 HE2 HIS 21 18.930 -0.316 -4.210 174 H SER 22 H SER 22 15.881 -2.686 1.620 175 HA SER 22 HA SER 22 17.010 -2.689 4.301 176 HB2 SER 22 2HB SER 22 14.099 -2.395 3.426 177 HB3 SER 22 1HB SER 22 14.780 -1.949 4.996 178 HG SER 22 HG SER 22 16.155 -0.473 3.747 179 H VAL 23 H VAL 23 14.291 -4.413 2.753 180 HA VAL 23 HA VAL 23 14.275 -6.490 4.788 181 HB VAL 23 HB VAL 23 12.297 -7.394 3.647 182 HG11 VAL 23 1HG1 VAL 23 10.737 -5.481 3.909 183 HG12 VAL 23 2HG1 VAL 23 12.105 -4.369 3.953 184 HG13 VAL 23 3HG1 VAL 23 11.896 -5.563 5.236 185 HG21 VAL 23 3HG2 VAL 23 12.727 -5.272 1.498 186 HG22 VAL 23 1HG2 VAL 23 11.324 -6.338 1.622 187 HG23 VAL 23 2HG2 VAL 23 12.921 -7.016 1.294 188 H GLY 24 H GLY 24 14.199 -8.799 4.131 189 HA2 GLY 24 2HA GLY 24 16.507 -9.589 2.691 190 HA3 GLY 24 1HA GLY 24 15.253 -10.659 3.296 191 H ILE 25 H ILE 25 16.535 -11.163 0.894 192 HA ILE 25 HA ILE 25 15.324 -10.227 -1.464 193 HB ILE 25 HB ILE 25 16.419 -13.044 -1.015 194 HG12 ILE 25 2HG1 ILE 25 18.138 -11.444 -0.271 195 HG13 ILE 25 1HG1 ILE 25 18.641 -12.193 -1.778 196 HG21 ILE 25 1HG2 ILE 25 16.944 -13.042 -3.436 197 HG22 ILE 25 2HG2 ILE 25 16.203 -11.448 -3.598 198 HG23 ILE 25 3HG2 ILE 25 15.214 -12.840 -3.144 199 HD11 ILE 25 3HD1 ILE 25 17.984 -10.183 -2.986 200 HD12 ILE 25 1HD1 ILE 25 19.183 -9.856 -1.739 201 HD13 ILE 25 2HD1 ILE 25 17.494 -9.431 -1.467 202 H GLN 26 H GLN 26 14.562 -13.009 0.575 203 HA GLN 26 HA GLN 26 12.355 -14.001 -0.921 204 HB2 GLN 26 2HB GLN 26 11.903 -15.416 1.057 205 HB3 GLN 26 1HB GLN 26 13.597 -15.450 0.580 206 HG2 GLN 26 2HG GLN 26 14.170 -13.918 2.427 207 HG3 GLN 26 1HG GLN 26 12.475 -13.833 2.898 208 HE21 GLN 26 1HE2 GLN 26 14.119 -16.801 1.883 209 HE22 GLN 26 2HE2 GLN 26 14.043 -17.573 3.425 210 H THR 27 H THR 27 12.598 -11.910 1.926 211 HA THR 27 HA THR 27 9.878 -11.566 2.509 212 HB THR 27 HB THR 27 12.079 -9.497 2.942 213 HG1 THR 27 HG1 THR 27 11.381 -11.829 4.437 214 HG21 THR 27 3HG2 THR 27 9.508 -10.034 4.508 215 HG22 THR 27 1HG2 THR 27 9.807 -8.641 3.464 216 HG23 THR 27 2HG2 THR 27 10.744 -8.853 4.941 217 H ALA 28 H ALA 28 12.031 -9.854 0.303 218 HA ALA 28 HA ALA 28 10.389 -7.654 -0.388 219 HB1 ALA 28 3HB ALA 28 12.827 -7.698 -0.781 220 HB2 ALA 28 1HB ALA 28 11.960 -7.355 -2.282 221 HB3 ALA 28 2HB ALA 28 12.627 -8.966 -1.989 222 H LYS 29 H LYS 29 10.903 -10.824 -1.884 223 HA LYS 29 HA LYS 29 9.318 -10.563 -4.183 224 HB2 LYS 29 2HB LYS 29 11.035 -12.378 -3.591 225 HB3 LYS 29 1HB LYS 29 9.786 -13.151 -2.629 226 HG2 LYS 29 2HG LYS 29 9.424 -12.589 -5.591 227 HG3 LYS 29 1HG LYS 29 10.239 -14.043 -5.025 228 HD2 LYS 29 2HD LYS 29 7.347 -13.263 -4.430 229 HD3 LYS 29 1HD LYS 29 7.868 -14.479 -5.594 230 HE2 LYS 29 2HE LYS 29 8.825 -15.827 -3.742 231 HE3 LYS 29 1HE LYS 29 8.282 -14.604 -2.587 232 HZ1 LYS 29 3HZ LYS 29 6.022 -15.045 -3.241 233 HZ2 LYS 29 1HZ LYS 29 6.779 -16.455 -2.712 234 HZ3 LYS 29 2HZ LYS 29 6.536 -16.199 -4.362 235 H VAL 30 H VAL 30 8.480 -11.445 -0.866 236 HA VAL 30 HA VAL 30 5.775 -12.288 -1.431 237 HB VAL 30 HB VAL 30 7.110 -11.661 1.248 238 HG11 VAL 30 1HG1 VAL 30 4.647 -11.537 1.443 239 HG12 VAL 30 2HG1 VAL 30 5.259 -12.963 2.277 240 HG13 VAL 30 3HG1 VAL 30 4.495 -13.129 0.696 241 HG21 VAL 30 3HG2 VAL 30 8.217 -13.516 0.050 242 HG22 VAL 30 1HG2 VAL 30 6.664 -14.333 -0.141 243 HG23 VAL 30 2HG2 VAL 30 7.357 -14.120 1.469 244 H LEU 31 H LEU 31 7.321 -9.323 -0.167 245 HA LEU 31 HA LEU 31 4.963 -7.887 0.491 246 HB2 LEU 31 2HB LEU 31 7.685 -6.784 -0.337 247 HB3 LEU 31 1HB LEU 31 6.389 -5.830 0.362 248 HG LEU 31 HG LEU 31 7.978 -8.013 1.758 249 HD11 LEU 31 1HD1 LEU 31 8.786 -6.207 3.206 250 HD12 LEU 31 2HD1 LEU 31 7.871 -5.025 2.264 251 HD13 LEU 31 3HD1 LEU 31 9.199 -5.916 1.517 252 HD21 LEU 31 3HD2 LEU 31 5.655 -6.400 2.869 253 HD22 LEU 31 1HD2 LEU 31 6.693 -7.490 3.793 254 HD23 LEU 31 2HD2 LEU 31 5.657 -8.130 2.522 255 H LYS 32 H LYS 32 6.880 -8.089 -2.496 256 HA LYS 32 HA LYS 32 5.298 -6.171 -3.953 257 HB2 LYS 32 2HB LYS 32 7.749 -6.805 -4.446 258 HB3 LYS 32 1HB LYS 32 7.121 -8.260 -5.210 259 HG2 LYS 32 2HG LYS 32 5.728 -6.722 -6.712 260 HG3 LYS 32 1HG LYS 32 6.640 -5.374 -6.021 261 HD2 LYS 32 2HD LYS 32 8.746 -6.724 -6.811 262 HD3 LYS 32 1HD LYS 32 7.603 -7.598 -7.840 263 HE2 LYS 32 2HE LYS 32 8.135 -4.597 -7.855 264 HE3 LYS 32 1HE LYS 32 8.641 -5.756 -9.084 265 HZ1 LYS 32 3HZ LYS 32 6.382 -6.120 -9.698 266 HZ2 LYS 32 1HZ LYS 32 6.643 -4.453 -9.677 267 HZ3 LYS 32 2HZ LYS 32 5.804 -5.188 -8.411 268 H GLY 33 H GLY 33 5.340 -9.655 -3.522 269 HA2 GLY 33 2HA GLY 33 3.452 -10.471 -5.434 270 HA3 GLY 33 1HA GLY 33 3.758 -11.280 -3.901 271 H TYR 34 H TYR 34 3.047 -8.987 -2.264 272 HA TYR 34 HA TYR 34 0.162 -9.166 -2.224 273 HB2 TYR 34 2HB TYR 34 2.174 -7.624 -0.550 274 HB3 TYR 34 1HB TYR 34 0.442 -7.504 -0.300 275 HD1 TYR 34 HD2 TYR 34 -0.430 -10.331 -0.615 276 HD2 TYR 34 HD1 TYR 34 2.982 -8.718 1.409 277 HE1 TYR 34 HE2 TYR 34 -0.402 -12.276 0.888 278 HE2 TYR 34 HE1 TYR 34 2.997 -10.657 2.909 279 HH TYR 34 HH TYR 34 1.259 -13.487 2.311 280 H LEU 35 H LEU 35 2.608 -6.790 -3.224 281 HA LEU 35 HA LEU 35 0.948 -4.524 -3.461 282 HB2 LEU 35 2HB LEU 35 3.511 -5.239 -4.921 283 HB3 LEU 35 1HB LEU 35 2.710 -3.686 -5.107 284 HG LEU 35 HG LEU 35 3.915 -4.777 -2.531 285 HD11 LEU 35 1HD1 LEU 35 5.629 -4.055 -4.110 286 HD12 LEU 35 2HD1 LEU 35 5.541 -2.944 -2.745 287 HD13 LEU 35 3HD1 LEU 35 4.835 -2.487 -4.298 288 HD21 LEU 35 3HD2 LEU 35 1.945 -3.486 -1.977 289 HD22 LEU 35 1HD2 LEU 35 2.463 -2.159 -3.024 290 HD23 LEU 35 2HD2 LEU 35 3.379 -2.549 -1.569 291 H ASN 36 H ASN 36 2.053 -6.738 -6.060 292 HA ASN 36 HA ASN 36 0.511 -5.623 -8.143 293 HB2 ASN 36 2HB ASN 36 1.661 -8.433 -7.881 294 HB3 ASN 36 1HB ASN 36 0.942 -7.801 -9.358 295 HD21 ASN 36 1HD2 ASN 36 3.756 -7.855 -7.362 296 HD22 ASN 36 2HD2 ASN 36 4.747 -6.884 -8.383 297 H SER 37 H SER 37 -0.268 -8.068 -5.745 298 HA SER 37 HA SER 37 -2.504 -9.183 -7.216 299 HB2 SER 37 2HB SER 37 -0.938 -10.512 -5.766 300 HB3 SER 37 1HB SER 37 -1.616 -9.709 -4.351 301 HG SER 37 HG SER 37 -2.691 -11.658 -6.006 302 H ARG 38 H ARG 38 -2.078 -7.175 -4.292 303 HA ARG 38 HA ARG 38 -4.993 -6.885 -3.999 304 HB2 ARG 38 2HB ARG 38 -2.706 -6.327 -2.086 305 HB3 ARG 38 1HB ARG 38 -4.365 -5.848 -1.750 306 HG2 ARG 38 2HG ARG 38 -3.461 -8.718 -2.197 307 HG3 ARG 38 1HG ARG 38 -3.704 -7.964 -0.620 308 HD2 ARG 38 2HD ARG 38 -5.688 -9.210 -1.035 309 HD3 ARG 38 1HD ARG 38 -6.128 -7.535 -1.348 310 HE ARG 38 HE ARG 38 -5.347 -9.218 -3.620 311 HH11 ARG 38 1HH1 ARG 38 -7.943 -7.506 -1.979 312 HH12 ARG 38 2HH1 ARG 38 -9.082 -7.795 -3.251 313 HH21 ARG 38 1HH2 ARG 38 -6.837 -9.558 -5.264 314 HH22 ARG 38 2HH2 ARG 38 -8.457 -8.952 -5.117 315 H ILE 39 H ILE 39 -2.078 -4.737 -3.968 316 HA ILE 39 HA ILE 39 -3.804 -2.444 -3.655 317 HB ILE 39 HB ILE 39 -0.765 -2.436 -3.957 318 HG12 ILE 39 2HG1 ILE 39 -0.899 -1.870 -1.394 319 HG13 ILE 39 1HG1 ILE 39 -2.518 -2.551 -1.457 320 HG21 ILE 39 1HG2 ILE 39 -0.885 -0.143 -3.008 321 HG22 ILE 39 2HG2 ILE 39 -2.647 -0.224 -3.035 322 HG23 ILE 39 3HG2 ILE 39 -1.740 -0.265 -4.548 323 HD11 ILE 39 3HD1 ILE 39 -0.997 -4.157 -0.607 324 HD12 ILE 39 1HD1 ILE 39 0.088 -3.948 -1.976 325 HD13 ILE 39 2HD1 ILE 39 -1.495 -4.689 -2.211 326 H ILE 40 H ILE 40 -1.865 -3.784 -6.356 327 HA ILE 40 HA ILE 40 -2.060 -1.520 -8.035 328 HB ILE 40 HB ILE 40 -1.270 -4.366 -8.547 329 HG12 ILE 40 2HG1 ILE 40 0.734 -3.303 -9.591 330 HG13 ILE 40 1HG1 ILE 40 -0.001 -1.720 -9.410 331 HG21 ILE 40 1HG2 ILE 40 -2.032 -2.550 -10.859 332 HG22 ILE 40 2HG2 ILE 40 -2.805 -4.074 -10.428 333 HG23 ILE 40 3HG2 ILE 40 -1.141 -4.069 -11.011 334 HD11 ILE 40 3HD1 ILE 40 1.725 -2.077 -7.777 335 HD12 ILE 40 1HD1 ILE 40 0.912 -3.530 -7.188 336 HD13 ILE 40 2HD1 ILE 40 0.156 -1.950 -6.973 337 HA PRO 41 HA PRO 41 -6.270 -3.512 -9.802 338 HB2 PRO 41 2HB PRO 41 -7.078 -4.918 -7.249 339 HB3 PRO 41 1HB PRO 41 -7.452 -5.333 -8.931 340 HG2 PRO 41 2HG PRO 41 -5.595 -6.710 -7.624 341 HG3 PRO 41 1HG PRO 41 -5.318 -6.241 -9.317 342 HD2 PRO 41 2HD PRO 41 -4.212 -4.990 -6.800 343 HD3 PRO 41 1HD PRO 41 -3.391 -5.332 -8.338 344 H SER 42 H SER 42 -5.755 -2.587 -6.397 345 HA SER 42 HA SER 42 -8.352 -1.289 -6.144 346 HB2 SER 42 2HB SER 42 -6.042 -1.489 -4.164 347 HB3 SER 42 1HB SER 42 -7.669 -0.911 -3.793 348 HG SER 42 HG SER 42 -7.759 -3.332 -4.997 349 H LEU 43 H LEU 43 -5.063 -0.115 -5.384 350 HA LEU 43 HA LEU 43 -5.859 2.667 -5.952 351 HB2 LEU 43 2HB LEU 43 -3.589 1.616 -4.218 352 HB3 LEU 43 1HB LEU 43 -4.116 3.292 -4.337 353 HG LEU 43 HG LEU 43 -5.760 1.001 -3.164 354 HD11 LEU 43 1HD1 LEU 43 -4.331 3.261 -1.726 355 HD12 LEU 43 2HD1 LEU 43 -3.875 1.556 -1.717 356 HD13 LEU 43 3HD1 LEU 43 -5.395 2.058 -0.983 357 HD21 LEU 43 3HD2 LEU 43 -6.382 3.973 -3.297 358 HD22 LEU 43 1HD2 LEU 43 -7.334 2.757 -2.437 359 HD23 LEU 43 2HD2 LEU 43 -7.195 2.687 -4.190 360 H GLY 44 H GLY 44 -4.193 0.247 -7.471 361 HA2 GLY 44 2HA GLY 44 -1.611 1.278 -7.967 362 HA3 GLY 44 1HA GLY 44 -2.423 0.042 -8.908 363 H ASN 45 H ASN 45 -4.429 1.198 -10.196 364 HA ASN 45 HA ASN 45 -3.248 2.889 -12.180 365 HB2 ASN 45 2HB ASN 45 -5.082 1.306 -12.735 366 HB3 ASN 45 1HB ASN 45 -6.182 2.202 -11.696 367 HD21 ASN 45 1HD2 ASN 45 -4.414 2.261 -14.726 368 HD22 ASN 45 2HD2 ASN 45 -5.318 3.544 -15.451 369 H ILE 46 H ILE 46 -5.194 3.442 -9.301 370 HA ILE 46 HA ILE 46 -5.961 6.136 -9.740 371 HB ILE 46 HB ILE 46 -5.529 4.634 -7.110 372 HG12 ILE 46 2HG1 ILE 46 -8.100 5.167 -8.681 373 HG13 ILE 46 1HG1 ILE 46 -7.276 3.614 -8.561 374 HG21 ILE 46 1HG2 ILE 46 -6.909 6.375 -6.015 375 HG22 ILE 46 2HG2 ILE 46 -6.989 7.273 -7.530 376 HG23 ILE 46 3HG2 ILE 46 -5.442 7.069 -6.712 377 HD11 ILE 46 3HD1 ILE 46 -9.219 3.679 -7.122 378 HD12 ILE 46 1HD1 ILE 46 -8.607 5.109 -6.296 379 HD13 ILE 46 2HD1 ILE 46 -7.759 3.568 -6.141 380 H LYS 47 H LYS 47 -4.938 8.030 -9.300 381 HA LYS 47 HA LYS 47 -2.068 8.002 -9.250 382 HB2 LYS 47 2HB LYS 47 -4.018 10.351 -9.175 383 HB3 LYS 47 1HB LYS 47 -2.289 10.448 -9.518 384 HG2 LYS 47 2HG LYS 47 -4.363 9.012 -11.226 385 HG3 LYS 47 1HG LYS 47 -3.616 10.571 -11.593 386 HD2 LYS 47 2HD LYS 47 -1.417 9.510 -11.839 387 HD3 LYS 47 1HD LYS 47 -2.065 7.955 -11.323 388 HE2 LYS 47 2HE LYS 47 -2.933 9.407 -13.850 389 HE3 LYS 47 1HE LYS 47 -1.716 8.128 -13.801 390 HZ1 LYS 47 3HZ LYS 47 -3.889 7.273 -14.432 391 HZ2 LYS 47 1HZ LYS 47 -4.557 7.841 -12.986 392 HZ3 LYS 47 2HZ LYS 47 -3.400 6.612 -12.954 393 H LEU 48 H LEU 48 -0.732 8.931 -7.667 394 HA LEU 48 HA LEU 48 -1.148 7.984 -5.094 395 HB2 LEU 48 2HB LEU 48 1.070 8.306 -6.045 396 HB3 LEU 48 1HB LEU 48 0.837 10.043 -6.124 397 HG LEU 48 HG LEU 48 0.886 10.188 -3.640 398 HD11 LEU 48 1HD1 LEU 48 1.397 7.201 -3.691 399 HD12 LEU 48 2HD1 LEU 48 -0.056 8.002 -3.087 400 HD13 LEU 48 3HD1 LEU 48 1.483 8.244 -2.268 401 HD21 LEU 48 3HD2 LEU 48 3.274 8.680 -4.756 402 HD22 LEU 48 1HD2 LEU 48 3.259 9.673 -3.292 403 HD23 LEU 48 2HD2 LEU 48 3.003 10.423 -4.868 404 H ALA 49 H ALA 49 -1.463 11.337 -6.265 405 HA ALA 49 HA ALA 49 -1.871 12.576 -3.731 406 HB1 ALA 49 3HB ALA 49 -1.058 13.799 -5.704 407 HB2 ALA 49 1HB ALA 49 -2.502 14.563 -5.031 408 HB3 ALA 49 2HB ALA 49 -2.619 13.580 -6.496 409 H LYS 50 H LYS 50 -3.988 10.765 -5.763 410 HA LYS 50 HA LYS 50 -6.475 11.959 -4.756 411 HB2 LYS 50 2HB LYS 50 -6.007 9.688 -6.741 412 HB3 LYS 50 1HB LYS 50 -7.591 10.329 -6.301 413 HG2 LYS 50 2HG LYS 50 -5.368 11.796 -7.757 414 HG3 LYS 50 1HG LYS 50 -6.930 11.289 -8.411 415 HD2 LYS 50 2HD LYS 50 -8.069 12.847 -6.802 416 HD3 LYS 50 1HD LYS 50 -6.485 13.395 -6.247 417 HE2 LYS 50 2HE LYS 50 -7.357 15.006 -7.816 418 HE3 LYS 50 1HE LYS 50 -6.001 14.171 -8.577 419 HZ1 LYS 50 3HZ LYS 50 -8.870 13.553 -9.031 420 HZ2 LYS 50 1HZ LYS 50 -7.558 12.803 -9.789 421 HZ3 LYS 50 2HZ LYS 50 -7.879 14.437 -10.078 422 H LEU 51 H LEU 51 -4.371 9.656 -3.567 423 HA LEU 51 HA LEU 51 -6.201 7.746 -2.483 424 HB2 LEU 51 2HB LEU 51 -3.313 8.420 -1.983 425 HB3 LEU 51 1HB LEU 51 -4.154 7.512 -0.740 426 HG LEU 51 HG LEU 51 -4.682 5.726 -2.388 427 HD11 LEU 51 1HD1 LEU 51 -3.611 5.668 -4.596 428 HD12 LEU 51 2HD1 LEU 51 -2.976 7.296 -4.346 429 HD13 LEU 51 3HD1 LEU 51 -4.717 7.036 -4.464 430 HD21 LEU 51 3HD2 LEU 51 -2.430 4.791 -2.546 431 HD22 LEU 51 1HD2 LEU 51 -2.672 5.565 -0.979 432 HD23 LEU 51 2HD2 LEU 51 -1.726 6.380 -2.229 433 H THR 52 H THR 52 -7.900 8.965 -1.662 434 HA THR 52 HA THR 52 -7.506 10.494 0.816 435 HB THR 52 HB THR 52 -9.098 11.340 -0.945 436 HG1 THR 52 HG1 THR 52 -10.153 12.216 0.652 437 HG21 THR 52 3HG2 THR 52 -11.315 10.291 -1.201 438 HG22 THR 52 1HG2 THR 52 -10.804 8.953 -0.169 439 HG23 THR 52 2HG2 THR 52 -10.040 9.194 -1.742 440 H SER 53 H SER 53 -9.278 9.875 2.567 441 HA SER 53 HA SER 53 -8.360 7.408 3.623 442 HB2 SER 53 2HB SER 53 -8.986 9.434 4.985 443 HB3 SER 53 1HB SER 53 -10.684 9.083 4.655 444 HG SER 53 HG SER 53 -9.831 6.852 5.563 445 H LEU 54 H LEU 54 -11.264 8.261 1.882 446 HA LEU 54 HA LEU 54 -12.907 6.041 2.450 447 HB2 LEU 54 2HB LEU 54 -13.698 8.122 1.315 448 HB3 LEU 54 1HB LEU 54 -12.784 7.673 -0.114 449 HG LEU 54 HG LEU 54 -14.219 5.622 -0.363 450 HD11 LEU 54 1HD1 LEU 54 -16.317 5.423 0.898 451 HD12 LEU 54 2HD1 LEU 54 -15.851 6.795 1.910 452 HD13 LEU 54 3HD1 LEU 54 -14.909 5.301 1.952 453 HD21 LEU 54 3HD2 LEU 54 -16.219 6.765 -1.203 454 HD22 LEU 54 1HD2 LEU 54 -14.745 7.620 -1.655 455 HD23 LEU 54 2HD2 LEU 54 -15.753 8.235 -0.342 456 H HIS 55 H HIS 55 -10.220 6.471 0.233 457 HA HIS 55 HA HIS 55 -10.515 4.127 -1.349 458 HB2 HIS 55 2HB HIS 55 -8.089 5.859 -0.711 459 HB3 HIS 55 1HB HIS 55 -7.996 4.469 -1.780 460 HD1 HIS 55 HD1 HIS 55 -7.319 6.058 -3.716 461 HD2 HIS 55 HD2 HIS 55 -11.112 6.739 -2.177 462 HE1 HIS 55 HE1 HIS 55 -8.481 7.512 -5.395 463 HE2 HIS 55 HE2 HIS 55 -10.812 7.799 -4.507 464 H MET 56 H MET 56 -8.858 4.779 1.716 465 HA MET 56 HA MET 56 -7.652 2.164 1.943 466 HB2 MET 56 2HB MET 56 -8.060 4.328 4.051 467 HB3 MET 56 1HB MET 56 -7.072 2.878 4.261 468 HG2 MET 56 2HG MET 56 -6.605 5.136 2.319 469 HG3 MET 56 1HG MET 56 -5.633 4.722 3.739 470 HE1 MET 56 3HE MET 56 -3.468 3.916 0.473 471 HE2 MET 56 1HE MET 56 -3.593 4.962 1.885 472 HE3 MET 56 2HE MET 56 -4.745 5.128 0.560 473 H GLN 57 H GLN 57 -10.582 3.726 3.140 474 HA GLN 57 HA GLN 57 -11.495 1.693 4.877 475 HB2 GLN 57 2HB GLN 57 -12.475 3.951 4.921 476 HB3 GLN 57 1HB GLN 57 -13.071 3.762 3.281 477 HG2 GLN 57 2HG GLN 57 -14.872 3.512 4.934 478 HG3 GLN 57 1HG GLN 57 -14.642 2.025 4.012 479 HE21 GLN 57 1HE2 GLN 57 -13.857 0.183 5.080 480 HE22 GLN 57 2HE2 GLN 57 -13.741 0.074 6.799 481 H ASN 58 H ASN 58 -12.121 2.368 1.455 482 HA ASN 58 HA ASN 58 -13.800 0.095 0.999 483 HB2 ASN 58 2HB ASN 58 -12.442 2.014 -0.941 484 HB3 ASN 58 1HB ASN 58 -13.533 0.725 -1.453 485 HD21 ASN 58 1HD2 ASN 58 -13.929 3.504 -1.887 486 HD22 ASN 58 2HD2 ASN 58 -15.361 3.974 -1.051 487 H TYR 59 H TYR 59 -10.352 0.655 0.904 488 HA TYR 59 HA TYR 59 -9.589 -1.692 -0.519 489 HB2 TYR 59 2HB TYR 59 -8.011 0.193 -0.110 490 HB3 TYR 59 1HB TYR 59 -8.047 -0.140 1.618 491 HD1 TYR 59 HD2 TYR 59 -7.014 -1.554 -1.682 492 HD2 TYR 59 HD1 TYR 59 -6.617 -1.839 2.563 493 HE1 TYR 59 HE2 TYR 59 -5.167 -3.155 -1.962 494 HE2 TYR 59 HE1 TYR 59 -4.787 -3.445 2.284 495 HH TYR 59 HH TYR 59 -3.286 -4.031 -0.718 496 H VAL 60 H VAL 60 -10.026 -0.969 2.973 497 HA VAL 60 HA VAL 60 -9.479 -3.594 3.954 498 HB VAL 60 HB VAL 60 -11.011 -1.272 5.216 499 HG11 VAL 60 1HG1 VAL 60 -10.738 -2.428 7.406 500 HG12 VAL 60 2HG1 VAL 60 -10.049 -3.831 6.582 501 HG13 VAL 60 3HG1 VAL 60 -11.735 -3.385 6.305 502 HG21 VAL 60 3HG2 VAL 60 -8.932 -0.917 6.514 503 HG22 VAL 60 1HG2 VAL 60 -8.629 -0.806 4.777 504 HG23 VAL 60 2HG2 VAL 60 -8.166 -2.262 5.664 505 H ASN 61 H ASN 61 -12.443 -1.980 2.865 506 HA ASN 61 HA ASN 61 -14.332 -3.958 3.586 507 HB2 ASN 61 2HB ASN 61 -14.388 -1.976 1.263 508 HB3 ASN 61 1HB ASN 61 -15.762 -2.969 1.745 509 HD21 ASN 61 1HD2 ASN 61 -15.578 -0.102 1.620 510 HD22 ASN 61 2HD2 ASN 61 -15.903 0.490 3.211 511 H SER 62 H SER 62 -12.246 -3.536 0.742 512 HA SER 62 HA SER 62 -13.178 -5.706 -0.822 513 HB2 SER 62 2HB SER 62 -10.432 -4.369 -0.785 514 HB3 SER 62 1HB SER 62 -11.007 -5.464 -2.048 515 HG SER 62 HG SER 62 -12.773 -3.464 -1.532 516 H LEU 63 H LEU 63 -10.535 -5.444 1.595 517 HA LEU 63 HA LEU 63 -9.430 -8.034 1.343 518 HB2 LEU 63 2HB LEU 63 -9.567 -6.432 3.933 519 HB3 LEU 63 1HB LEU 63 -8.384 -7.670 3.512 520 HG LEU 63 HG LEU 63 -8.634 -4.894 2.311 521 HD11 LEU 63 1HD1 LEU 63 -7.652 -4.901 4.522 522 HD12 LEU 63 2HD1 LEU 63 -6.457 -4.471 3.305 523 HD13 LEU 63 3HD1 LEU 63 -6.446 -6.087 4.017 524 HD21 LEU 63 3HD2 LEU 63 -7.999 -6.426 0.528 525 HD22 LEU 63 1HD2 LEU 63 -6.686 -7.077 1.512 526 HD23 LEU 63 2HD2 LEU 63 -6.639 -5.401 0.966 527 H ARG 64 H ARG 64 -12.008 -6.783 3.359 528 HA ARG 64 HA ARG 64 -12.523 -9.143 4.866 529 HB2 ARG 64 2HB ARG 64 -13.033 -6.848 5.652 530 HB3 ARG 64 1HB ARG 64 -14.237 -6.676 4.383 531 HG2 ARG 64 2HG ARG 64 -15.678 -8.304 5.416 532 HG3 ARG 64 1HG ARG 64 -14.416 -8.779 6.561 533 HD2 ARG 64 2HD ARG 64 -15.747 -6.040 6.456 534 HD3 ARG 64 1HD ARG 64 -16.142 -7.321 7.603 535 HE ARG 64 HE ARG 64 -13.793 -7.129 8.420 536 HH11 ARG 64 1HH1 ARG 64 -15.190 -4.348 6.825 537 HH12 ARG 64 2HH1 ARG 64 -14.227 -3.210 7.707 538 HH21 ARG 64 1HH2 ARG 64 -12.532 -5.627 9.556 539 HH22 ARG 64 2HH2 ARG 64 -12.727 -3.931 9.253 540 H ASP 65 H ASP 65 -13.815 -7.763 1.887 541 HA ASP 65 HA ASP 65 -15.941 -9.637 1.486 542 HB2 ASP 65 2HB ASP 65 -15.953 -7.426 0.418 543 HB3 ASP 65 1HB ASP 65 -14.474 -7.804 -0.455 544 H GLU 66 H GLU 66 -12.532 -9.564 0.637 545 HA GLU 66 HA GLU 66 -12.534 -11.919 -1.024 546 HB2 GLU 66 2HB GLU 66 -10.242 -10.533 0.432 547 HB3 GLU 66 1HB GLU 66 -10.047 -11.816 -0.751 548 HG2 GLU 66 2HG GLU 66 -11.112 -9.033 -1.279 549 HG3 GLU 66 1HG GLU 66 -9.532 -9.656 -1.738 550 H GLY 67 H GLY 67 -12.467 -11.254 2.367 551 HA2 GLY 67 2HA GLY 67 -12.553 -12.593 4.217 552 HA3 GLY 67 1HA GLY 67 -12.672 -13.988 3.152 553 H LEU 68 H LEU 68 -10.080 -11.593 3.202 554 HA LEU 68 HA LEU 68 -7.997 -13.531 3.183 555 HB2 LEU 68 2HB LEU 68 -7.795 -10.558 3.830 556 HB3 LEU 68 1HB LEU 68 -6.459 -11.620 3.384 557 HG LEU 68 HG LEU 68 -8.748 -10.720 1.592 558 HD11 LEU 68 1HD1 LEU 68 -5.772 -10.172 1.445 559 HD12 LEU 68 2HD1 LEU 68 -7.024 -9.028 1.934 560 HD13 LEU 68 3HD1 LEU 68 -6.987 -9.636 0.282 561 HD21 LEU 68 3HD2 LEU 68 -7.658 -12.010 -0.212 562 HD22 LEU 68 1HD2 LEU 68 -8.234 -13.056 1.082 563 HD23 LEU 68 2HD2 LEU 68 -6.516 -12.681 0.954 564 H LYS 69 H LYS 69 -6.366 -13.896 4.752 565 HA LYS 69 HA LYS 69 -7.311 -14.114 7.458 566 HB2 LYS 69 2HB LYS 69 -5.167 -15.193 7.932 567 HB3 LYS 69 1HB LYS 69 -5.849 -15.843 6.449 568 HG2 LYS 69 2HG LYS 69 -4.308 -14.406 5.139 569 HG3 LYS 69 1HG LYS 69 -3.594 -13.821 6.644 570 HD2 LYS 69 2HD LYS 69 -3.573 -16.696 5.639 571 HD3 LYS 69 1HD LYS 69 -2.209 -15.579 5.626 572 HE2 LYS 69 2HE LYS 69 -2.211 -15.533 8.097 573 HE3 LYS 69 1HE LYS 69 -3.600 -16.625 8.125 574 HZ1 LYS 69 3HZ LYS 69 -2.240 -18.295 7.023 575 HZ2 LYS 69 1HZ LYS 69 -1.559 -17.817 8.490 576 HZ3 LYS 69 2HZ LYS 69 -0.912 -17.251 7.038 577 H ARG 70 H ARG 70 -6.476 -13.075 9.305 578 HA ARG 70 HA ARG 70 -6.077 -10.302 9.062 579 HB2 ARG 70 2HB ARG 70 -5.889 -10.238 11.464 580 HB3 ARG 70 1HB ARG 70 -7.069 -11.474 11.046 581 HG2 ARG 70 2HG ARG 70 -5.147 -13.168 11.314 582 HG3 ARG 70 1HG ARG 70 -4.251 -11.860 12.082 583 HD2 ARG 70 2HD ARG 70 -5.302 -13.197 13.804 584 HD3 ARG 70 1HD ARG 70 -6.133 -11.639 13.737 585 HE ARG 70 HE ARG 70 -8.014 -12.665 12.823 586 HH11 ARG 70 1HH1 ARG 70 -5.496 -15.062 13.378 587 HH12 ARG 70 2HH1 ARG 70 -6.529 -16.415 13.050 588 HH21 ARG 70 1HH2 ARG 70 -9.368 -14.468 12.370 589 HH22 ARG 70 2HH2 ARG 70 -8.721 -16.074 12.458 590 H GLY 71 H GLY 71 -3.747 -12.930 9.186 591 HA2 GLY 71 2HA GLY 71 -1.356 -11.554 9.513 592 HA3 GLY 71 1HA GLY 71 -1.569 -12.969 8.483 593 H THR 72 H THR 72 -2.972 -12.267 6.388 594 HA THR 72 HA THR 72 -1.303 -10.776 4.703 595 HB THR 72 HB THR 72 -4.273 -11.380 4.290 596 HG1 THR 72 HG1 THR 72 -1.904 -12.876 3.891 597 HG21 THR 72 3HG2 THR 72 -3.452 -9.680 2.678 598 HG22 THR 72 1HG2 THR 72 -3.766 -11.217 1.867 599 HG23 THR 72 2HG2 THR 72 -2.109 -10.735 2.236 600 H ILE 73 H ILE 73 -4.349 -9.869 6.284 601 HA ILE 73 HA ILE 73 -4.673 -7.312 5.159 602 HB ILE 73 HB ILE 73 -5.709 -8.351 7.835 603 HG12 ILE 73 2HG1 ILE 73 -7.072 -8.271 5.097 604 HG13 ILE 73 1HG1 ILE 73 -6.441 -9.719 5.877 605 HG21 ILE 73 1HG2 ILE 73 -6.655 -5.924 6.248 606 HG22 ILE 73 2HG2 ILE 73 -5.811 -5.891 7.796 607 HG23 ILE 73 3HG2 ILE 73 -7.435 -6.566 7.695 608 HD11 ILE 73 3HD1 ILE 73 -8.107 -9.458 7.677 609 HD12 ILE 73 1HD1 ILE 73 -8.853 -9.599 6.083 610 HD13 ILE 73 2HD1 ILE 73 -8.741 -8.022 6.863 611 H GLU 74 H GLU 74 -3.016 -8.388 8.101 612 HA GLU 74 HA GLU 74 -2.401 -5.852 9.178 613 HB2 GLU 74 2HB GLU 74 -2.210 -8.000 10.441 614 HB3 GLU 74 1HB GLU 74 -0.806 -8.432 9.471 615 HG2 GLU 74 2HG GLU 74 0.412 -6.456 10.384 616 HG3 GLU 74 1HG GLU 74 -1.005 -6.052 11.352 617 H LYS 75 H LYS 75 -0.509 -8.037 7.055 618 HA LYS 75 HA LYS 75 1.905 -6.559 7.050 619 HB2 LYS 75 2HB LYS 75 0.863 -8.500 4.942 620 HB3 LYS 75 1HB LYS 75 2.532 -7.947 5.079 621 HG2 LYS 75 2HG LYS 75 2.757 -9.070 7.246 622 HG3 LYS 75 1HG LYS 75 1.058 -9.558 7.185 623 HD2 LYS 75 2HD LYS 75 1.600 -10.824 5.048 624 HD3 LYS 75 1HD LYS 75 3.305 -10.468 5.347 625 HE2 LYS 75 2HE LYS 75 1.464 -12.056 7.182 626 HE3 LYS 75 1HE LYS 75 2.714 -12.727 6.134 627 HZ1 LYS 75 3HZ LYS 75 3.477 -12.553 8.404 628 HZ2 LYS 75 1HZ LYS 75 3.174 -10.890 8.414 629 HZ3 LYS 75 2HZ LYS 75 4.375 -11.522 7.408 630 H ILE 76 H ILE 76 -0.730 -6.720 4.657 631 HA ILE 76 HA ILE 76 0.565 -5.151 2.683 632 HB ILE 76 HB ILE 76 -1.591 -5.123 1.485 633 HG12 ILE 76 2HG1 ILE 76 -2.729 -6.246 4.084 634 HG13 ILE 76 1HG1 ILE 76 -3.243 -4.791 3.233 635 HG21 ILE 76 1HG2 ILE 76 -0.134 -7.123 1.373 636 HG22 ILE 76 2HG2 ILE 76 -1.836 -7.529 1.161 637 HG23 ILE 76 3HG2 ILE 76 -1.035 -7.852 2.705 638 HD11 ILE 76 3HD1 ILE 76 -4.860 -6.570 2.986 639 HD12 ILE 76 1HD1 ILE 76 -3.638 -7.644 2.320 640 HD13 ILE 76 2HD1 ILE 76 -4.138 -6.210 1.418 641 H ILE 77 H ILE 77 -1.682 -4.281 5.290 642 HA ILE 77 HA ILE 77 -2.043 -1.558 4.535 643 HB ILE 77 HB ILE 77 -2.311 -2.934 7.237 644 HG12 ILE 77 2HG1 ILE 77 -3.958 -3.760 5.635 645 HG13 ILE 77 1HG1 ILE 77 -4.785 -2.729 6.793 646 HG21 ILE 77 1HG2 ILE 77 -1.892 -0.568 7.671 647 HG22 ILE 77 2HG2 ILE 77 -3.581 -0.945 8.015 648 HG23 ILE 77 3HG2 ILE 77 -3.152 -0.099 6.526 649 HD11 ILE 77 3HD1 ILE 77 -5.631 -2.353 4.576 650 HD12 ILE 77 1HD1 ILE 77 -4.013 -1.998 3.972 651 HD13 ILE 77 2HD1 ILE 77 -4.781 -0.911 5.130 652 H LYS 78 H LYS 78 0.347 -3.199 6.630 653 HA LYS 78 HA LYS 78 1.706 -0.855 7.539 654 HB2 LYS 78 2HB LYS 78 2.915 -3.629 7.146 655 HB3 LYS 78 1HB LYS 78 3.585 -2.335 8.136 656 HG2 LYS 78 2HG LYS 78 1.006 -3.836 8.664 657 HG3 LYS 78 1HG LYS 78 2.536 -4.079 9.502 658 HD2 LYS 78 2HD LYS 78 2.376 -1.759 10.398 659 HD3 LYS 78 1HD LYS 78 0.824 -1.556 9.579 660 HE2 LYS 78 2HE LYS 78 -0.130 -3.398 10.937 661 HE3 LYS 78 1HE LYS 78 1.423 -3.614 11.747 662 HZ1 LYS 78 3HZ LYS 78 -0.189 -1.137 11.817 663 HZ2 LYS 78 1HZ LYS 78 1.237 -1.433 12.671 664 HZ3 LYS 78 2HZ LYS 78 -0.167 -2.307 13.032 665 H VAL 79 H VAL 79 1.980 -2.831 4.648 666 HA VAL 79 HA VAL 79 4.400 -1.771 3.590 667 HB VAL 79 HB VAL 79 2.114 -3.272 2.237 668 HG11 VAL 79 1HG1 VAL 79 4.880 -2.666 1.139 669 HG12 VAL 79 2HG1 VAL 79 3.359 -2.003 0.541 670 HG13 VAL 79 3HG1 VAL 79 3.689 -3.728 0.379 671 HG21 VAL 79 3HG2 VAL 79 3.600 -5.240 2.371 672 HG22 VAL 79 1HG2 VAL 79 3.280 -4.584 3.978 673 HG23 VAL 79 2HG2 VAL 79 4.828 -4.272 3.192 674 H ILE 80 H ILE 80 0.943 -1.055 2.998 675 HA ILE 80 HA ILE 80 1.271 1.001 1.072 676 HB ILE 80 HB ILE 80 -0.992 0.548 3.075 677 HG12 ILE 80 2HG1 ILE 80 -0.836 -0.102 0.095 678 HG13 ILE 80 1HG1 ILE 80 -0.695 -1.276 1.399 679 HG21 ILE 80 1HG2 ILE 80 -2.398 2.053 1.695 680 HG22 ILE 80 2HG2 ILE 80 -0.998 2.442 0.688 681 HG23 ILE 80 3HG2 ILE 80 -1.021 2.913 2.388 682 HD11 ILE 80 3HD1 ILE 80 -3.013 -0.805 2.067 683 HD12 ILE 80 1HD1 ILE 80 -2.900 -1.343 0.394 684 HD13 ILE 80 2HD1 ILE 80 -3.150 0.364 0.751 685 H ARG 81 H ARG 81 0.903 1.109 4.600 686 HA ARG 81 HA ARG 81 1.130 3.824 5.121 687 HB2 ARG 81 2HB ARG 81 2.014 1.384 6.681 688 HB3 ARG 81 1HB ARG 81 2.315 2.998 7.312 689 HG2 ARG 81 2HG ARG 81 -0.118 3.467 7.237 690 HG3 ARG 81 1HG ARG 81 -0.405 1.817 6.672 691 HD2 ARG 81 2HD ARG 81 -0.743 2.240 9.172 692 HD3 ARG 81 1HD ARG 81 0.291 0.879 8.747 693 HE ARG 81 HE ARG 81 1.952 1.869 9.930 694 HH11 ARG 81 1HH1 ARG 81 -0.100 4.521 8.868 695 HH12 ARG 81 2HH1 ARG 81 0.839 5.725 9.689 696 HH21 ARG 81 1HH2 ARG 81 3.172 3.462 10.971 697 HH22 ARG 81 2HH2 ARG 81 2.685 5.122 10.884 698 H ASN 82 H ASN 82 3.777 1.441 4.779 699 HA ASN 82 HA ASN 82 5.875 3.255 5.454 700 HB2 ASN 82 2HB ASN 82 6.004 0.785 5.756 701 HB3 ASN 82 1HB ASN 82 6.017 0.576 4.014 702 HD21 ASN 82 1HD2 ASN 82 7.837 3.210 5.489 703 HD22 ASN 82 2HD2 ASN 82 9.386 2.505 5.217 704 H SER 83 H SER 83 4.336 2.343 2.435 705 HA SER 83 HA SER 83 6.206 3.568 0.648 706 HB2 SER 83 2HB SER 83 4.578 1.804 -0.035 707 HB3 SER 83 1HB SER 83 3.253 2.934 0.242 708 HG SER 83 HG SER 83 3.613 3.309 -1.808 709 H LEU 84 H LEU 84 3.080 4.579 2.027 710 HA LEU 84 HA LEU 84 2.976 7.147 0.813 711 HB2 LEU 84 2HB LEU 84 1.492 5.983 3.184 712 HB3 LEU 84 1HB LEU 84 1.147 7.564 2.505 713 HG LEU 84 HG LEU 84 0.782 4.899 1.093 714 HD11 LEU 84 1HD1 LEU 84 -0.920 5.323 2.794 715 HD12 LEU 84 2HD1 LEU 84 -1.611 5.444 1.179 716 HD13 LEU 84 3HD1 LEU 84 -1.259 6.912 2.094 717 HD21 LEU 84 3HD2 LEU 84 0.224 7.697 0.052 718 HD22 LEU 84 1HD2 LEU 84 -0.193 6.186 -0.758 719 HD23 LEU 84 2HD2 LEU 84 1.498 6.612 -0.512 720 H GLU 85 H GLU 85 4.339 6.011 3.836 721 HA GLU 85 HA GLU 85 4.757 8.482 5.165 722 HB2 GLU 85 2HB GLU 85 6.115 5.770 5.365 723 HB3 GLU 85 1HB GLU 85 6.678 7.136 6.327 724 HG2 GLU 85 2HG GLU 85 3.824 6.091 6.411 725 HG3 GLU 85 1HG GLU 85 5.103 5.530 7.494 726 H HIS 86 H HIS 86 6.609 6.623 2.827 727 HA HIS 86 HA HIS 86 8.869 8.391 2.733 728 HB2 HIS 86 2HB HIS 86 9.088 6.003 2.142 729 HB3 HIS 86 1HB HIS 86 7.951 6.212 0.815 730 HD1 HIS 86 HD1 HIS 86 11.091 8.164 1.760 731 HD2 HIS 86 HD2 HIS 86 9.417 6.146 -1.465 732 HE1 HIS 86 HE1 HIS 86 12.726 8.431 -0.111 733 HE2 HIS 86 HE2 HIS 86 11.793 7.035 -1.979 734 H ALA 87 H ALA 87 5.749 8.213 1.119 735 HA ALA 87 HA ALA 87 6.323 10.067 -0.988 736 HB1 ALA 87 3HB ALA 87 4.454 8.467 -1.140 737 HB2 ALA 87 1HB ALA 87 3.889 10.128 -1.329 738 HB3 ALA 87 2HB ALA 87 3.640 9.278 0.200 739 H ILE 88 H ILE 88 5.079 10.423 2.350 740 HA ILE 88 HA ILE 88 4.613 13.249 2.259 741 HB ILE 88 HB ILE 88 5.400 11.580 4.692 742 HG12 ILE 88 2HG1 ILE 88 2.589 12.275 3.726 743 HG13 ILE 88 1HG1 ILE 88 3.345 10.699 3.555 744 HG21 ILE 88 1HG2 ILE 88 4.005 14.288 4.572 745 HG22 ILE 88 2HG2 ILE 88 5.666 14.002 5.092 746 HG23 ILE 88 3HG2 ILE 88 4.326 13.363 6.044 747 HD11 ILE 88 3HD1 ILE 88 3.430 10.477 5.993 748 HD12 ILE 88 1HD1 ILE 88 1.788 10.718 5.396 749 HD13 ILE 88 2HD1 ILE 88 2.650 12.054 6.155 750 H ASP 89 H ASP 89 7.377 11.222 2.985 751 HA ASP 89 HA ASP 89 9.275 13.163 3.780 752 HB2 ASP 89 2HB ASP 89 9.598 10.824 4.316 753 HB3 ASP 89 1HB ASP 89 9.525 10.361 2.623 754 H LEU 90 H LEU 90 8.374 11.889 0.576 755 HA LEU 90 HA LEU 90 10.341 13.549 -0.820 756 HB2 LEU 90 2HB LEU 90 8.207 11.690 -1.926 757 HB3 LEU 90 1HB LEU 90 9.413 12.525 -2.894 758 HG LEU 90 HG LEU 90 9.910 10.293 -0.884 759 HD11 LEU 90 1HD1 LEU 90 10.289 10.362 -3.895 760 HD12 LEU 90 2HD1 LEU 90 8.993 9.534 -3.025 761 HD13 LEU 90 3HD1 LEU 90 10.661 9.005 -2.824 762 HD21 LEU 90 3HD2 LEU 90 11.974 11.863 -2.471 763 HD22 LEU 90 1HD2 LEU 90 12.294 10.412 -1.514 764 HD23 LEU 90 2HD2 LEU 90 11.758 11.888 -0.719 765 H GLU 91 H GLU 91 7.377 14.122 0.534 766 HA GLU 91 HA GLU 91 5.861 15.791 0.477 767 HB2 GLU 91 2HB GLU 91 7.864 17.194 -1.339 768 HB3 GLU 91 1HB GLU 91 6.513 17.977 -0.514 769 HG2 GLU 91 2HG GLU 91 7.508 17.446 1.666 770 HG3 GLU 91 1HG GLU 91 8.832 16.584 0.877 771 H LEU 92 H LEU 92 5.812 13.644 -1.549 772 HA LEU 92 HA LEU 92 4.410 14.635 -3.851 773 HB2 LEU 92 2HB LEU 92 4.395 11.818 -2.704 774 HB3 LEU 92 1HB LEU 92 4.011 12.288 -4.355 775 HG LEU 92 HG LEU 92 6.757 12.400 -3.043 776 HD11 LEU 92 1HD1 LEU 92 5.764 10.611 -5.278 777 HD12 LEU 92 2HD1 LEU 92 6.038 10.124 -3.601 778 HD13 LEU 92 3HD1 LEU 92 7.396 10.644 -4.598 779 HD21 LEU 92 3HD2 LEU 92 7.647 13.080 -5.234 780 HD22 LEU 92 1HD2 LEU 92 6.518 14.276 -4.603 781 HD23 LEU 92 2HD2 LEU 92 6.010 13.176 -5.884 782 H ILE 93 H ILE 93 3.590 13.537 -0.623 783 HA ILE 93 HA ILE 93 0.909 14.720 -0.862 784 HB ILE 93 HB ILE 93 -0.095 12.943 0.619 785 HG12 ILE 93 2HG1 ILE 93 2.450 11.364 0.025 786 HG13 ILE 93 1HG1 ILE 93 2.016 12.039 1.590 787 HG21 ILE 93 1HG2 ILE 93 0.887 11.886 -2.057 788 HG22 ILE 93 2HG2 ILE 93 -0.551 12.873 -1.787 789 HG23 ILE 93 3HG2 ILE 93 -0.472 11.238 -1.131 790 HD11 ILE 93 3HD1 ILE 93 0.563 9.836 0.126 791 HD12 ILE 93 1HD1 ILE 93 0.081 10.520 1.681 792 HD13 ILE 93 2HD1 ILE 93 1.615 9.658 1.530 793 H THR 94 H THR 94 0.119 15.501 1.233 794 HA THR 94 HA THR 94 2.313 16.418 2.945 795 HB THR 94 HB THR 94 0.732 18.119 2.126 796 HG1 THR 94 HG1 THR 94 1.658 18.056 4.430 797 HG21 THR 94 3HG2 THR 94 -1.606 18.236 2.932 798 HG22 THR 94 1HG2 THR 94 -1.412 16.655 3.709 799 HG23 THR 94 2HG2 THR 94 -1.337 16.795 1.951 800 H LYS 95 H LYS 95 -0.372 14.195 3.055 801 HA LYS 95 HA LYS 95 0.452 13.178 5.673 802 HB2 LYS 95 2HB LYS 95 -1.360 14.891 6.141 803 HB3 LYS 95 1HB LYS 95 -2.455 13.973 5.115 804 HG2 LYS 95 2HG LYS 95 -2.134 12.010 6.686 805 HG3 LYS 95 1HG LYS 95 -1.223 13.086 7.741 806 HD2 LYS 95 2HD LYS 95 -3.406 13.021 8.656 807 HD3 LYS 95 1HD LYS 95 -3.312 14.568 7.819 808 HE2 LYS 95 2HE LYS 95 -4.582 12.079 6.614 809 HE3 LYS 95 1HE LYS 95 -5.484 13.296 7.513 810 HZ1 LYS 95 3HZ LYS 95 -4.722 14.934 5.851 811 HZ2 LYS 95 1HZ LYS 95 -5.710 13.726 5.218 812 HZ3 LYS 95 2HZ LYS 95 -4.048 13.673 4.952 813 H ASN 96 H ASN 96 -0.159 10.929 5.929 814 HA ASN 96 HA ASN 96 -1.264 9.682 3.492 815 HB2 ASN 96 2HB ASN 96 -0.144 7.702 3.960 816 HB3 ASN 96 1HB ASN 96 1.016 8.911 4.478 817 HD21 ASN 96 1HD2 ASN 96 1.535 9.019 6.672 818 HD22 ASN 96 2HD2 ASN 96 1.046 7.817 7.794 819 H VAL 97 H VAL 97 -3.112 8.619 3.528 820 HA VAL 97 HA VAL 97 -4.905 8.946 5.801 821 HB VAL 97 HB VAL 97 -6.645 8.108 4.176 822 HG11 VAL 97 1HG1 VAL 97 -6.652 10.123 2.742 823 HG12 VAL 97 2HG1 VAL 97 -4.969 10.441 3.159 824 HG13 VAL 97 3HG1 VAL 97 -6.219 10.545 4.402 825 HG21 VAL 97 3HG2 VAL 97 -4.355 8.131 2.162 826 HG22 VAL 97 1HG2 VAL 97 -6.054 7.836 1.794 827 HG23 VAL 97 2HG2 VAL 97 -5.150 6.683 2.775 828 H ALA 98 H ALA 98 -2.689 6.634 5.084 829 HA ALA 98 HA ALA 98 -4.265 4.266 5.797 830 HB1 ALA 98 3HB ALA 98 -2.194 3.017 5.341 831 HB2 ALA 98 1HB ALA 98 -1.317 4.532 5.107 832 HB3 ALA 98 2HB ALA 98 -2.597 4.070 3.983 833 H ALA 99 H ALA 99 -2.678 6.778 7.384 834 HA ALA 99 HA ALA 99 -1.494 5.479 9.621 835 HB1 ALA 99 3HB ALA 99 -0.948 7.800 8.979 836 HB2 ALA 99 1HB ALA 99 -1.499 7.717 10.658 837 HB3 ALA 99 2HB ALA 99 -2.583 8.309 9.396 838 H LYS 100 H LYS 100 -4.786 6.422 8.860 839 HA LYS 100 HA LYS 100 -5.854 5.871 11.522 840 HB2 LYS 100 2HB LYS 100 -7.275 6.400 8.873 841 HB3 LYS 100 1HB LYS 100 -8.056 6.326 10.452 842 HG2 LYS 100 2HG LYS 100 -5.993 8.372 9.574 843 HG3 LYS 100 1HG LYS 100 -7.734 8.640 9.720 844 HD2 LYS 100 2HD LYS 100 -7.561 8.183 12.183 845 HD3 LYS 100 1HD LYS 100 -5.812 8.003 12.003 846 HE2 LYS 100 2HE LYS 100 -6.388 10.249 12.835 847 HE3 LYS 100 1HE LYS 100 -5.650 10.347 11.237 848 HZ1 LYS 100 3HZ LYS 100 -7.833 10.605 10.270 849 HZ2 LYS 100 1HZ LYS 100 -7.582 11.792 11.444 850 HZ3 LYS 100 2HZ LYS 100 -8.568 10.465 11.787 851 H THR 101 H THR 101 -5.046 4.125 8.714 852 HA THR 101 HA THR 101 -7.034 2.010 9.042 853 HB THR 101 HB THR 101 -4.788 2.271 6.982 854 HG1 THR 101 HG1 THR 101 -6.566 3.928 7.069 855 HG21 THR 101 3HG2 THR 101 -6.119 0.648 5.666 856 HG22 THR 101 1HG2 THR 101 -7.267 0.503 7.005 857 HG23 THR 101 2HG2 THR 101 -5.606 -0.054 7.200 858 H LYS 102 H LYS 102 -6.569 0.694 10.714 859 HA LYS 102 HA LYS 102 -3.879 -0.556 10.918 860 HB2 LYS 102 2HB LYS 102 -4.319 -0.962 13.279 861 HB3 LYS 102 1HB LYS 102 -4.551 0.750 12.943 862 HG2 LYS 102 2HG LYS 102 -7.009 0.387 12.877 863 HG3 LYS 102 1HG LYS 102 -6.749 -1.316 13.275 864 HD2 LYS 102 2HD LYS 102 -5.724 -0.654 15.422 865 HD3 LYS 102 1HD LYS 102 -5.968 1.054 15.014 866 HE2 LYS 102 2HE LYS 102 -8.146 -1.027 15.410 867 HE3 LYS 102 1HE LYS 102 -7.716 0.257 16.540 868 HZ1 LYS 102 3HZ LYS 102 -8.831 0.646 13.805 869 HZ2 LYS 102 1HZ LYS 102 -8.409 1.889 14.872 870 HZ3 LYS 102 2HZ LYS 102 -9.673 0.838 15.257 871 H LEU 103 H LEU 103 -4.023 -2.860 11.815 872 HA LEU 103 HA LEU 103 -5.711 -4.569 10.360 873 HB2 LEU 103 2HB LEU 103 -3.613 -5.349 11.336 874 HB3 LEU 103 1HB LEU 103 -4.203 -5.021 12.957 875 HG LEU 103 HG LEU 103 -5.964 -6.807 12.616 876 HD11 LEU 103 1HD1 LEU 103 -4.431 -7.465 10.088 877 HD12 LEU 103 2HD1 LEU 103 -6.070 -6.814 10.187 878 HD13 LEU 103 3HD1 LEU 103 -5.728 -8.423 10.809 879 HD21 LEU 103 3HD2 LEU 103 -3.094 -7.767 12.382 880 HD22 LEU 103 1HD2 LEU 103 -4.470 -8.715 12.963 881 HD23 LEU 103 2HD2 LEU 103 -3.926 -7.306 13.871 882 HA PRO 104 HA PRO 104 -9.395 -4.018 13.039 883 HB2 PRO 104 2HB PRO 104 -11.215 -5.200 11.449 884 HB3 PRO 104 1HB PRO 104 -10.531 -3.620 11.024 885 HG2 PRO 104 2HG PRO 104 -9.754 -6.363 9.996 886 HG3 PRO 104 1HG PRO 104 -10.039 -4.873 9.073 887 HD2 PRO 104 2HD PRO 104 -7.527 -5.735 9.788 888 HD3 PRO 104 1HD PRO 104 -7.929 -4.020 9.549 889 H LYS 105 H LYS 105 -11.132 -5.617 13.807 890 HA LYS 105 HA LYS 105 -9.893 -7.979 14.932 891 HB2 LYS 105 2HB LYS 105 -12.713 -6.835 15.224 892 HB3 LYS 105 1HB LYS 105 -12.088 -8.211 16.136 893 HG2 LYS 105 2HG LYS 105 -11.071 -5.345 16.259 894 HG3 LYS 105 1HG LYS 105 -12.021 -6.184 17.491 895 HD2 LYS 105 2HD LYS 105 -10.175 -7.757 17.889 896 HD3 LYS 105 1HD LYS 105 -9.228 -7.018 16.595 897 HE2 LYS 105 2HE LYS 105 -9.172 -4.894 17.904 898 HE3 LYS 105 1HE LYS 105 -10.044 -5.702 19.208 899 HZ1 LYS 105 3HZ LYS 105 -7.672 -5.662 19.566 900 HZ2 LYS 105 1HZ LYS 105 -7.421 -6.530 18.141 901 HZ3 LYS 105 2HZ LYS 105 -8.249 -7.244 19.430 902 H ALA 106 H ALA 106 -9.565 -9.397 13.265 903 HA ALA 106 HA ALA 106 -11.794 -10.142 11.487 904 HB1 ALA 106 3HB ALA 106 -8.831 -10.744 11.227 905 HB2 ALA 106 1HB ALA 106 -9.676 -9.405 10.448 906 HB3 ALA 106 2HB ALA 106 -10.078 -11.067 10.020 907 H ASP 107 H ASP 107 -12.893 -11.346 13.083 908 HA ASP 107 HA ASP 107 -13.743 -13.271 13.852 909 HB2 ASP 107 2HB ASP 107 -11.451 -14.629 12.398 910 HB3 ASP 107 1HB ASP 107 -12.688 -15.525 13.276 911 H LYS 108 H LYS 108 -10.271 -14.135 14.187 912 HA LYS 108 HA LYS 108 -10.883 -14.880 16.996 913 HB2 LYS 108 2HB LYS 108 -9.036 -16.292 15.017 914 HB3 LYS 108 1HB LYS 108 -9.319 -16.784 16.684 915 HG2 LYS 108 2HG LYS 108 -11.559 -16.681 14.637 916 HG3 LYS 108 1HG LYS 108 -10.519 -18.088 14.811 917 HD2 LYS 108 2HD LYS 108 -12.422 -18.636 16.084 918 HD3 LYS 108 1HD LYS 108 -11.251 -18.123 17.293 919 HE2 LYS 108 2HE LYS 108 -12.383 -15.944 17.479 920 HE3 LYS 108 1HE LYS 108 -13.519 -16.399 16.207 921 HZ1 LYS 108 3HZ LYS 108 -14.395 -18.105 17.606 922 HZ2 LYS 108 1HZ LYS 108 -14.400 -16.651 18.466 923 HZ3 LYS 108 2HZ LYS 108 -13.225 -17.823 18.789 924 H GLU 109 H GLU 109 -9.536 -14.248 18.546 925 HA GLU 109 HA GLU 109 -6.690 -14.028 18.164 926 HB2 GLU 109 2HB GLU 109 -6.452 -11.747 19.117 927 HB3 GLU 109 1HB GLU 109 -7.303 -11.725 17.576 928 HG2 GLU 109 2HG GLU 109 -9.444 -11.439 18.719 929 HG3 GLU 109 1HG GLU 109 -8.651 -11.566 20.291 930 H GLU 110 H GLU 110 -5.558 -13.885 20.229 931 HA GLU 110 HA GLU 110 -6.754 -15.698 22.102 932 HB2 GLU 110 2HB GLU 110 -4.560 -15.617 23.237 933 HB3 GLU 110 1HB GLU 110 -4.401 -15.869 21.500 934 HG2 GLU 110 2HG GLU 110 -3.876 -13.439 21.237 935 HG3 GLU 110 1HG GLU 110 -3.930 -13.269 22.993 936 H LEU 111 H LEU 111 -7.441 -12.544 21.916 937 HA LEU 111 HA LEU 111 -6.877 -11.686 24.643 938 HB2 LEU 111 2HB LEU 111 -8.158 -10.211 22.315 939 HB3 LEU 111 1HB LEU 111 -7.773 -9.497 23.879 940 HG LEU 111 HG LEU 111 -5.780 -10.549 21.825 941 HD11 LEU 111 1HD1 LEU 111 -4.993 -8.227 21.718 942 HD12 LEU 111 2HD1 LEU 111 -6.271 -7.735 22.834 943 HD13 LEU 111 3HD1 LEU 111 -6.685 -8.369 21.238 944 HD21 LEU 111 3HD2 LEU 111 -5.222 -9.446 24.601 945 HD22 LEU 111 1HD2 LEU 111 -3.999 -9.793 23.373 946 HD23 LEU 111 2HD2 LEU 111 -4.957 -11.103 24.056 947 H GLU 112 H GLU 112 -9.351 -13.375 23.103 948 HA GLU 112 HA GLU 112 -11.651 -12.519 24.524 949 HB2 GLU 112 2HB GLU 112 -11.835 -13.984 22.575 950 HB3 GLU 112 1HB GLU 112 -10.892 -15.238 23.379 951 HG2 GLU 112 2HG GLU 112 -12.751 -15.438 25.078 952 HG3 GLU 112 1HG GLU 112 -13.695 -14.298 24.108 953 H HIS 113 H HIS 113 -9.469 -15.334 25.119 954 HA HIS 113 HA HIS 113 -10.501 -15.700 27.799 955 HB2 HIS 113 2HB HIS 113 -9.137 -17.683 27.913 956 HB3 HIS 113 1HB HIS 113 -9.894 -17.633 26.330 957 HD1 HIS 113 HD1 HIS 113 -8.360 -17.576 24.299 958 HD2 HIS 113 HD2 HIS 113 -6.306 -17.292 27.891 959 HE1 HIS 113 HE1 HIS 113 -5.942 -17.820 23.703 960 HE2 HIS 113 HE2 HIS 113 -4.714 -17.446 25.868 961 H HIS 114 H HIS 114 -8.551 -13.378 26.759 962 HA HIS 114 HA HIS 114 -6.493 -13.301 28.750 963 HB2 HIS 114 2HB HIS 114 -6.425 -12.028 26.587 964 HB3 HIS 114 1HB HIS 114 -7.728 -10.999 27.170 965 HD1 HIS 114 HD1 HIS 114 -6.758 -8.797 27.750 966 HD2 HIS 114 HD2 HIS 114 -4.200 -11.889 28.811 967 HE1 HIS 114 HE1 HIS 114 -4.774 -7.690 28.815 968 HE2 HIS 114 HE2 HIS 114 -3.342 -9.591 29.628 969 H HIS 115 H HIS 115 -9.887 -12.643 28.747 970 HA HIS 115 HA HIS 115 -9.732 -12.321 31.654 971 HB2 HIS 115 2HB HIS 115 -11.368 -10.550 31.769 972 HB3 HIS 115 1HB HIS 115 -10.090 -10.016 30.697 973 HD1 HIS 115 HD1 HIS 115 -13.615 -9.966 30.958 974 HD2 HIS 115 HD2 HIS 115 -10.982 -10.551 27.792 975 HE1 HIS 115 HE1 HIS 115 -14.948 -9.507 28.884 976 HE2 HIS 115 HE2 HIS 115 -13.391 -10.053 26.986 977 H HIS 116 H HIS 116 -10.960 -13.857 32.577 978 HA HIS 116 HA HIS 116 -12.886 -15.349 30.928 979 HB2 HIS 116 2HB HIS 116 -10.992 -16.643 31.831 980 HB3 HIS 116 1HB HIS 116 -11.401 -16.149 33.467 981 HD1 HIS 116 HD1 HIS 116 -12.647 -17.881 34.711 982 HD2 HIS 116 HD2 HIS 116 -13.300 -18.197 30.629 983 HE1 HIS 116 HE1 HIS 116 -14.091 -19.911 34.421 984 HE2 HIS 116 HE2 HIS 116 -14.278 -20.197 31.929 985 H HIS 117 H HIS 117 -14.996 -15.030 31.341 986 HA HIS 117 HA HIS 117 -15.989 -13.622 33.617 987 HB2 HIS 117 2HB HIS 117 -18.215 -14.066 32.732 988 HB3 HIS 117 1HB HIS 117 -17.151 -13.608 31.411 989 HD1 HIS 117 HD1 HIS 117 -16.571 -15.457 29.665 990 HD2 HIS 117 HD2 HIS 117 -19.296 -16.650 32.564 991 HE1 HIS 117 HE1 HIS 117 -17.531 -17.616 28.832 992 HE2 HIS 117 HE2 HIS 117 -19.292 -18.242 30.523 993 H HIS 118 H HIS 118 -17.013 -14.389 35.481 994 HA HIS 118 HA HIS 118 -16.687 -17.256 36.098 995 HB2 HIS 118 2HB HIS 118 -15.745 -15.648 37.737 996 HB3 HIS 118 1HB HIS 118 -17.333 -14.924 37.962 997 HD1 HIS 118 HD1 HIS 118 -18.303 -15.678 40.114 998 HD2 HIS 118 HD2 HIS 118 -16.066 -18.687 38.318 999 HE1 HIS 118 HE1 HIS 118 -18.470 -17.652 41.655 1000 HE2 HIS 118 HE2 HIS 118 -17.050 -19.430 40.588 Start of MODEL 5 1 H1 MET 1 1H MET 1 4.150 21.564 -5.180 2 H2 MET 1 2H MET 1 4.248 20.362 -6.362 3 H3 MET 1 3H MET 1 4.362 19.954 -4.726 4 HA MET 1 HA MET 1 2.112 20.684 -4.343 5 HB2 MET 1 2HB MET 1 2.007 21.015 -7.373 6 HB3 MET 1 1HB MET 1 0.639 21.189 -6.275 7 HG2 MET 1 2HG MET 1 3.091 22.975 -6.373 8 HG3 MET 1 1HG MET 1 1.483 23.379 -6.971 9 HE1 MET 1 3HE MET 1 -0.571 23.781 -3.654 10 HE2 MET 1 1HE MET 1 -0.502 22.367 -4.703 11 HE3 MET 1 2HE MET 1 -0.580 23.981 -5.409 12 H GLU 2 H GLU 2 0.188 19.264 -5.002 13 HA GLU 2 HA GLU 2 0.888 16.538 -4.843 14 HB2 GLU 2 2HB GLU 2 -1.779 17.800 -5.621 15 HB3 GLU 2 1HB GLU 2 -1.546 16.133 -5.096 16 HG2 GLU 2 2HG GLU 2 -0.909 16.887 -2.856 17 HG3 GLU 2 1HG GLU 2 -1.000 18.577 -3.362 18 HA PRO 3 HA PRO 3 1.422 15.961 -9.321 19 HB2 PRO 3 2HB PRO 3 2.300 13.406 -9.348 20 HB3 PRO 3 1HB PRO 3 3.302 14.733 -8.739 21 HG2 PRO 3 2HG PRO 3 1.636 12.753 -7.186 22 HG3 PRO 3 1HG PRO 3 3.300 13.292 -6.875 23 HD2 PRO 3 2HD PRO 3 1.112 14.325 -5.557 24 HD3 PRO 3 1HD PRO 3 2.603 15.253 -5.829 25 H SER 4 H SER 4 -0.361 15.869 -10.535 26 HA SER 4 HA SER 4 -2.375 13.773 -10.387 27 HB2 SER 4 2HB SER 4 -1.938 15.891 -12.552 28 HB3 SER 4 1HB SER 4 -3.425 14.971 -12.251 29 HG SER 4 HG SER 4 -2.719 17.276 -11.224 30 H LYS 5 H LYS 5 0.690 13.494 -11.176 31 HA LYS 5 HA LYS 5 0.485 12.360 -13.890 32 HB2 LYS 5 2HB LYS 5 3.069 13.080 -12.434 33 HB3 LYS 5 1HB LYS 5 2.794 12.919 -14.171 34 HG2 LYS 5 2HG LYS 5 1.778 15.137 -12.363 35 HG3 LYS 5 1HG LYS 5 3.135 15.250 -13.498 36 HD2 LYS 5 2HD LYS 5 0.219 14.751 -14.272 37 HD3 LYS 5 1HD LYS 5 1.043 16.305 -14.371 38 HE2 LYS 5 2HE LYS 5 1.841 13.820 -15.921 39 HE3 LYS 5 1HE LYS 5 0.903 15.163 -16.572 40 HZ1 LYS 5 3HZ LYS 5 3.210 15.372 -17.178 41 HZ2 LYS 5 1HZ LYS 5 3.689 15.305 -15.559 42 HZ3 LYS 5 2HZ LYS 5 2.796 16.622 -16.124 43 H LEU 6 H LEU 6 2.216 11.912 -10.797 44 HA LEU 6 HA LEU 6 3.140 9.292 -11.334 45 HB2 LEU 6 2HB LEU 6 4.255 10.863 -9.767 46 HB3 LEU 6 1HB LEU 6 2.888 10.746 -8.675 47 HG LEU 6 HG LEU 6 3.382 8.313 -8.323 48 HD11 LEU 6 1HD1 LEU 6 4.483 7.774 -10.431 49 HD12 LEU 6 2HD1 LEU 6 5.524 7.356 -9.074 50 HD13 LEU 6 3HD1 LEU 6 5.854 8.812 -10.019 51 HD21 LEU 6 3HD2 LEU 6 5.376 8.617 -6.918 52 HD22 LEU 6 1HD2 LEU 6 4.258 9.966 -6.740 53 HD23 LEU 6 2HD2 LEU 6 5.721 10.157 -7.711 54 H SER 7 H SER 7 1.688 7.690 -11.671 55 HA SER 7 HA SER 7 -0.644 7.221 -10.069 56 HB2 SER 7 2HB SER 7 0.889 5.199 -11.764 57 HB3 SER 7 1HB SER 7 -0.768 5.036 -11.175 58 HG SER 7 HG SER 7 -0.484 5.777 -13.405 59 H TYR 8 H TYR 8 -0.871 5.774 -8.324 60 HA TYR 8 HA TYR 8 1.242 5.625 -6.490 61 HB2 TYR 8 2HB TYR 8 -1.174 5.665 -5.878 62 HB3 TYR 8 1HB TYR 8 -1.355 4.025 -6.494 63 HD1 TYR 8 HD1 TYR 8 1.285 5.615 -4.331 64 HD2 TYR 8 HD2 TYR 8 -1.739 2.602 -4.613 65 HE1 TYR 8 HE1 TYR 8 1.914 4.782 -2.110 66 HE2 TYR 8 HE2 TYR 8 -1.106 1.780 -2.380 67 HH TYR 8 HH TYR 8 0.997 1.812 -0.946 68 H GLY 9 H GLY 9 0.084 3.349 -8.897 69 HA2 GLY 9 2HA GLY 9 1.419 0.991 -8.018 70 HA3 GLY 9 1HA GLY 9 0.825 1.306 -9.650 71 H GLU 10 H GLU 10 2.307 3.627 -10.225 72 HA GLU 10 HA GLU 10 4.826 2.655 -11.098 73 HB2 GLU 10 2HB GLU 10 3.919 5.552 -10.734 74 HB3 GLU 10 1HB GLU 10 5.297 5.020 -11.702 75 HG2 GLU 10 2HG GLU 10 2.378 4.374 -12.234 76 HG3 GLU 10 1HG GLU 10 3.331 5.596 -13.074 77 H TYR 11 H TYR 11 3.780 4.645 -8.392 78 HA TYR 11 HA TYR 11 6.325 5.254 -7.306 79 HB2 TYR 11 2HB TYR 11 4.364 6.650 -6.796 80 HB3 TYR 11 1HB TYR 11 3.553 5.288 -6.030 81 HD1 TYR 11 HD1 TYR 11 6.821 7.139 -5.758 82 HD2 TYR 11 HD2 TYR 11 3.608 5.232 -3.680 83 HE1 TYR 11 HE1 TYR 11 7.867 7.715 -3.620 84 HE2 TYR 11 HE2 TYR 11 4.651 5.819 -1.538 85 HH TYR 11 HH TYR 11 6.763 6.408 -0.632 86 H LEU 12 H LEU 12 4.053 2.583 -6.826 87 HA LEU 12 HA LEU 12 5.230 1.446 -4.491 88 HB2 LEU 12 2HB LEU 12 3.398 0.295 -6.615 89 HB3 LEU 12 1HB LEU 12 3.948 -0.656 -5.243 90 HG LEU 12 HG LEU 12 2.359 1.922 -4.975 91 HD11 LEU 12 1HD1 LEU 12 1.367 -0.937 -4.837 92 HD12 LEU 12 2HD1 LEU 12 1.010 0.234 -6.106 93 HD13 LEU 12 3HD1 LEU 12 0.425 0.510 -4.471 94 HD21 LEU 12 3HD2 LEU 12 3.727 1.435 -3.000 95 HD22 LEU 12 1HD2 LEU 12 3.082 -0.209 -2.927 96 HD23 LEU 12 2HD2 LEU 12 2.022 1.173 -2.641 97 H GLU 13 H GLU 13 5.739 1.021 -7.958 98 HA GLU 13 HA GLU 13 7.525 -1.177 -7.830 99 HB2 GLU 13 2HB GLU 13 7.201 1.054 -9.873 100 HB3 GLU 13 1HB GLU 13 8.270 -0.329 -10.113 101 HG2 GLU 13 2HG GLU 13 5.257 -0.419 -9.769 102 HG3 GLU 13 1HG GLU 13 6.141 -0.650 -11.276 103 H SER 14 H SER 14 8.142 2.324 -8.041 104 HA SER 14 HA SER 14 10.956 2.252 -7.913 105 HB2 SER 14 2HB SER 14 9.028 4.446 -7.027 106 HB3 SER 14 1HB SER 14 10.748 4.670 -7.360 107 HG SER 14 HG SER 14 8.617 4.246 -9.134 108 H TRP 15 H TRP 15 8.523 2.672 -5.366 109 HA TRP 15 HA TRP 15 10.149 2.949 -3.107 110 HB2 TRP 15 2HB TRP 15 7.756 3.443 -3.013 111 HB3 TRP 15 1HB TRP 15 7.342 1.787 -3.431 112 HD1 TRP 15 HD1 TRP 15 8.680 3.872 -0.445 113 HE1 TRP 15 HE1 TRP 15 8.202 2.566 1.722 114 HE3 TRP 15 HE3 TRP 15 6.933 -0.501 -2.470 115 HZ2 TRP 15 HZ2 TRP 15 7.235 0.031 2.484 116 HZ3 TRP 15 HZ3 TRP 15 6.265 -2.320 -0.952 117 HH2 TRP 15 HH2 TRP 15 6.412 -2.059 1.478 118 H PHE 16 H PHE 16 8.659 0.059 -4.548 119 HA PHE 16 HA PHE 16 9.440 -1.911 -2.775 120 HB2 PHE 16 2HB PHE 16 7.798 -2.439 -4.458 121 HB3 PHE 16 1HB PHE 16 8.896 -2.032 -5.772 122 HD1 PHE 16 HD2 PHE 16 8.565 -4.439 -2.916 123 HD2 PHE 16 HD1 PHE 16 10.042 -3.776 -6.873 124 HE1 PHE 16 HE2 PHE 16 9.316 -6.756 -3.038 125 HE2 PHE 16 HE1 PHE 16 10.800 -6.108 -6.978 126 HZ PHE 16 HZ PHE 16 10.436 -7.604 -5.058 127 H ASN 17 H ASN 17 11.117 -1.034 -5.816 128 HA ASN 17 HA ASN 17 13.111 -2.971 -5.773 129 HB2 ASN 17 2HB ASN 17 12.938 -0.257 -7.105 130 HB3 ASN 17 1HB ASN 17 14.390 -1.220 -7.275 131 HD21 ASN 17 1HD2 ASN 17 11.229 -0.707 -8.450 132 HD22 ASN 17 2HD2 ASN 17 11.153 -2.057 -9.521 133 H THR 18 H THR 18 13.217 0.318 -4.425 134 HA THR 18 HA THR 18 15.944 0.006 -3.491 135 HB THR 18 HB THR 18 15.146 2.226 -4.223 136 HG1 THR 18 HG1 THR 18 15.559 2.891 -1.618 137 HG21 THR 18 3HG2 THR 18 13.613 3.550 -2.826 138 HG22 THR 18 1HG2 THR 18 13.355 2.162 -1.766 139 HG23 THR 18 2HG2 THR 18 12.801 2.111 -3.441 140 H LYS 19 H LYS 19 12.757 -0.617 -2.173 141 HA LYS 19 HA LYS 19 13.513 -0.281 0.608 142 HB2 LYS 19 2HB LYS 19 11.191 0.201 -0.393 143 HB3 LYS 19 1HB LYS 19 10.940 -1.538 -0.432 144 HG2 LYS 19 2HG LYS 19 9.877 -0.555 1.525 145 HG3 LYS 19 1HG LYS 19 11.198 -1.619 2.030 146 HD2 LYS 19 2HD LYS 19 12.669 0.308 2.407 147 HD3 LYS 19 1HD LYS 19 11.444 1.412 1.769 148 HE2 LYS 19 2HE LYS 19 11.527 1.478 4.224 149 HE3 LYS 19 1HE LYS 19 9.976 0.886 3.654 150 HZ1 LYS 19 3HZ LYS 19 10.711 -0.419 5.490 151 HZ2 LYS 19 1HZ LYS 19 12.181 -0.767 4.727 152 HZ3 LYS 19 2HZ LYS 19 10.734 -1.371 4.098 153 H ARG 20 H ARG 20 13.575 -2.849 -1.688 154 HA ARG 20 HA ARG 20 13.424 -5.179 -0.215 155 HB2 ARG 20 2HB ARG 20 15.409 -4.592 -2.444 156 HB3 ARG 20 1HB ARG 20 14.925 -6.201 -1.892 157 HG2 ARG 20 2HG ARG 20 12.603 -5.729 -2.616 158 HG3 ARG 20 1HG ARG 20 13.106 -4.139 -3.189 159 HD2 ARG 20 2HD ARG 20 14.126 -6.799 -4.234 160 HD3 ARG 20 1HD ARG 20 12.926 -5.774 -5.030 161 HE ARG 20 HE ARG 20 15.265 -4.270 -4.586 162 HH11 ARG 20 1HH1 ARG 20 14.238 -6.961 -6.590 163 HH12 ARG 20 2HH1 ARG 20 15.361 -6.590 -7.859 164 HH21 ARG 20 1HH2 ARG 20 16.686 -3.762 -6.237 165 HH22 ARG 20 2HH2 ARG 20 16.755 -4.747 -7.664 166 H HIS 21 H HIS 21 15.951 -2.806 -0.102 167 HA HIS 21 HA HIS 21 18.050 -4.404 0.990 168 HB2 HIS 21 2HB HIS 21 17.662 -1.380 0.966 169 HB3 HIS 21 1HB HIS 21 19.155 -2.193 1.427 170 HD1 HIS 21 HD1 HIS 21 20.793 -2.493 -0.433 171 HD2 HIS 21 HD2 HIS 21 16.923 -2.013 -1.865 172 HE1 HIS 21 HE1 HIS 21 21.006 -2.442 -2.931 173 HE2 HIS 21 HE2 HIS 21 18.635 -2.371 -3.771 174 H SER 22 H SER 22 15.287 -2.813 2.419 175 HA SER 22 HA SER 22 16.402 -2.989 5.158 176 HB2 SER 22 2HB SER 22 14.439 -1.527 5.783 177 HB3 SER 22 1HB SER 22 15.529 -0.788 4.603 178 HG SER 22 HG SER 22 14.066 -1.206 3.006 179 H VAL 23 H VAL 23 13.648 -4.006 3.142 180 HA VAL 23 HA VAL 23 12.313 -5.388 5.299 181 HB VAL 23 HB VAL 23 10.640 -6.105 3.670 182 HG11 VAL 23 1HG1 VAL 23 10.428 -3.818 4.534 183 HG12 VAL 23 2HG1 VAL 23 9.820 -3.914 2.885 184 HG13 VAL 23 3HG1 VAL 23 11.402 -3.195 3.197 185 HG21 VAL 23 3HG2 VAL 23 12.403 -4.941 1.471 186 HG22 VAL 23 1HG2 VAL 23 10.762 -5.563 1.252 187 HG23 VAL 23 2HG2 VAL 23 12.064 -6.654 1.734 188 H GLY 24 H GLY 24 14.413 -6.306 2.585 189 HA2 GLY 24 2HA GLY 24 15.878 -8.260 2.909 190 HA3 GLY 24 1HA GLY 24 14.496 -9.117 3.592 191 H ILE 25 H ILE 25 16.031 -10.041 1.392 192 HA ILE 25 HA ILE 25 14.855 -9.457 -1.132 193 HB ILE 25 HB ILE 25 16.447 -11.929 -0.312 194 HG12 ILE 25 2HG1 ILE 25 17.728 -9.851 0.107 195 HG13 ILE 25 1HG1 ILE 25 18.438 -10.750 -1.224 196 HG21 ILE 25 1HG2 ILE 25 16.976 -12.201 -2.722 197 HG22 ILE 25 2HG2 ILE 25 15.908 -10.852 -3.111 198 HG23 ILE 25 3HG2 ILE 25 15.240 -12.333 -2.421 199 HD11 ILE 25 3HD1 ILE 25 17.389 -9.206 -2.816 200 HD12 ILE 25 1HD1 ILE 25 18.441 -8.378 -1.666 201 HD13 ILE 25 2HD1 ILE 25 16.692 -8.303 -1.465 202 H GLN 26 H GLN 26 14.359 -12.168 1.153 203 HA GLN 26 HA GLN 26 12.365 -13.500 -0.392 204 HB2 GLN 26 2HB GLN 26 11.887 -14.823 1.632 205 HB3 GLN 26 1HB GLN 26 13.610 -14.723 1.315 206 HG2 GLN 26 2HG GLN 26 13.903 -13.119 3.132 207 HG3 GLN 26 1HG GLN 26 12.160 -13.038 3.380 208 HE21 GLN 26 1HE2 GLN 26 13.927 -16.061 2.796 209 HE22 GLN 26 2HE2 GLN 26 13.670 -16.711 4.373 210 H THR 27 H THR 27 12.174 -11.236 2.344 211 HA THR 27 HA THR 27 9.401 -11.038 2.628 212 HB THR 27 HB THR 27 11.395 -8.773 3.073 213 HG1 THR 27 HG1 THR 27 10.631 -10.710 5.001 214 HG21 THR 27 3HG2 THR 27 8.745 -9.377 4.458 215 HG22 THR 27 1HG2 THR 27 9.016 -8.073 3.294 216 HG23 THR 27 2HG2 THR 27 9.840 -8.053 4.855 217 H ALA 28 H ALA 28 11.608 -9.485 0.354 218 HA ALA 28 HA ALA 28 9.914 -7.477 -0.706 219 HB1 ALA 28 3HB ALA 28 12.353 -7.497 -1.064 220 HB2 ALA 28 1HB ALA 28 11.498 -7.444 -2.606 221 HB3 ALA 28 2HB ALA 28 12.211 -8.957 -2.042 222 H LYS 29 H LYS 29 10.490 -10.862 -1.618 223 HA LYS 29 HA LYS 29 8.890 -10.940 -3.944 224 HB2 LYS 29 2HB LYS 29 10.567 -12.577 -3.758 225 HB3 LYS 29 1HB LYS 29 10.170 -12.962 -2.095 226 HG2 LYS 29 2HG LYS 29 8.159 -13.647 -4.216 227 HG3 LYS 29 1HG LYS 29 9.629 -14.621 -4.118 228 HD2 LYS 29 2HD LYS 29 9.132 -15.146 -1.743 229 HD3 LYS 29 1HD LYS 29 7.672 -14.151 -1.822 230 HE2 LYS 29 2HE LYS 29 7.076 -16.485 -2.054 231 HE3 LYS 29 1HE LYS 29 6.784 -15.650 -3.580 232 HZ1 LYS 29 3HZ LYS 29 8.906 -16.516 -4.395 233 HZ2 LYS 29 1HZ LYS 29 7.848 -17.759 -3.965 234 HZ3 LYS 29 2HZ LYS 29 9.131 -17.357 -2.947 235 H VAL 30 H VAL 30 8.232 -11.468 -0.534 236 HA VAL 30 HA VAL 30 5.586 -12.479 -0.697 237 HB VAL 30 HB VAL 30 6.941 -10.888 1.545 238 HG11 VAL 30 1HG1 VAL 30 4.407 -12.569 1.668 239 HG12 VAL 30 2HG1 VAL 30 4.502 -10.816 1.842 240 HG13 VAL 30 3HG1 VAL 30 5.225 -11.863 3.065 241 HG21 VAL 30 3HG2 VAL 30 7.360 -13.095 2.589 242 HG22 VAL 30 1HG2 VAL 30 8.138 -12.987 1.009 243 HG23 VAL 30 2HG2 VAL 30 6.641 -13.903 1.197 244 H LEU 31 H LEU 31 6.874 -9.176 -0.236 245 HA LEU 31 HA LEU 31 4.347 -7.872 -0.011 246 HB2 LEU 31 2HB LEU 31 7.032 -6.619 -0.708 247 HB3 LEU 31 1HB LEU 31 5.597 -5.752 -0.176 248 HG LEU 31 HG LEU 31 7.366 -7.595 1.466 249 HD11 LEU 31 1HD1 LEU 31 6.667 -4.671 1.825 250 HD12 LEU 31 2HD1 LEU 31 8.195 -5.327 1.234 251 HD13 LEU 31 3HD1 LEU 31 7.695 -5.637 2.892 252 HD21 LEU 31 3HD2 LEU 31 5.830 -7.244 3.371 253 HD22 LEU 31 1HD2 LEU 31 5.093 -8.171 2.071 254 HD23 LEU 31 2HD2 LEU 31 4.668 -6.475 2.291 255 H LYS 32 H LYS 32 6.519 -8.485 -2.711 256 HA LYS 32 HA LYS 32 5.324 -6.744 -4.629 257 HB2 LYS 32 2HB LYS 32 7.630 -7.627 -4.862 258 HB3 LYS 32 1HB LYS 32 7.000 -9.256 -5.049 259 HG2 LYS 32 2HG LYS 32 5.845 -8.514 -7.160 260 HG3 LYS 32 1HG LYS 32 6.596 -6.929 -6.964 261 HD2 LYS 32 2HD LYS 32 7.824 -8.306 -8.591 262 HD3 LYS 32 1HD LYS 32 8.827 -7.919 -7.193 263 HE2 LYS 32 2HE LYS 32 8.392 -10.190 -6.276 264 HE3 LYS 32 1HE LYS 32 7.405 -10.563 -7.689 265 HZ1 LYS 32 3HZ LYS 32 9.371 -10.213 -9.073 266 HZ2 LYS 32 1HZ LYS 32 9.594 -11.448 -7.942 267 HZ3 LYS 32 2HZ LYS 32 10.298 -9.935 -7.687 268 H GLY 33 H GLY 33 5.025 -10.202 -3.895 269 HA2 GLY 33 2HA GLY 33 3.150 -10.967 -5.841 270 HA3 GLY 33 1HA GLY 33 3.377 -11.752 -4.284 271 H TYR 34 H TYR 34 2.742 -9.330 -2.771 272 HA TYR 34 HA TYR 34 -0.165 -9.436 -2.811 273 HB2 TYR 34 2HB TYR 34 1.831 -8.034 -0.995 274 HB3 TYR 34 1HB TYR 34 0.086 -7.942 -0.788 275 HD1 TYR 34 HD2 TYR 34 -0.249 -11.029 -1.632 276 HD2 TYR 34 HD1 TYR 34 2.089 -8.942 1.278 277 HE1 TYR 34 HE2 TYR 34 -0.210 -13.034 -0.222 278 HE2 TYR 34 HE1 TYR 34 2.103 -10.942 2.692 279 HH TYR 34 HH TYR 34 1.241 -13.991 1.583 280 H LEU 35 H LEU 35 2.381 -7.219 -3.841 281 HA LEU 35 HA LEU 35 0.877 -4.821 -3.878 282 HB2 LEU 35 2HB LEU 35 3.398 -5.707 -5.292 283 HB3 LEU 35 1HB LEU 35 2.641 -4.187 -5.746 284 HG LEU 35 HG LEU 35 3.599 -4.845 -2.927 285 HD11 LEU 35 1HD1 LEU 35 5.436 -3.264 -3.329 286 HD12 LEU 35 2HD1 LEU 35 4.928 -3.080 -5.013 287 HD13 LEU 35 3HD1 LEU 35 5.523 -4.638 -4.433 288 HD21 LEU 35 3HD2 LEU 35 3.219 -2.439 -2.508 289 HD22 LEU 35 1HD2 LEU 35 1.732 -3.285 -2.932 290 HD23 LEU 35 2HD2 LEU 35 2.539 -2.269 -4.127 291 H ASN 36 H ASN 36 1.774 -6.947 -6.624 292 HA ASN 36 HA ASN 36 0.030 -5.644 -8.457 293 HB2 ASN 36 2HB ASN 36 0.575 -7.466 -10.028 294 HB3 ASN 36 1HB ASN 36 2.012 -6.821 -9.254 295 HD21 ASN 36 1HD2 ASN 36 3.279 -8.173 -8.033 296 HD22 ASN 36 2HD2 ASN 36 2.982 -9.865 -7.847 297 H SER 37 H SER 37 -0.568 -8.100 -6.113 298 HA SER 37 HA SER 37 -2.926 -9.232 -7.376 299 HB2 SER 37 2HB SER 37 -1.549 -10.662 -5.952 300 HB3 SER 37 1HB SER 37 -1.718 -9.556 -4.594 301 HG SER 37 HG SER 37 -4.044 -10.603 -5.736 302 H ARG 38 H ARG 38 -2.265 -7.120 -4.585 303 HA ARG 38 HA ARG 38 -5.140 -6.809 -4.068 304 HB2 ARG 38 2HB ARG 38 -2.755 -6.112 -2.297 305 HB3 ARG 38 1HB ARG 38 -4.448 -5.987 -1.824 306 HG2 ARG 38 2HG ARG 38 -3.003 -8.565 -2.542 307 HG3 ARG 38 1HG ARG 38 -3.371 -8.013 -0.903 308 HD2 ARG 38 2HD ARG 38 -5.719 -8.303 -1.235 309 HD3 ARG 38 1HD ARG 38 -5.537 -8.468 -2.983 310 HE ARG 38 HE ARG 38 -4.116 -10.515 -1.611 311 HH11 ARG 38 1HH1 ARG 38 -7.399 -9.606 -2.494 312 HH12 ARG 38 2HH1 ARG 38 -7.949 -11.247 -2.608 313 HH21 ARG 38 1HH2 ARG 38 -4.832 -12.647 -1.809 314 HH22 ARG 38 2HH2 ARG 38 -6.490 -12.971 -2.206 315 H ILE 39 H ILE 39 -2.195 -4.718 -4.171 316 HA ILE 39 HA ILE 39 -3.879 -2.388 -3.798 317 HB ILE 39 HB ILE 39 -0.848 -2.402 -4.141 318 HG12 ILE 39 2HG1 ILE 39 -0.943 -1.991 -1.515 319 HG13 ILE 39 1HG1 ILE 39 -2.520 -2.765 -1.607 320 HG21 ILE 39 1HG2 ILE 39 -2.727 -0.291 -3.009 321 HG22 ILE 39 2HG2 ILE 39 -1.875 -0.220 -4.554 322 HG23 ILE 39 3HG2 ILE 39 -0.963 -0.180 -3.047 323 HD11 ILE 39 3HD1 ILE 39 -1.432 -4.782 -2.494 324 HD12 ILE 39 1HD1 ILE 39 -0.808 -4.306 -0.913 325 HD13 ILE 39 2HD1 ILE 39 0.132 -3.971 -2.367 326 H ILE 40 H ILE 40 -1.947 -3.743 -6.485 327 HA ILE 40 HA ILE 40 -2.012 -1.443 -8.140 328 HB ILE 40 HB ILE 40 -1.262 -4.300 -8.589 329 HG12 ILE 40 2HG1 ILE 40 0.788 -3.288 -9.594 330 HG13 ILE 40 1HG1 ILE 40 0.072 -1.688 -9.474 331 HG21 ILE 40 1HG2 ILE 40 -2.747 -4.061 -10.510 332 HG22 ILE 40 2HG2 ILE 40 -1.073 -4.099 -11.050 333 HG23 ILE 40 3HG2 ILE 40 -1.938 -2.564 -10.990 334 HD11 ILE 40 3HD1 ILE 40 0.122 -1.889 -7.020 335 HD12 ILE 40 1HD1 ILE 40 1.716 -2.024 -7.761 336 HD13 ILE 40 2HD1 ILE 40 0.887 -3.470 -7.189 337 HA PRO 41 HA PRO 41 -6.105 -3.327 -10.201 338 HB2 PRO 41 2HB PRO 41 -7.155 -4.902 -7.844 339 HB3 PRO 41 1HB PRO 41 -7.302 -5.239 -9.577 340 HG2 PRO 41 2HG PRO 41 -5.592 -6.638 -8.105 341 HG3 PRO 41 1HG PRO 41 -5.111 -6.088 -9.728 342 HD2 PRO 41 2HD PRO 41 -4.408 -4.890 -7.034 343 HD3 PRO 41 1HD PRO 41 -3.352 -5.201 -8.430 344 H SER 42 H SER 42 -5.823 -2.576 -6.753 345 HA SER 42 HA SER 42 -8.443 -1.319 -6.607 346 HB2 SER 42 2HB SER 42 -7.606 -2.693 -4.717 347 HB3 SER 42 1HB SER 42 -6.261 -1.579 -4.494 348 HG SER 42 HG SER 42 -9.031 -1.029 -4.147 349 H LEU 43 H LEU 43 -5.201 -0.125 -5.640 350 HA LEU 43 HA LEU 43 -6.040 2.651 -6.192 351 HB2 LEU 43 2HB LEU 43 -3.891 1.671 -4.281 352 HB3 LEU 43 1HB LEU 43 -4.542 3.303 -4.389 353 HG LEU 43 HG LEU 43 -6.078 0.839 -3.450 354 HD11 LEU 43 1HD1 LEU 43 -6.043 1.849 -1.225 355 HD12 LEU 43 2HD1 LEU 43 -5.029 3.166 -1.825 356 HD13 LEU 43 3HD1 LEU 43 -4.415 1.511 -1.812 357 HD21 LEU 43 3HD2 LEU 43 -6.984 3.734 -3.587 358 HD22 LEU 43 1HD2 LEU 43 -7.880 2.413 -2.827 359 HD23 LEU 43 2HD2 LEU 43 -7.585 2.391 -4.563 360 H GLY 44 H GLY 44 -4.014 0.333 -7.503 361 HA2 GLY 44 2HA GLY 44 -1.502 1.611 -7.770 362 HA3 GLY 44 1HA GLY 44 -2.095 0.277 -8.752 363 H ASN 45 H ASN 45 -4.200 1.329 -10.085 364 HA ASN 45 HA ASN 45 -2.963 2.880 -12.157 365 HB2 ASN 45 2HB ASN 45 -5.921 2.254 -11.784 366 HB3 ASN 45 1HB ASN 45 -5.151 2.775 -13.278 367 HD21 ASN 45 1HD2 ASN 45 -3.958 1.272 -14.474 368 HD22 ASN 45 2HD2 ASN 45 -3.986 -0.418 -14.120 369 H ILE 46 H ILE 46 -4.867 3.624 -9.344 370 HA ILE 46 HA ILE 46 -5.648 6.310 -10.000 371 HB ILE 46 HB ILE 46 -5.383 4.937 -7.272 372 HG12 ILE 46 2HG1 ILE 46 -7.837 5.205 -9.071 373 HG13 ILE 46 1HG1 ILE 46 -6.949 3.717 -8.762 374 HG21 ILE 46 1HG2 ILE 46 -6.937 7.449 -7.993 375 HG22 ILE 46 2HG2 ILE 46 -5.460 7.386 -7.029 376 HG23 ILE 46 3HG2 ILE 46 -6.941 6.651 -6.418 377 HD11 ILE 46 3HD1 ILE 46 -9.000 3.758 -7.505 378 HD12 ILE 46 1HD1 ILE 46 -8.564 5.290 -6.752 379 HD13 ILE 46 2HD1 ILE 46 -7.633 3.831 -6.393 380 H LYS 47 H LYS 47 -4.621 8.254 -9.366 381 HA LYS 47 HA LYS 47 -1.770 8.216 -9.172 382 HB2 LYS 47 2HB LYS 47 -3.636 10.586 -8.745 383 HB3 LYS 47 1HB LYS 47 -1.903 10.666 -9.074 384 HG2 LYS 47 2HG LYS 47 -4.071 9.677 -10.959 385 HG3 LYS 47 1HG LYS 47 -3.185 11.204 -11.080 386 HD2 LYS 47 2HD LYS 47 -1.083 9.932 -11.512 387 HD3 LYS 47 1HD LYS 47 -1.968 8.408 -11.356 388 HE2 LYS 47 2HE LYS 47 -3.327 9.004 -13.335 389 HE3 LYS 47 1HE LYS 47 -2.446 10.527 -13.484 390 HZ1 LYS 47 3HZ LYS 47 -1.591 8.849 -14.976 391 HZ2 LYS 47 1HZ LYS 47 -1.261 7.825 -13.678 392 HZ3 LYS 47 2HZ LYS 47 -0.421 9.277 -13.835 393 H LEU 48 H LEU 48 -0.444 8.878 -7.488 394 HA LEU 48 HA LEU 48 -0.948 7.968 -4.909 395 HB2 LEU 48 2HB LEU 48 1.299 8.187 -5.817 396 HB3 LEU 48 1HB LEU 48 1.121 9.928 -5.962 397 HG LEU 48 HG LEU 48 1.172 10.184 -3.510 398 HD11 LEU 48 1HD1 LEU 48 1.502 7.179 -3.342 399 HD12 LEU 48 2HD1 LEU 48 0.089 8.102 -2.819 400 HD13 LEU 48 3HD1 LEU 48 1.635 8.320 -2.002 401 HD21 LEU 48 3HD2 LEU 48 3.470 8.478 -4.500 402 HD22 LEU 48 1HD2 LEU 48 3.494 9.550 -3.095 403 HD23 LEU 48 2HD2 LEU 48 3.304 10.225 -4.714 404 H ALA 49 H ALA 49 -1.193 11.261 -6.201 405 HA ALA 49 HA ALA 49 -1.779 12.621 -3.771 406 HB1 ALA 49 3HB ALA 49 -2.433 13.413 -6.627 407 HB2 ALA 49 1HB ALA 49 -0.933 13.773 -5.768 408 HB3 ALA 49 2HB ALA 49 -2.453 14.491 -5.226 409 H LYS 50 H LYS 50 -3.733 10.751 -5.975 410 HA LYS 50 HA LYS 50 -6.296 11.810 -5.055 411 HB2 LYS 50 2HB LYS 50 -5.667 9.565 -7.015 412 HB3 LYS 50 1HB LYS 50 -7.280 10.199 -6.681 413 HG2 LYS 50 2HG LYS 50 -4.964 11.703 -7.945 414 HG3 LYS 50 1HG LYS 50 -6.422 11.120 -8.764 415 HD2 LYS 50 2HD LYS 50 -7.810 12.689 -7.500 416 HD3 LYS 50 1HD LYS 50 -6.427 13.179 -6.515 417 HE2 LYS 50 2HE LYS 50 -5.344 14.055 -8.619 418 HE3 LYS 50 1HE LYS 50 -6.855 13.708 -9.470 419 HZ1 LYS 50 3HZ LYS 50 -6.554 15.515 -7.145 420 HZ2 LYS 50 1HZ LYS 50 -7.998 15.191 -7.967 421 HZ3 LYS 50 2HZ LYS 50 -6.740 15.992 -8.755 422 H LEU 51 H LEU 51 -4.146 9.519 -3.848 423 HA LEU 51 HA LEU 51 -6.001 7.633 -2.763 424 HB2 LEU 51 2HB LEU 51 -3.120 8.275 -2.291 425 HB3 LEU 51 1HB LEU 51 -3.958 7.551 -0.932 426 HG LEU 51 HG LEU 51 -4.631 5.638 -2.417 427 HD11 LEU 51 1HD1 LEU 51 -3.460 5.290 -4.553 428 HD12 LEU 51 2HD1 LEU 51 -2.744 6.895 -4.427 429 HD13 LEU 51 3HD1 LEU 51 -4.490 6.722 -4.603 430 HD21 LEU 51 3HD2 LEU 51 -2.449 4.539 -2.336 431 HD22 LEU 51 1HD2 LEU 51 -2.734 5.479 -0.872 432 HD23 LEU 51 2HD2 LEU 51 -1.654 6.098 -2.123 433 H THR 52 H THR 52 -7.725 8.734 -1.937 434 HA THR 52 HA THR 52 -7.402 10.561 0.322 435 HB THR 52 HB THR 52 -9.087 11.084 -1.434 436 HG1 THR 52 HG1 THR 52 -9.546 11.904 0.582 437 HG21 THR 52 3HG2 THR 52 -10.548 8.586 -0.489 438 HG22 THR 52 1HG2 THR 52 -9.751 8.786 -2.059 439 HG23 THR 52 2HG2 THR 52 -11.160 9.772 -1.651 440 H SER 53 H SER 53 -8.995 10.126 2.185 441 HA SER 53 HA SER 53 -8.226 7.852 3.639 442 HB2 SER 53 2HB SER 53 -10.587 9.724 4.150 443 HB3 SER 53 1HB SER 53 -9.827 8.663 5.341 444 HG SER 53 HG SER 53 -8.392 10.144 5.650 445 H LEU 54 H LEU 54 -11.093 8.511 1.682 446 HA LEU 54 HA LEU 54 -12.718 6.331 2.365 447 HB2 LEU 54 2HB LEU 54 -13.500 8.252 1.010 448 HB3 LEU 54 1HB LEU 54 -12.463 7.744 -0.315 449 HG LEU 54 HG LEU 54 -13.803 5.639 -0.525 450 HD11 LEU 54 1HD1 LEU 54 -14.647 5.433 1.755 451 HD12 LEU 54 2HD1 LEU 54 -15.964 5.405 0.586 452 HD13 LEU 54 3HD1 LEU 54 -15.659 6.865 1.534 453 HD21 LEU 54 3HD2 LEU 54 -14.328 7.519 -1.980 454 HD22 LEU 54 1HD2 LEU 54 -15.441 8.178 -0.778 455 HD23 LEU 54 2HD2 LEU 54 -15.791 6.632 -1.563 456 H HIS 55 H HIS 55 -10.041 6.580 0.074 457 HA HIS 55 HA HIS 55 -10.367 4.090 -1.252 458 HB2 HIS 55 2HB HIS 55 -7.973 5.932 -0.943 459 HB3 HIS 55 1HB HIS 55 -7.867 4.428 -1.848 460 HD1 HIS 55 HD1 HIS 55 -7.233 6.516 -3.626 461 HD2 HIS 55 HD2 HIS 55 -11.227 5.820 -2.712 462 HE1 HIS 55 HE1 HIS 55 -8.540 7.511 -5.517 463 HE2 HIS 55 HE2 HIS 55 -10.933 6.899 -5.043 464 H MET 56 H MET 56 -8.822 4.959 1.741 465 HA MET 56 HA MET 56 -7.364 2.531 2.175 466 HB2 MET 56 2HB MET 56 -8.305 4.687 4.087 467 HB3 MET 56 1HB MET 56 -7.186 3.401 4.515 468 HG2 MET 56 2HG MET 56 -6.645 5.464 2.378 469 HG3 MET 56 1HG MET 56 -6.135 5.615 4.054 470 HE1 MET 56 3HE MET 56 -5.859 3.189 0.902 471 HE2 MET 56 1HE MET 56 -4.101 3.150 0.794 472 HE3 MET 56 2HE MET 56 -4.960 4.678 0.619 473 H GLN 57 H GLN 57 -10.469 3.826 3.333 474 HA GLN 57 HA GLN 57 -11.234 1.673 4.978 475 HB2 GLN 57 2HB GLN 57 -12.323 3.877 5.106 476 HB3 GLN 57 1HB GLN 57 -12.956 3.690 3.473 477 HG2 GLN 57 2HG GLN 57 -14.703 3.302 5.133 478 HG3 GLN 57 1HG GLN 57 -14.383 1.838 4.219 479 HE21 GLN 57 1HE2 GLN 57 -13.460 0.053 5.273 480 HE22 GLN 57 2HE2 GLN 57 -13.377 -0.063 6.993 481 H ASN 58 H ASN 58 -11.956 2.388 1.563 482 HA ASN 58 HA ASN 58 -13.599 0.201 0.928 483 HB2 ASN 58 2HB ASN 58 -11.714 1.768 -0.876 484 HB3 ASN 58 1HB ASN 58 -12.930 0.638 -1.465 485 HD21 ASN 58 1HD2 ASN 58 -12.681 3.396 -2.100 486 HD22 ASN 58 2HD2 ASN 58 -14.149 4.164 -1.609 487 H TYR 59 H TYR 59 -10.099 0.543 1.011 488 HA TYR 59 HA TYR 59 -9.419 -1.885 -0.289 489 HB2 TYR 59 2HB TYR 59 -7.826 0.018 0.024 490 HB3 TYR 59 1HB TYR 59 -7.805 -0.289 1.757 491 HD1 TYR 59 HD2 TYR 59 -6.968 -1.832 -1.558 492 HD2 TYR 59 HD1 TYR 59 -6.272 -1.912 2.668 493 HE1 TYR 59 HE2 TYR 59 -5.133 -3.436 -1.885 494 HE2 TYR 59 HE1 TYR 59 -4.452 -3.526 2.338 495 HH TYR 59 HH TYR 59 -3.131 -4.216 -0.706 496 H VAL 60 H VAL 60 -9.710 -1.015 3.183 497 HA VAL 60 HA VAL 60 -9.069 -3.571 4.253 498 HB VAL 60 HB VAL 60 -10.680 -1.312 5.517 499 HG11 VAL 60 1HG1 VAL 60 -10.033 -2.325 7.711 500 HG12 VAL 60 2HG1 VAL 60 -9.318 -3.696 6.859 501 HG13 VAL 60 3HG1 VAL 60 -11.057 -3.409 6.767 502 HG21 VAL 60 3HG2 VAL 60 -7.708 -1.945 5.705 503 HG22 VAL 60 1HG2 VAL 60 -8.539 -0.663 6.593 504 HG23 VAL 60 2HG2 VAL 60 -8.429 -0.590 4.832 505 H ASN 61 H ASN 61 -12.125 -2.112 3.254 506 HA ASN 61 HA ASN 61 -13.936 -4.089 4.152 507 HB2 ASN 61 2HB ASN 61 -14.143 -2.299 1.688 508 HB3 ASN 61 1HB ASN 61 -15.475 -3.220 2.379 509 HD21 ASN 61 1HD2 ASN 61 -15.174 -0.350 1.931 510 HD22 ASN 61 2HD2 ASN 61 -15.429 0.392 3.468 511 H SER 62 H SER 62 -12.166 -3.654 1.107 512 HA SER 62 HA SER 62 -13.137 -5.791 -0.399 513 HB2 SER 62 2HB SER 62 -11.745 -3.984 -1.378 514 HB3 SER 62 1HB SER 62 -10.345 -4.540 -0.463 515 HG SER 62 HG SER 62 -11.506 -6.513 -1.984 516 H LEU 63 H LEU 63 -10.465 -5.649 1.935 517 HA LEU 63 HA LEU 63 -9.294 -8.177 1.474 518 HB2 LEU 63 2HB LEU 63 -9.337 -6.716 4.145 519 HB3 LEU 63 1HB LEU 63 -8.141 -7.885 3.592 520 HG LEU 63 HG LEU 63 -8.560 -5.064 2.560 521 HD11 LEU 63 1HD1 LEU 63 -7.394 -5.150 4.675 522 HD12 LEU 63 2HD1 LEU 63 -6.317 -4.626 3.385 523 HD13 LEU 63 3HD1 LEU 63 -6.205 -6.275 4.008 524 HD21 LEU 63 3HD2 LEU 63 -8.024 -6.442 0.634 525 HD22 LEU 63 1HD2 LEU 63 -6.636 -7.140 1.473 526 HD23 LEU 63 2HD2 LEU 63 -6.645 -5.428 1.043 527 H ARG 64 H ARG 64 -11.983 -7.185 3.514 528 HA ARG 64 HA ARG 64 -12.282 -9.702 4.868 529 HB2 ARG 64 2HB ARG 64 -12.986 -7.513 5.862 530 HB3 ARG 64 1HB ARG 64 -14.288 -7.425 4.680 531 HG2 ARG 64 2HG ARG 64 -15.329 -9.433 5.609 532 HG3 ARG 64 1HG ARG 64 -13.957 -9.674 6.691 533 HD2 ARG 64 2HD ARG 64 -14.517 -7.510 7.813 534 HD3 ARG 64 1HD ARG 64 -15.960 -7.396 6.794 535 HE ARG 64 HE ARG 64 -16.398 -9.761 7.860 536 HH11 ARG 64 1HH1 ARG 64 -15.244 -6.893 9.524 537 HH12 ARG 64 2HH1 ARG 64 -15.894 -7.389 11.052 538 HH21 ARG 64 1HH2 ARG 64 -17.198 -10.403 9.834 539 HH22 ARG 64 2HH2 ARG 64 -16.986 -9.399 11.233 540 H ASP 65 H ASP 65 -13.731 -8.190 1.978 541 HA ASP 65 HA ASP 65 -15.651 -10.262 1.472 542 HB2 ASP 65 2HB ASP 65 -14.368 -8.297 -0.470 543 HB3 ASP 65 1HB ASP 65 -15.746 -9.326 -0.849 544 H GLU 66 H GLU 66 -12.258 -9.835 0.744 545 HA GLU 66 HA GLU 66 -11.978 -12.104 -1.014 546 HB2 GLU 66 2HB GLU 66 -9.895 -10.472 0.506 547 HB3 GLU 66 1HB GLU 66 -9.514 -11.709 -0.695 548 HG2 GLU 66 2HG GLU 66 -10.972 -9.087 -1.183 549 HG3 GLU 66 1HG GLU 66 -9.324 -9.478 -1.665 550 H GLY 67 H GLY 67 -12.255 -11.671 2.350 551 HA2 GLY 67 2HA GLY 67 -12.245 -13.101 4.121 552 HA3 GLY 67 1HA GLY 67 -12.089 -14.431 2.982 553 H LEU 68 H LEU 68 -9.811 -11.775 3.168 554 HA LEU 68 HA LEU 68 -7.553 -13.443 3.508 555 HB2 LEU 68 2HB LEU 68 -7.798 -10.429 3.854 556 HB3 LEU 68 1HB LEU 68 -6.277 -11.314 3.814 557 HG LEU 68 HG LEU 68 -8.246 -10.987 1.511 558 HD11 LEU 68 1HD1 LEU 68 -6.899 -8.998 1.944 559 HD12 LEU 68 2HD1 LEU 68 -6.425 -9.754 0.424 560 HD13 LEU 68 3HD1 LEU 68 -5.413 -9.955 1.860 561 HD21 LEU 68 3HD2 LEU 68 -7.296 -13.243 1.426 562 HD22 LEU 68 1HD2 LEU 68 -5.662 -12.588 1.565 563 HD23 LEU 68 2HD2 LEU 68 -6.636 -12.252 0.134 564 H LYS 69 H LYS 69 -6.302 -13.871 5.230 565 HA LYS 69 HA LYS 69 -7.447 -13.652 7.883 566 HB2 LYS 69 2HB LYS 69 -5.377 -14.991 8.547 567 HB3 LYS 69 1HB LYS 69 -6.479 -15.763 7.413 568 HG2 LYS 69 2HG LYS 69 -4.945 -15.034 5.551 569 HG3 LYS 69 1HG LYS 69 -3.792 -14.498 6.779 570 HD2 LYS 69 2HD LYS 69 -3.370 -16.696 7.518 571 HD3 LYS 69 1HD LYS 69 -4.864 -17.333 6.831 572 HE2 LYS 69 2HE LYS 69 -2.926 -18.120 5.561 573 HE3 LYS 69 1HE LYS 69 -3.939 -17.078 4.563 574 HZ1 LYS 69 3HZ LYS 69 -2.392 -15.277 4.977 575 HZ2 LYS 69 1HZ LYS 69 -1.614 -16.585 4.248 576 HZ3 LYS 69 2HZ LYS 69 -1.411 -16.287 5.901 577 H ARG 70 H ARG 70 -6.371 -12.712 9.689 578 HA ARG 70 HA ARG 70 -5.821 -10.014 9.341 579 HB2 ARG 70 2HB ARG 70 -5.253 -9.913 11.730 580 HB3 ARG 70 1HB ARG 70 -6.624 -10.997 11.482 581 HG2 ARG 70 2HG ARG 70 -5.154 -12.955 11.690 582 HG3 ARG 70 1HG ARG 70 -3.744 -11.909 11.849 583 HD2 ARG 70 2HD ARG 70 -4.751 -10.974 13.951 584 HD3 ARG 70 1HD ARG 70 -6.046 -12.171 13.816 585 HE ARG 70 HE ARG 70 -3.832 -13.714 13.732 586 HH11 ARG 70 1HH1 ARG 70 -4.848 -11.246 16.032 587 HH12 ARG 70 2HH1 ARG 70 -3.916 -11.923 17.327 588 HH21 ARG 70 1HH2 ARG 70 -2.649 -14.563 15.393 589 HH22 ARG 70 2HH2 ARG 70 -2.668 -13.823 16.957 590 H GLY 71 H GLY 71 -3.513 -12.670 9.529 591 HA2 GLY 71 2HA GLY 71 -1.108 -11.234 9.729 592 HA3 GLY 71 1HA GLY 71 -1.294 -12.829 9.011 593 H THR 72 H THR 72 -2.780 -12.445 6.812 594 HA THR 72 HA THR 72 -1.019 -11.394 4.881 595 HB THR 72 HB THR 72 -4.002 -11.989 4.605 596 HG1 THR 72 HG1 THR 72 -1.758 -13.576 4.801 597 HG21 THR 72 3HG2 THR 72 -1.849 -11.824 2.443 598 HG22 THR 72 1HG2 THR 72 -3.159 -10.654 2.683 599 HG23 THR 72 2HG2 THR 72 -3.529 -12.310 2.198 600 H ILE 73 H ILE 73 -3.973 -10.114 6.365 601 HA ILE 73 HA ILE 73 -4.196 -7.681 4.993 602 HB ILE 73 HB ILE 73 -5.086 -8.396 7.820 603 HG12 ILE 73 2HG1 ILE 73 -6.637 -8.338 5.189 604 HG13 ILE 73 1HG1 ILE 73 -6.108 -9.794 6.032 605 HG21 ILE 73 1HG2 ILE 73 -5.878 -5.985 6.146 606 HG22 ILE 73 2HG2 ILE 73 -4.946 -5.958 7.641 607 HG23 ILE 73 3HG2 ILE 73 -6.635 -6.454 7.667 608 HD11 ILE 73 3HD1 ILE 73 -8.472 -9.380 6.366 609 HD12 ILE 73 1HD1 ILE 73 -8.134 -7.783 7.029 610 HD13 ILE 73 2HD1 ILE 73 -7.612 -9.230 7.894 611 H GLU 74 H GLU 74 -2.446 -8.531 7.968 612 HA GLU 74 HA GLU 74 -1.610 -6.007 8.814 613 HB2 GLU 74 2HB GLU 74 -1.360 -8.014 10.213 614 HB3 GLU 74 1HB GLU 74 -0.195 -8.698 9.084 615 HG2 GLU 74 2HG GLU 74 1.375 -6.821 9.631 616 HG3 GLU 74 1HG GLU 74 0.202 -6.221 10.800 617 H LYS 75 H LYS 75 -0.076 -8.292 6.572 618 HA LYS 75 HA LYS 75 2.408 -6.954 6.288 619 HB2 LYS 75 2HB LYS 75 1.058 -8.910 4.369 620 HB3 LYS 75 1HB LYS 75 2.772 -8.481 4.366 621 HG2 LYS 75 2HG LYS 75 3.052 -9.497 6.587 622 HG3 LYS 75 1HG LYS 75 1.328 -9.863 6.651 623 HD2 LYS 75 2HD LYS 75 1.658 -11.314 4.590 624 HD3 LYS 75 1HD LYS 75 3.399 -11.067 4.777 625 HE2 LYS 75 2HE LYS 75 1.526 -12.407 6.769 626 HE3 LYS 75 1HE LYS 75 2.762 -13.196 5.787 627 HZ1 LYS 75 3HZ LYS 75 3.548 -12.878 8.026 628 HZ2 LYS 75 1HZ LYS 75 3.242 -11.216 7.956 629 HZ3 LYS 75 2HZ LYS 75 4.443 -11.899 6.987 630 H ILE 76 H ILE 76 -0.566 -6.912 4.329 631 HA ILE 76 HA ILE 76 0.555 -5.245 2.256 632 HB ILE 76 HB ILE 76 -1.709 -5.253 1.259 633 HG12 ILE 76 2HG1 ILE 76 -2.514 -6.636 3.854 634 HG13 ILE 76 1HG1 ILE 76 -3.186 -5.156 3.179 635 HG21 ILE 76 1HG2 ILE 76 -0.860 -8.012 2.209 636 HG22 ILE 76 2HG2 ILE 76 -0.183 -7.138 0.834 637 HG23 ILE 76 3HG2 ILE 76 -1.868 -7.655 0.801 638 HD11 ILE 76 3HD1 ILE 76 -3.539 -7.957 2.115 639 HD12 ILE 76 1HD1 ILE 76 -4.167 -6.497 1.338 640 HD13 ILE 76 2HD1 ILE 76 -4.737 -6.966 2.940 641 H ILE 77 H ILE 77 -1.372 -4.657 5.157 642 HA ILE 77 HA ILE 77 -1.921 -1.903 4.625 643 HB ILE 77 HB ILE 77 -1.818 -3.434 7.262 644 HG12 ILE 77 2HG1 ILE 77 -3.646 -4.221 5.871 645 HG13 ILE 77 1HG1 ILE 77 -4.343 -3.236 7.146 646 HG21 ILE 77 1HG2 ILE 77 -3.029 -1.534 8.311 647 HG22 ILE 77 2HG2 ILE 77 -2.821 -0.593 6.833 648 HG23 ILE 77 3HG2 ILE 77 -1.410 -1.074 7.778 649 HD11 ILE 77 3HD1 ILE 77 -5.457 -2.801 5.077 650 HD12 ILE 77 1HD1 ILE 77 -3.930 -2.445 4.264 651 HD13 ILE 77 2HD1 ILE 77 -4.529 -1.373 5.532 652 H LYS 78 H LYS 78 0.752 -3.615 6.291 653 HA LYS 78 HA LYS 78 2.231 -1.368 7.156 654 HB2 LYS 78 2HB LYS 78 3.262 -4.106 6.311 655 HB3 LYS 78 1HB LYS 78 4.251 -2.884 7.098 656 HG2 LYS 78 2HG LYS 78 1.835 -4.262 8.303 657 HG3 LYS 78 1HG LYS 78 3.525 -4.625 8.661 658 HD2 LYS 78 2HD LYS 78 3.796 -2.365 9.640 659 HD3 LYS 78 1HD LYS 78 2.110 -1.985 9.249 660 HE2 LYS 78 2HE LYS 78 1.353 -3.782 10.771 661 HE3 LYS 78 1HE LYS 78 3.034 -4.194 11.134 662 HZ1 LYS 78 3HZ LYS 78 3.335 -2.013 12.071 663 HZ2 LYS 78 1HZ LYS 78 2.044 -2.802 12.827 664 HZ3 LYS 78 2HZ LYS 78 1.743 -1.592 11.687 665 H VAL 79 H VAL 79 2.123 -3.044 4.049 666 HA VAL 79 HA VAL 79 4.268 -1.795 2.717 667 HB VAL 79 HB VAL 79 1.666 -2.965 1.620 668 HG11 VAL 79 1HG1 VAL 79 2.774 -2.973 -0.617 669 HG12 VAL 79 2HG1 VAL 79 4.110 -2.039 0.055 670 HG13 VAL 79 3HG1 VAL 79 2.494 -1.337 -0.017 671 HG21 VAL 79 3HG2 VAL 79 4.500 -4.085 1.664 672 HG22 VAL 79 1HG2 VAL 79 3.090 -4.880 0.953 673 HG23 VAL 79 2HG2 VAL 79 3.169 -4.610 2.692 674 H ILE 80 H ILE 80 0.769 -0.977 2.652 675 HA ILE 80 HA ILE 80 1.048 1.278 0.953 676 HB ILE 80 HB ILE 80 -1.227 0.608 2.875 677 HG12 ILE 80 2HG1 ILE 80 -0.895 0.058 -0.115 678 HG13 ILE 80 1HG1 ILE 80 -0.884 -1.148 1.170 679 HG21 ILE 80 1HG2 ILE 80 -2.629 2.147 1.514 680 HG22 ILE 80 2HG2 ILE 80 -1.211 2.613 0.577 681 HG23 ILE 80 3HG2 ILE 80 -1.300 3.011 2.295 682 HD11 ILE 80 3HD1 ILE 80 -3.244 -0.644 1.642 683 HD12 ILE 80 1HD1 ILE 80 -2.991 -1.160 -0.022 684 HD13 ILE 80 2HD1 ILE 80 -3.251 0.544 0.337 685 H ARG 81 H ARG 81 0.750 0.992 4.490 686 HA ARG 81 HA ARG 81 0.737 3.692 5.202 687 HB2 ARG 81 2HB ARG 81 1.893 1.315 6.729 688 HB3 ARG 81 1HB ARG 81 1.727 2.935 7.416 689 HG2 ARG 81 2HG ARG 81 -0.741 2.796 6.999 690 HG3 ARG 81 1HG ARG 81 -0.520 1.123 6.478 691 HD2 ARG 81 2HD ARG 81 -1.270 1.167 8.783 692 HD3 ARG 81 1HD ARG 81 0.396 0.589 8.734 693 HE ARG 81 HE ARG 81 1.055 2.919 9.359 694 HH11 ARG 81 1HH1 ARG 81 -2.164 1.797 10.226 695 HH12 ARG 81 2HH1 ARG 81 -2.274 2.850 11.598 696 HH21 ARG 81 1HH2 ARG 81 0.894 4.272 11.145 697 HH22 ARG 81 2HH2 ARG 81 -0.537 4.259 12.125 698 H ASN 82 H ASN 82 3.527 1.487 4.778 699 HA ASN 82 HA ASN 82 5.512 3.395 5.529 700 HB2 ASN 82 2HB ASN 82 5.842 0.904 5.632 701 HB3 ASN 82 1HB ASN 82 5.896 0.867 3.871 702 HD21 ASN 82 1HD2 ASN 82 7.625 1.674 6.765 703 HD22 ASN 82 2HD2 ASN 82 9.132 2.042 6.008 704 H SER 83 H SER 83 4.111 2.445 2.421 705 HA SER 83 HA SER 83 5.881 3.815 0.690 706 HB2 SER 83 2HB SER 83 2.922 3.179 0.305 707 HB3 SER 83 1HB SER 83 4.023 3.700 -0.974 708 HG SER 83 HG SER 83 4.662 1.453 0.585 709 H LEU 84 H LEU 84 2.849 4.786 2.275 710 HA LEU 84 HA LEU 84 2.791 7.446 1.218 711 HB2 LEU 84 2HB LEU 84 1.264 6.240 3.549 712 HB3 LEU 84 1HB LEU 84 0.914 7.796 2.802 713 HG LEU 84 HG LEU 84 0.590 5.043 1.533 714 HD11 LEU 84 1HD1 LEU 84 -1.169 5.636 3.106 715 HD12 LEU 84 2HD1 LEU 84 -1.782 5.577 1.459 716 HD13 LEU 84 3HD1 LEU 84 -1.479 7.137 2.233 717 HD21 LEU 84 3HD2 LEU 84 0.160 7.748 0.220 718 HD22 LEU 84 1HD2 LEU 84 -0.279 6.182 -0.471 719 HD23 LEU 84 2HD2 LEU 84 1.412 6.569 -0.181 720 H GLU 85 H GLU 85 4.203 6.001 4.120 721 HA GLU 85 HA GLU 85 4.841 8.327 5.610 722 HB2 GLU 85 2HB GLU 85 6.287 5.652 5.308 723 HB3 GLU 85 1HB GLU 85 6.851 6.899 6.411 724 HG2 GLU 85 2HG GLU 85 4.117 5.608 6.565 725 HG3 GLU 85 1HG GLU 85 5.524 5.061 7.476 726 H HIS 86 H HIS 86 6.562 6.590 3.027 727 HA HIS 86 HA HIS 86 8.796 8.401 2.918 728 HB2 HIS 86 2HB HIS 86 9.026 6.001 2.325 729 HB3 HIS 86 1HB HIS 86 7.922 6.220 0.968 730 HD1 HIS 86 HD1 HIS 86 11.168 7.892 2.116 731 HD2 HIS 86 HD2 HIS 86 9.329 6.494 -1.334 732 HE1 HIS 86 HE1 HIS 86 12.769 8.401 0.255 733 HE2 HIS 86 HE2 HIS 86 11.678 7.450 -1.804 734 H ALA 87 H ALA 87 5.655 8.233 1.401 735 HA ALA 87 HA ALA 87 6.194 10.010 -0.778 736 HB1 ALA 87 3HB ALA 87 4.298 8.442 -0.821 737 HB2 ALA 87 1HB ALA 87 3.752 10.110 -1.041 738 HB3 ALA 87 2HB ALA 87 3.536 9.307 0.519 739 H ILE 88 H ILE 88 5.060 10.509 2.590 740 HA ILE 88 HA ILE 88 4.705 13.354 2.397 741 HB ILE 88 HB ILE 88 5.423 11.752 4.901 742 HG12 ILE 88 2HG1 ILE 88 2.659 12.582 3.893 743 HG13 ILE 88 1HG1 ILE 88 3.301 10.941 3.877 744 HG21 ILE 88 1HG2 ILE 88 4.210 14.544 4.660 745 HG22 ILE 88 2HG2 ILE 88 5.850 14.173 5.199 746 HG23 ILE 88 3HG2 ILE 88 4.468 13.672 6.174 747 HD11 ILE 88 3HD1 ILE 88 1.741 11.305 5.715 748 HD12 ILE 88 1HD1 ILE 88 2.763 12.586 6.358 749 HD13 ILE 88 2HD1 ILE 88 3.350 10.921 6.314 750 H ASP 89 H ASP 89 7.388 11.252 3.204 751 HA ASP 89 HA ASP 89 9.363 13.101 3.913 752 HB2 ASP 89 2HB ASP 89 9.679 10.747 4.338 753 HB3 ASP 89 1HB ASP 89 9.519 10.346 2.631 754 H LEU 90 H LEU 90 8.406 11.867 0.714 755 HA LEU 90 HA LEU 90 10.266 13.569 -0.746 756 HB2 LEU 90 2HB LEU 90 8.020 11.782 -1.754 757 HB3 LEU 90 1HB LEU 90 9.209 12.585 -2.769 758 HG LEU 90 HG LEU 90 9.763 10.353 -0.774 759 HD11 LEU 90 1HD1 LEU 90 8.652 9.575 -2.805 760 HD12 LEU 90 2HD1 LEU 90 10.321 9.015 -2.753 761 HD13 LEU 90 3HD1 LEU 90 9.878 10.361 -3.807 762 HD21 LEU 90 3HD2 LEU 90 11.734 11.835 -2.554 763 HD22 LEU 90 1HD2 LEU 90 12.095 10.403 -1.586 764 HD23 LEU 90 2HD2 LEU 90 11.653 11.911 -0.793 765 H GLU 91 H GLU 91 7.367 14.102 0.746 766 HA GLU 91 HA GLU 91 5.917 15.797 0.892 767 HB2 GLU 91 2HB GLU 91 7.804 17.231 -1.031 768 HB3 GLU 91 1HB GLU 91 6.500 18.017 -0.139 769 HG2 GLU 91 2HG GLU 91 7.594 17.426 1.993 770 HG3 GLU 91 1HG GLU 91 8.888 16.610 1.115 771 H LEU 92 H LEU 92 5.825 13.766 -1.401 772 HA LEU 92 HA LEU 92 4.367 14.840 -3.599 773 HB2 LEU 92 2HB LEU 92 4.483 12.030 -2.421 774 HB3 LEU 92 1HB LEU 92 3.771 12.417 -3.986 775 HG LEU 92 HG LEU 92 6.709 12.898 -3.307 776 HD11 LEU 92 1HD1 LEU 92 6.236 10.483 -3.264 777 HD12 LEU 92 2HD1 LEU 92 7.233 10.916 -4.648 778 HD13 LEU 92 3HD1 LEU 92 5.514 10.582 -4.873 779 HD21 LEU 92 3HD2 LEU 92 6.971 13.185 -5.745 780 HD22 LEU 92 1HD2 LEU 92 5.849 14.368 -5.072 781 HD23 LEU 92 2HD2 LEU 92 5.228 12.972 -5.963 782 H ILE 93 H ILE 93 3.475 13.412 -0.513 783 HA ILE 93 HA ILE 93 0.777 14.617 -0.669 784 HB ILE 93 HB ILE 93 -0.215 12.774 0.616 785 HG12 ILE 93 2HG1 ILE 93 2.473 11.333 0.433 786 HG13 ILE 93 1HG1 ILE 93 1.869 12.113 1.883 787 HG21 ILE 93 1HG2 ILE 93 -0.196 10.957 -1.070 788 HG22 ILE 93 2HG2 ILE 93 1.231 11.666 -1.826 789 HG23 ILE 93 3HG2 ILE 93 -0.298 12.546 -1.838 790 HD11 ILE 93 3HD1 ILE 93 0.004 10.533 1.961 791 HD12 ILE 93 1HD1 ILE 93 1.568 9.715 1.963 792 HD13 ILE 93 2HD1 ILE 93 0.605 9.763 0.488 793 H THR 94 H THR 94 0.010 15.281 1.480 794 HA THR 94 HA THR 94 2.203 15.920 3.363 795 HB THR 94 HB THR 94 0.536 17.591 4.311 796 HG1 THR 94 HG1 THR 94 -1.447 17.032 3.697 797 HG21 THR 94 3HG2 THR 94 1.145 17.915 1.354 798 HG22 THR 94 1HG2 THR 94 2.246 18.310 2.678 799 HG23 THR 94 2HG2 THR 94 0.746 19.216 2.475 800 H LYS 95 H LYS 95 -0.870 14.254 3.082 801 HA LYS 95 HA LYS 95 -0.818 13.451 5.925 802 HB2 LYS 95 2HB LYS 95 -2.793 14.789 5.412 803 HB3 LYS 95 1HB LYS 95 -3.151 13.814 3.997 804 HG2 LYS 95 2HG LYS 95 -3.652 11.872 5.449 805 HG3 LYS 95 1HG LYS 95 -3.266 12.841 6.871 806 HD2 LYS 95 2HD LYS 95 -5.678 12.701 6.617 807 HD3 LYS 95 1HD LYS 95 -5.167 14.362 6.334 808 HE2 LYS 95 2HE LYS 95 -5.661 12.421 4.059 809 HE3 LYS 95 1HE LYS 95 -6.958 13.374 4.765 810 HZ1 LYS 95 3HZ LYS 95 -5.803 15.384 4.127 811 HZ2 LYS 95 1HZ LYS 95 -6.042 14.394 2.779 812 HZ3 LYS 95 2HZ LYS 95 -4.520 14.491 3.495 813 H ASN 96 H ASN 96 -0.119 11.426 6.140 814 HA ASN 96 HA ASN 96 -0.343 9.354 4.165 815 HB2 ASN 96 2HB ASN 96 1.415 9.392 5.985 816 HB3 ASN 96 1HB ASN 96 0.160 9.105 7.174 817 HD21 ASN 96 1HD2 ASN 96 2.563 7.566 6.311 818 HD22 ASN 96 2HD2 ASN 96 1.978 5.988 5.935 819 H VAL 97 H VAL 97 -2.448 8.984 3.573 820 HA VAL 97 HA VAL 97 -4.678 9.159 5.328 821 HB VAL 97 HB VAL 97 -6.007 8.197 3.415 822 HG11 VAL 97 1HG1 VAL 97 -5.685 10.117 1.883 823 HG12 VAL 97 2HG1 VAL 97 -4.139 10.484 2.654 824 HG13 VAL 97 3HG1 VAL 97 -5.639 10.632 3.572 825 HG21 VAL 97 3HG2 VAL 97 -4.922 7.769 1.237 826 HG22 VAL 97 1HG2 VAL 97 -4.276 6.680 2.465 827 HG23 VAL 97 2HG2 VAL 97 -3.333 8.078 1.943 828 H ALA 98 H ALA 98 -2.381 6.668 4.859 829 HA ALA 98 HA ALA 98 -4.145 4.481 5.712 830 HB1 ALA 98 3HB ALA 98 -1.201 4.415 4.966 831 HB2 ALA 98 1HB ALA 98 -2.547 4.030 3.888 832 HB3 ALA 98 2HB ALA 98 -2.226 3.014 5.295 833 H ALA 99 H ALA 99 -2.400 6.907 7.217 834 HA ALA 99 HA ALA 99 -1.219 5.569 9.434 835 HB1 ALA 99 3HB ALA 99 -1.130 7.792 10.475 836 HB2 ALA 99 1HB ALA 99 -2.234 8.422 9.246 837 HB3 ALA 99 2HB ALA 99 -0.625 7.866 8.786 838 H LYS 100 H LYS 100 -4.482 6.706 8.771 839 HA LYS 100 HA LYS 100 -5.549 6.092 11.401 840 HB2 LYS 100 2HB LYS 100 -6.850 6.828 8.748 841 HB3 LYS 100 1HB LYS 100 -7.780 6.472 10.200 842 HG2 LYS 100 2HG LYS 100 -5.787 8.742 9.884 843 HG3 LYS 100 1HG LYS 100 -7.553 8.884 9.812 844 HD2 LYS 100 2HD LYS 100 -7.539 7.882 12.209 845 HD3 LYS 100 1HD LYS 100 -5.802 8.215 12.208 846 HE2 LYS 100 2HE LYS 100 -8.026 10.257 11.857 847 HE3 LYS 100 1HE LYS 100 -7.049 10.019 13.305 848 HZ1 LYS 100 3HZ LYS 100 -6.022 10.902 10.664 849 HZ2 LYS 100 1HZ LYS 100 -5.106 10.711 12.068 850 HZ3 LYS 100 2HZ LYS 100 -6.297 11.903 11.994 851 H THR 101 H THR 101 -4.812 4.315 8.549 852 HA THR 101 HA THR 101 -6.859 2.298 8.738 853 HB THR 101 HB THR 101 -4.242 2.240 7.154 854 HG1 THR 101 HG1 THR 101 -5.476 3.081 5.490 855 HG21 THR 101 3HG2 THR 101 -5.268 -0.013 7.391 856 HG22 THR 101 1HG2 THR 101 -5.390 0.579 5.733 857 HG23 THR 101 2HG2 THR 101 -6.798 0.628 6.791 858 H LYS 102 H LYS 102 -6.800 1.418 10.739 859 HA LYS 102 HA LYS 102 -4.369 0.165 11.797 860 HB2 LYS 102 2HB LYS 102 -5.718 -0.139 13.867 861 HB3 LYS 102 1HB LYS 102 -5.653 1.545 13.345 862 HG2 LYS 102 2HG LYS 102 -7.953 1.146 12.275 863 HG3 LYS 102 1HG LYS 102 -7.993 -0.387 13.157 864 HD2 LYS 102 2HD LYS 102 -7.747 2.389 14.395 865 HD3 LYS 102 1HD LYS 102 -9.212 1.405 14.359 866 HE2 LYS 102 2HE LYS 102 -6.636 0.591 15.763 867 HE3 LYS 102 1HE LYS 102 -8.013 1.355 16.563 868 HZ1 LYS 102 3HZ LYS 102 -9.380 -0.527 15.933 869 HZ2 LYS 102 1HZ LYS 102 -8.044 -1.035 16.830 870 HZ3 LYS 102 2HZ LYS 102 -8.067 -1.259 15.156 871 H LEU 103 H LEU 103 -4.372 -2.039 12.476 872 HA LEU 103 HA LEU 103 -5.282 -3.834 10.488 873 HB2 LEU 103 2HB LEU 103 -3.178 -4.171 11.681 874 HB3 LEU 103 1HB LEU 103 -4.025 -4.327 13.209 875 HG LEU 103 HG LEU 103 -5.013 -6.471 12.469 876 HD11 LEU 103 1HD1 LEU 103 -5.162 -6.087 10.068 877 HD12 LEU 103 2HD1 LEU 103 -4.293 -7.580 10.400 878 HD13 LEU 103 3HD1 LEU 103 -3.406 -6.131 9.927 879 HD21 LEU 103 3HD2 LEU 103 -1.994 -6.417 12.148 880 HD22 LEU 103 1HD2 LEU 103 -2.973 -7.839 12.517 881 HD23 LEU 103 2HD2 LEU 103 -2.874 -6.517 13.675 882 HA PRO 104 HA PRO 104 -9.411 -4.623 12.396 883 HB2 PRO 104 2HB PRO 104 -10.270 -6.457 10.505 884 HB3 PRO 104 1HB PRO 104 -10.374 -4.703 10.279 885 HG2 PRO 104 2HG PRO 104 -8.266 -6.624 9.286 886 HG3 PRO 104 1HG PRO 104 -9.077 -5.312 8.404 887 HD2 PRO 104 2HD PRO 104 -6.592 -4.998 9.414 888 HD3 PRO 104 1HD PRO 104 -7.749 -3.648 9.417 889 H LYS 105 H LYS 105 -10.125 -6.219 13.762 890 HA LYS 105 HA LYS 105 -8.207 -8.228 14.582 891 HB2 LYS 105 2HB LYS 105 -10.846 -7.277 15.752 892 HB3 LYS 105 1HB LYS 105 -10.005 -8.670 16.408 893 HG2 LYS 105 2HG LYS 105 -9.456 -6.827 17.790 894 HG3 LYS 105 1HG LYS 105 -8.015 -7.183 16.834 895 HD2 LYS 105 2HD LYS 105 -8.472 -5.274 15.375 896 HD3 LYS 105 1HD LYS 105 -10.008 -4.970 16.195 897 HE2 LYS 105 2HE LYS 105 -8.302 -3.407 16.982 898 HE3 LYS 105 1HE LYS 105 -8.796 -4.481 18.292 899 HZ1 LYS 105 3HZ LYS 105 -6.442 -4.212 18.314 900 HZ2 LYS 105 1HZ LYS 105 -6.303 -4.640 16.688 901 HZ3 LYS 105 2HZ LYS 105 -6.772 -5.794 17.828 902 H ALA 106 H ALA 106 -8.234 -10.230 13.858 903 HA ALA 106 HA ALA 106 -10.778 -11.627 13.222 904 HB1 ALA 106 3HB ALA 106 -9.074 -11.713 11.438 905 HB2 ALA 106 1HB ALA 106 -9.329 -13.315 12.128 906 HB3 ALA 106 2HB ALA 106 -7.897 -12.380 12.569 907 H ASP 107 H ASP 107 -9.955 -10.827 15.796 908 HA ASP 107 HA ASP 107 -9.914 -13.159 17.419 909 HB2 ASP 107 2HB ASP 107 -7.693 -12.846 18.437 910 HB3 ASP 107 1HB ASP 107 -7.492 -13.081 16.707 911 H LYS 108 H LYS 108 -8.981 -11.974 19.789 912 HA LYS 108 HA LYS 108 -9.998 -9.273 20.069 913 HB2 LYS 108 2HB LYS 108 -11.688 -9.705 21.743 914 HB3 LYS 108 1HB LYS 108 -12.075 -10.690 20.343 915 HG2 LYS 108 2HG LYS 108 -10.689 -11.752 22.832 916 HG3 LYS 108 1HG LYS 108 -12.434 -11.812 22.563 917 HD2 LYS 108 2HD LYS 108 -12.085 -13.218 20.560 918 HD3 LYS 108 1HD LYS 108 -10.335 -13.143 20.798 919 HE2 LYS 108 2HE LYS 108 -10.584 -14.332 22.948 920 HE3 LYS 108 1HE LYS 108 -12.334 -14.384 22.718 921 HZ1 LYS 108 3HZ LYS 108 -12.033 -15.738 20.777 922 HZ2 LYS 108 1HZ LYS 108 -11.239 -16.451 22.091 923 HZ3 LYS 108 2HZ LYS 108 -10.351 -15.637 20.903 924 H GLU 109 H GLU 109 -9.705 -8.486 22.345 925 HA GLU 109 HA GLU 109 -7.118 -9.250 23.355 926 HB2 GLU 109 2HB GLU 109 -9.172 -7.278 24.455 927 HB3 GLU 109 1HB GLU 109 -7.520 -7.462 25.051 928 HG2 GLU 109 2HG GLU 109 -8.356 -6.507 22.291 929 HG3 GLU 109 1HG GLU 109 -7.684 -5.520 23.585 930 H GLU 110 H GLU 110 -6.885 -11.053 24.505 931 HA GLU 110 HA GLU 110 -9.080 -12.189 26.069 932 HB2 GLU 110 2HB GLU 110 -7.460 -14.157 26.300 933 HB3 GLU 110 1HB GLU 110 -8.010 -13.800 24.677 934 HG2 GLU 110 2HG GLU 110 -5.692 -14.363 24.527 935 HG3 GLU 110 1HG GLU 110 -5.825 -12.631 24.235 936 H LEU 111 H LEU 111 -7.813 -9.744 26.964 937 HA LEU 111 HA LEU 111 -6.136 -10.370 29.259 938 HB2 LEU 111 2HB LEU 111 -7.234 -7.690 28.286 939 HB3 LEU 111 1HB LEU 111 -6.013 -7.913 29.534 940 HG LEU 111 HG LEU 111 -5.673 -8.569 26.573 941 HD11 LEU 111 1HD1 LEU 111 -5.676 -6.163 26.979 942 HD12 LEU 111 2HD1 LEU 111 -4.071 -6.721 26.511 943 HD13 LEU 111 3HD1 LEU 111 -4.414 -6.341 28.206 944 HD21 LEU 111 3HD2 LEU 111 -3.657 -8.841 28.835 945 HD22 LEU 111 1HD2 LEU 111 -3.307 -9.051 27.114 946 HD23 LEU 111 2HD2 LEU 111 -4.408 -10.159 27.929 947 H GLU 112 H GLU 112 -9.441 -9.874 28.440 948 HA GLU 112 HA GLU 112 -10.382 -8.829 30.966 949 HB2 GLU 112 2HB GLU 112 -11.999 -9.944 28.629 950 HB3 GLU 112 1HB GLU 112 -12.577 -8.874 29.905 951 HG2 GLU 112 2HG GLU 112 -10.598 -8.165 27.710 952 HG3 GLU 112 1HG GLU 112 -12.292 -7.683 27.781 953 H HIS 113 H HIS 113 -10.082 -10.346 32.607 954 HA HIS 113 HA HIS 113 -10.844 -11.893 34.064 955 HB2 HIS 113 2HB HIS 113 -12.886 -12.570 31.919 956 HB3 HIS 113 1HB HIS 113 -12.897 -13.269 33.532 957 HD1 HIS 113 HD1 HIS 113 -14.845 -12.258 34.668 958 HD2 HIS 113 HD2 HIS 113 -12.728 -9.410 32.504 959 HE1 HIS 113 HE1 HIS 113 -16.023 -10.079 35.080 960 HE2 HIS 113 HE2 HIS 113 -14.653 -8.358 33.864 961 H HIS 114 H HIS 114 -9.668 -12.899 30.987 962 HA HIS 114 HA HIS 114 -9.569 -15.729 31.436 963 HB2 HIS 114 2HB HIS 114 -9.571 -14.934 29.154 964 HB3 HIS 114 1HB HIS 114 -8.192 -13.886 29.442 965 HD1 HIS 114 HD1 HIS 114 -6.230 -14.788 28.240 966 HD2 HIS 114 HD2 HIS 114 -8.575 -17.853 29.788 967 HE1 HIS 114 HE1 HIS 114 -5.030 -16.914 27.655 968 HE2 HIS 114 HE2 HIS 114 -6.550 -18.750 28.464 969 H HIS 115 H HIS 115 -7.297 -13.033 31.825 970 HA HIS 115 HA HIS 115 -5.146 -14.657 32.844 971 HB2 HIS 115 2HB HIS 115 -5.608 -11.650 32.817 972 HB3 HIS 115 1HB HIS 115 -4.180 -12.383 33.538 973 HD1 HIS 115 HD1 HIS 115 -2.248 -12.597 32.014 974 HD2 HIS 115 HD2 HIS 115 -5.828 -12.353 29.940 975 HE1 HIS 115 HE1 HIS 115 -1.613 -12.511 29.590 976 HE2 HIS 115 HE2 HIS 115 -3.800 -12.461 28.343 977 H HIS 116 H HIS 116 -5.010 -15.464 34.817 978 HA HIS 116 HA HIS 116 -7.010 -15.130 36.795 979 HB2 HIS 116 2HB HIS 116 -5.567 -16.574 38.233 980 HB3 HIS 116 1HB HIS 116 -5.798 -17.247 36.628 981 HD1 HIS 116 HD1 HIS 116 -3.735 -17.788 35.310 982 HD2 HIS 116 HD2 HIS 116 -2.881 -15.520 38.684 983 HE1 HIS 116 HE1 HIS 116 -1.238 -17.800 35.505 984 HE2 HIS 116 HE2 HIS 116 -0.738 -16.272 37.448 985 H HIS 117 H HIS 117 -6.964 -14.106 38.802 986 HA HIS 117 HA HIS 117 -5.378 -11.739 39.133 987 HB2 HIS 117 2HB HIS 117 -6.521 -11.504 41.300 988 HB3 HIS 117 1HB HIS 117 -7.685 -11.939 40.061 989 HD1 HIS 117 HD1 HIS 117 -8.785 -14.294 40.234 990 HD2 HIS 117 HD2 HIS 117 -6.186 -13.400 43.353 991 HE1 HIS 117 HE1 HIS 117 -9.231 -16.024 42.003 992 HE2 HIS 117 HE2 HIS 117 -7.626 -15.489 43.864 993 H HIS 118 H HIS 118 -4.013 -11.359 41.152 994 HA HIS 118 HA HIS 118 -2.190 -13.578 41.627 995 HB2 HIS 118 2HB HIS 118 -1.272 -11.302 41.397 996 HB3 HIS 118 1HB HIS 118 -2.201 -10.755 42.791 997 HD1 HIS 118 HD1 HIS 118 -1.178 -11.117 45.065 998 HD2 HIS 118 HD2 HIS 118 0.851 -13.169 42.075 999 HE1 HIS 118 HE1 HIS 118 0.864 -12.068 46.177 1000 HE2 HIS 118 HE2 HIS 118 2.045 -13.350 44.360 Start of MODEL 6 1 H1 MET 1 1H MET 1 -2.648 21.550 -3.546 2 H2 MET 1 2H MET 1 -1.448 22.340 -4.435 3 H3 MET 1 3H MET 1 -1.267 20.711 -4.034 4 HA MET 1 HA MET 1 -3.061 20.067 -5.414 5 HB2 MET 1 2HB MET 1 -4.247 21.751 -6.840 6 HB3 MET 1 1HB MET 1 -4.543 21.973 -5.122 7 HG2 MET 1 2HG MET 1 -2.530 23.600 -6.698 8 HG3 MET 1 1HG MET 1 -4.199 24.097 -6.425 9 HE1 MET 1 3HE MET 1 -5.165 24.864 -4.071 10 HE2 MET 1 1HE MET 1 -4.263 24.744 -2.559 11 HE3 MET 1 2HE MET 1 -4.781 23.281 -3.392 12 H GLU 2 H GLU 2 -0.280 20.188 -5.446 13 HA GLU 2 HA GLU 2 0.847 21.268 -7.840 14 HB2 GLU 2 2HB GLU 2 1.896 19.174 -5.866 15 HB3 GLU 2 1HB GLU 2 2.843 19.801 -7.207 16 HG2 GLU 2 2HG GLU 2 3.465 20.860 -5.081 17 HG3 GLU 2 1HG GLU 2 2.835 22.036 -6.236 18 HA PRO 3 HA PRO 3 -0.296 18.037 -10.813 19 HB2 PRO 3 2HB PRO 3 2.451 18.479 -11.974 20 HB3 PRO 3 1HB PRO 3 0.871 18.518 -12.773 21 HG2 PRO 3 2HG PRO 3 2.187 20.784 -12.242 22 HG3 PRO 3 1HG PRO 3 0.422 20.695 -12.073 23 HD2 PRO 3 2HD PRO 3 2.536 20.645 -9.928 24 HD3 PRO 3 1HD PRO 3 0.949 21.447 -9.928 25 H SER 4 H SER 4 -0.230 16.411 -9.198 26 HA SER 4 HA SER 4 2.208 14.959 -8.610 27 HB2 SER 4 2HB SER 4 0.530 13.496 -7.288 28 HB3 SER 4 1HB SER 4 0.726 15.163 -6.753 29 HG SER 4 HG SER 4 -1.246 15.635 -7.400 30 H LYS 5 H LYS 5 2.800 14.311 -10.632 31 HA LYS 5 HA LYS 5 1.109 13.007 -12.531 32 HB2 LYS 5 2HB LYS 5 4.158 13.118 -12.504 33 HB3 LYS 5 1HB LYS 5 3.116 12.879 -13.911 34 HG2 LYS 5 2HG LYS 5 3.310 15.413 -12.239 35 HG3 LYS 5 1HG LYS 5 4.084 15.153 -13.805 36 HD2 LYS 5 2HD LYS 5 1.072 15.090 -13.357 37 HD3 LYS 5 1HD LYS 5 1.962 16.520 -13.872 38 HE2 LYS 5 2HE LYS 5 1.802 13.902 -15.407 39 HE3 LYS 5 1HE LYS 5 0.898 15.375 -15.775 40 HZ1 LYS 5 3HZ LYS 5 3.864 15.137 -15.808 41 HZ2 LYS 5 1HZ LYS 5 2.975 16.525 -16.182 42 HZ3 LYS 5 2HZ LYS 5 2.864 15.157 -17.172 43 H LEU 6 H LEU 6 3.185 11.963 -9.959 44 HA LEU 6 HA LEU 6 3.655 9.270 -10.813 45 HB2 LEU 6 2HB LEU 6 5.178 10.577 -9.326 46 HB3 LEU 6 1HB LEU 6 3.938 10.583 -8.084 47 HG LEU 6 HG LEU 6 4.127 8.116 -7.875 48 HD11 LEU 6 1HD1 LEU 6 4.816 7.529 -10.134 49 HD12 LEU 6 2HD1 LEU 6 5.976 6.908 -8.964 50 HD13 LEU 6 3HD1 LEU 6 6.364 8.350 -9.907 51 HD21 LEU 6 3HD2 LEU 6 6.775 9.572 -7.576 52 HD22 LEU 6 1HD2 LEU 6 6.333 8.054 -6.786 53 HD23 LEU 6 2HD2 LEU 6 5.462 9.534 -6.395 54 H SER 7 H SER 7 1.935 7.876 -10.971 55 HA SER 7 HA SER 7 -0.349 7.859 -9.217 56 HB2 SER 7 2HB SER 7 0.644 5.531 -10.927 57 HB3 SER 7 1HB SER 7 -0.997 5.808 -10.346 58 HG SER 7 HG SER 7 -1.053 6.560 -12.365 59 H TYR 8 H TYR 8 -0.884 5.978 -7.745 60 HA TYR 8 HA TYR 8 1.146 5.621 -5.806 61 HB2 TYR 8 2HB TYR 8 -1.306 5.582 -5.298 62 HB3 TYR 8 1HB TYR 8 -1.430 4.015 -6.095 63 HD1 TYR 8 HD1 TYR 8 1.165 5.332 -3.721 64 HD2 TYR 8 HD2 TYR 8 -1.927 2.452 -4.334 65 HE1 TYR 8 HE1 TYR 8 1.744 4.272 -1.595 66 HE2 TYR 8 HE2 TYR 8 -1.350 1.393 -2.182 67 HH TYR 8 HH TYR 8 0.649 2.849 0.109 68 H GLY 9 H GLY 9 -0.147 3.445 -8.302 69 HA2 GLY 9 2HA GLY 9 1.281 1.098 -7.570 70 HA3 GLY 9 1HA GLY 9 0.557 1.424 -9.137 71 H GLU 10 H GLU 10 2.055 3.806 -9.708 72 HA GLU 10 HA GLU 10 4.456 2.718 -10.837 73 HB2 GLU 10 2HB GLU 10 3.738 5.667 -10.498 74 HB3 GLU 10 1HB GLU 10 4.872 4.975 -11.657 75 HG2 GLU 10 2HG GLU 10 1.861 4.651 -11.640 76 HG3 GLU 10 1HG GLU 10 2.801 5.645 -12.745 77 H TYR 11 H TYR 11 3.659 4.785 -8.094 78 HA TYR 11 HA TYR 11 6.242 5.368 -7.146 79 HB2 TYR 11 2HB TYR 11 4.366 6.660 -6.284 80 HB3 TYR 11 1HB TYR 11 3.566 5.215 -5.679 81 HD1 TYR 11 HD1 TYR 11 6.898 6.934 -5.290 82 HD2 TYR 11 HD2 TYR 11 3.691 4.875 -3.350 83 HE1 TYR 11 HE1 TYR 11 8.048 7.174 -3.142 84 HE2 TYR 11 HE2 TYR 11 4.845 5.123 -1.194 85 HH TYR 11 HH TYR 11 7.042 5.500 -0.321 86 H LEU 12 H LEU 12 4.087 2.604 -6.585 87 HA LEU 12 HA LEU 12 5.478 1.447 -4.407 88 HB2 LEU 12 2HB LEU 12 3.545 0.270 -6.422 89 HB3 LEU 12 1HB LEU 12 4.180 -0.652 -5.062 90 HG LEU 12 HG LEU 12 2.553 1.906 -4.794 91 HD11 LEU 12 1HD1 LEU 12 1.671 -0.961 -4.408 92 HD12 LEU 12 2HD1 LEU 12 1.185 0.122 -5.715 93 HD13 LEU 12 3HD1 LEU 12 0.712 0.483 -4.058 94 HD21 LEU 12 3HD2 LEU 12 2.401 1.301 -2.403 95 HD22 LEU 12 1HD2 LEU 12 4.068 1.598 -2.900 96 HD23 LEU 12 2HD2 LEU 12 3.493 -0.058 -2.677 97 H GLU 13 H GLU 13 5.868 1.151 -7.896 98 HA GLU 13 HA GLU 13 7.628 -1.104 -7.885 99 HB2 GLU 13 2HB GLU 13 7.462 1.106 -9.977 100 HB3 GLU 13 1HB GLU 13 8.102 -0.520 -10.212 101 HG2 GLU 13 2HG GLU 13 5.210 0.252 -9.718 102 HG3 GLU 13 1HG GLU 13 5.909 -0.312 -11.228 103 H SER 14 H SER 14 8.090 2.396 -7.826 104 HA SER 14 HA SER 14 10.953 2.389 -8.061 105 HB2 SER 14 2HB SER 14 9.527 4.308 -8.803 106 HB3 SER 14 1HB SER 14 9.084 4.618 -7.126 107 HG SER 14 HG SER 14 11.684 4.774 -8.261 108 H TRP 15 H TRP 15 8.706 2.983 -5.386 109 HA TRP 15 HA TRP 15 10.368 3.295 -3.197 110 HB2 TRP 15 2HB TRP 15 7.959 3.693 -3.011 111 HB3 TRP 15 1HB TRP 15 7.597 2.014 -3.388 112 HD1 TRP 15 HD1 TRP 15 8.862 4.235 -0.504 113 HE1 TRP 15 HE1 TRP 15 8.592 2.953 1.707 114 HE3 TRP 15 HE3 TRP 15 7.471 -0.336 -2.354 115 HZ2 TRP 15 HZ2 TRP 15 7.906 0.370 2.573 116 HZ3 TRP 15 HZ3 TRP 15 7.026 -2.163 -0.760 117 HH2 TRP 15 HH2 TRP 15 7.241 -1.818 1.660 118 H PHE 16 H PHE 16 8.955 0.336 -4.573 119 HA PHE 16 HA PHE 16 10.073 -1.583 -2.878 120 HB2 PHE 16 2HB PHE 16 8.291 -2.206 -4.401 121 HB3 PHE 16 1HB PHE 16 9.259 -1.779 -5.809 122 HD1 PHE 16 HD2 PHE 16 9.205 -4.094 -2.880 123 HD2 PHE 16 HD1 PHE 16 10.529 -3.451 -6.895 124 HE1 PHE 16 HE2 PHE 16 10.099 -6.365 -2.956 125 HE2 PHE 16 HE1 PHE 16 11.438 -5.734 -6.956 126 HZ PHE 16 HZ PHE 16 11.222 -7.189 -4.986 127 H ASN 17 H ASN 17 11.357 -0.207 -5.922 128 HA ASN 17 HA ASN 17 13.547 -1.946 -6.186 129 HB2 ASN 17 2HB ASN 17 12.640 -0.766 -8.105 130 HB3 ASN 17 1HB ASN 17 12.975 0.796 -7.374 131 HD21 ASN 17 1HD2 ASN 17 14.965 1.676 -7.619 132 HD22 ASN 17 2HD2 ASN 17 16.236 0.939 -8.503 133 H THR 18 H THR 18 13.126 1.159 -4.586 134 HA THR 18 HA THR 18 15.813 1.576 -3.732 135 HB THR 18 HB THR 18 13.195 2.596 -2.529 136 HG1 THR 18 HG1 THR 18 13.689 3.035 -4.849 137 HG21 THR 18 3HG2 THR 18 15.996 3.765 -2.336 138 HG22 THR 18 1HG2 THR 18 15.144 2.939 -1.028 139 HG23 THR 18 2HG2 THR 18 14.522 4.466 -1.657 140 H LYS 19 H LYS 19 12.999 -0.113 -2.394 141 HA LYS 19 HA LYS 19 14.015 -0.258 0.294 142 HB2 LYS 19 2HB LYS 19 11.536 -0.047 -0.391 143 HB3 LYS 19 1HB LYS 19 11.596 -1.755 -0.803 144 HG2 LYS 19 2HG LYS 19 10.637 -1.403 1.430 145 HG3 LYS 19 1HG LYS 19 12.149 -2.320 1.523 146 HD2 LYS 19 2HD LYS 19 13.375 -0.286 2.175 147 HD3 LYS 19 1HD LYS 19 11.906 0.683 2.008 148 HE2 LYS 19 2HE LYS 19 12.320 -1.562 4.010 149 HE3 LYS 19 1HE LYS 19 12.410 0.165 4.366 150 HZ1 LYS 19 3HZ LYS 19 10.021 -1.294 3.393 151 HZ2 LYS 19 1HZ LYS 19 10.096 0.372 3.669 152 HZ3 LYS 19 2HZ LYS 19 10.262 -0.708 4.956 153 H ARG 20 H ARG 20 14.201 -2.266 -2.514 154 HA ARG 20 HA ARG 20 14.761 -4.807 -1.598 155 HB2 ARG 20 2HB ARG 20 16.127 -3.218 -3.803 156 HB3 ARG 20 1HB ARG 20 16.382 -4.944 -3.568 157 HG2 ARG 20 2HG ARG 20 14.141 -5.471 -4.176 158 HG3 ARG 20 1HG ARG 20 13.632 -3.787 -4.049 159 HD2 ARG 20 2HD ARG 20 13.846 -4.483 -6.395 160 HD3 ARG 20 1HD ARG 20 14.979 -3.190 -5.999 161 HE ARG 20 HE ARG 20 16.166 -5.784 -5.746 162 HH11 ARG 20 1HH1 ARG 20 15.363 -3.301 -8.129 163 HH12 ARG 20 2HH1 ARG 20 16.534 -3.872 -9.270 164 HH21 ARG 20 1HH2 ARG 20 17.674 -6.502 -7.269 165 HH22 ARG 20 2HH2 ARG 20 17.839 -5.682 -8.788 166 H HIS 21 H HIS 21 16.946 -1.990 -1.655 167 HA HIS 21 HA HIS 21 19.305 -3.255 -0.726 168 HB2 HIS 21 2HB HIS 21 18.436 -0.337 -0.571 169 HB3 HIS 21 1HB HIS 21 20.057 -0.895 -0.170 170 HD1 HIS 21 HD1 HIS 21 21.386 -2.063 -2.227 171 HD2 HIS 21 HD2 HIS 21 18.074 0.247 -3.217 172 HE1 HIS 21 HE1 HIS 21 21.671 -1.494 -4.657 173 HE2 HIS 21 HE2 HIS 21 19.726 0.004 -5.201 174 H SER 22 H SER 22 16.449 -2.325 0.999 175 HA SER 22 HA SER 22 17.761 -2.305 3.640 176 HB2 SER 22 2HB SER 22 14.847 -1.800 2.857 177 HB3 SER 22 1HB SER 22 15.555 -1.528 4.456 178 HG SER 22 HG SER 22 17.110 -0.149 3.085 179 H VAL 23 H VAL 23 15.733 -4.347 1.630 180 HA VAL 23 HA VAL 23 15.225 -6.241 3.868 181 HB VAL 23 HB VAL 23 13.260 -7.051 2.645 182 HG11 VAL 23 1HG1 VAL 23 11.782 -5.061 2.777 183 HG12 VAL 23 2HG1 VAL 23 13.198 -4.010 2.857 184 HG13 VAL 23 3HG1 VAL 23 12.871 -5.154 4.161 185 HG21 VAL 23 3HG2 VAL 23 12.457 -6.003 0.541 186 HG22 VAL 23 1HG2 VAL 23 14.037 -6.762 0.322 187 HG23 VAL 23 2HG2 VAL 23 13.915 -5.009 0.481 188 H GLY 24 H GLY 24 14.953 -8.588 3.059 189 HA2 GLY 24 2HA GLY 24 17.264 -9.422 1.523 190 HA3 GLY 24 1HA GLY 24 16.023 -10.461 2.212 191 H ILE 25 H ILE 25 16.998 -11.057 -0.268 192 HA ILE 25 HA ILE 25 15.492 -10.025 -2.458 193 HB ILE 25 HB ILE 25 16.849 -12.760 -2.170 194 HG12 ILE 25 2HG1 ILE 25 18.458 -10.891 -1.906 195 HG13 ILE 25 1HG1 ILE 25 18.750 -11.744 -3.417 196 HG21 ILE 25 1HG2 ILE 25 16.871 -12.829 -4.671 197 HG22 ILE 25 2HG2 ILE 25 15.866 -11.380 -4.708 198 HG23 ILE 25 3HG2 ILE 25 15.239 -12.868 -4.002 199 HD11 ILE 25 3HD1 ILE 25 18.961 -9.357 -3.696 200 HD12 ILE 25 1HD1 ILE 25 17.313 -9.116 -3.119 201 HD13 ILE 25 2HD1 ILE 25 17.604 -9.970 -4.636 202 H GLN 26 H GLN 26 15.079 -12.874 -0.386 203 HA GLN 26 HA GLN 26 12.640 -13.790 -1.533 204 HB2 GLN 26 2HB GLN 26 12.430 -15.194 0.516 205 HB3 GLN 26 1HB GLN 26 13.998 -15.339 -0.262 206 HG2 GLN 26 2HG GLN 26 15.030 -13.946 1.450 207 HG3 GLN 26 1HG GLN 26 13.462 -13.623 2.179 208 HE21 GLN 26 1HE2 GLN 26 14.364 -16.852 1.027 209 HE22 GLN 26 2HE2 GLN 26 14.473 -17.564 2.597 210 H THR 27 H THR 27 13.382 -11.625 1.155 211 HA THR 27 HA THR 27 10.760 -11.259 2.166 212 HB THR 27 HB THR 27 13.095 -9.293 2.285 213 HG1 THR 27 HG1 THR 27 12.349 -11.374 4.106 214 HG21 THR 27 3HG2 THR 27 10.964 -8.233 2.967 215 HG22 THR 27 1HG2 THR 27 12.011 -8.469 4.369 216 HG23 THR 27 2HG2 THR 27 10.648 -9.554 4.093 217 H ALA 28 H ALA 28 12.637 -9.603 -0.323 218 HA ALA 28 HA ALA 28 10.909 -7.429 -0.873 219 HB1 ALA 28 3HB ALA 28 13.267 -7.487 -1.594 220 HB2 ALA 28 1HB ALA 28 12.205 -7.219 -2.976 221 HB3 ALA 28 2HB ALA 28 12.916 -8.812 -2.700 222 H LYS 29 H LYS 29 11.214 -10.674 -2.231 223 HA LYS 29 HA LYS 29 9.268 -10.649 -4.232 224 HB2 LYS 29 2HB LYS 29 10.956 -12.420 -3.970 225 HB3 LYS 29 1HB LYS 29 10.255 -12.914 -2.441 226 HG2 LYS 29 2HG LYS 29 8.590 -13.079 -4.955 227 HG3 LYS 29 1HG LYS 29 9.828 -14.299 -4.667 228 HD2 LYS 29 2HD LYS 29 7.467 -13.673 -2.839 229 HD3 LYS 29 1HD LYS 29 7.603 -15.069 -3.912 230 HE2 LYS 29 2HE LYS 29 9.577 -15.841 -2.584 231 HE3 LYS 29 1HE LYS 29 9.349 -14.467 -1.497 232 HZ1 LYS 29 3HZ LYS 29 7.204 -15.321 -0.898 233 HZ2 LYS 29 1HZ LYS 29 8.380 -16.509 -0.647 234 HZ3 LYS 29 2HZ LYS 29 7.361 -16.603 -1.991 235 H VAL 30 H VAL 30 8.977 -11.159 -0.741 236 HA VAL 30 HA VAL 30 6.244 -12.015 -0.695 237 HB VAL 30 HB VAL 30 7.991 -10.891 1.549 238 HG11 VAL 30 1HG1 VAL 30 5.620 -10.716 2.159 239 HG12 VAL 30 2HG1 VAL 30 6.387 -11.983 3.116 240 HG13 VAL 30 3HG1 VAL 30 5.356 -12.411 1.745 241 HG21 VAL 30 3HG2 VAL 30 8.334 -13.265 2.204 242 HG22 VAL 30 1HG2 VAL 30 8.921 -12.950 0.572 243 HG23 VAL 30 2HG2 VAL 30 7.388 -13.777 0.804 244 H LEU 31 H LEU 31 7.842 -8.890 -0.007 245 HA LEU 31 HA LEU 31 5.498 -7.485 0.801 246 HB2 LEU 31 2HB LEU 31 8.102 -6.320 -0.275 247 HB3 LEU 31 1HB LEU 31 6.860 -5.438 0.610 248 HG LEU 31 HG LEU 31 8.664 -7.623 1.720 249 HD11 LEU 31 1HD1 LEU 31 8.533 -4.662 2.354 250 HD12 LEU 31 2HD1 LEU 31 9.798 -5.487 1.436 251 HD13 LEU 31 3HD1 LEU 31 9.576 -5.852 3.144 252 HD21 LEU 31 3HD2 LEU 31 6.444 -6.110 3.154 253 HD22 LEU 31 1HD2 LEU 31 7.609 -7.206 3.909 254 HD23 LEU 31 2HD2 LEU 31 6.445 -7.830 2.746 255 H LYS 32 H LYS 32 7.157 -7.837 -2.317 256 HA LYS 32 HA LYS 32 5.557 -5.921 -3.716 257 HB2 LYS 32 2HB LYS 32 7.884 -6.743 -4.432 258 HB3 LYS 32 1HB LYS 32 7.094 -8.203 -5.021 259 HG2 LYS 32 2HG LYS 32 5.685 -6.810 -6.523 260 HG3 LYS 32 1HG LYS 32 6.508 -5.371 -5.922 261 HD2 LYS 32 2HD LYS 32 8.680 -6.586 -6.779 262 HD3 LYS 32 1HD LYS 32 7.547 -7.539 -7.745 263 HE2 LYS 32 2HE LYS 32 7.834 -4.513 -7.784 264 HE3 LYS 32 1HE LYS 32 8.397 -5.623 -9.033 265 HZ1 LYS 32 3HZ LYS 32 5.559 -5.226 -8.244 266 HZ2 LYS 32 1HZ LYS 32 6.122 -6.216 -9.491 267 HZ3 LYS 32 2HZ LYS 32 6.295 -4.539 -9.599 268 H GLY 33 H GLY 33 5.387 -9.388 -3.131 269 HA2 GLY 33 2HA GLY 33 3.355 -10.138 -4.924 270 HA3 GLY 33 1HA GLY 33 3.715 -10.937 -3.399 271 H TYR 34 H TYR 34 3.207 -8.618 -1.758 272 HA TYR 34 HA TYR 34 0.387 -8.754 -1.354 273 HB2 TYR 34 2HB TYR 34 2.475 -6.803 -0.280 274 HB3 TYR 34 1HB TYR 34 0.816 -6.902 0.303 275 HD1 TYR 34 HD2 TYR 34 0.688 -10.036 0.182 276 HD2 TYR 34 HD1 TYR 34 3.499 -7.287 1.876 277 HE1 TYR 34 HE2 TYR 34 1.343 -11.722 1.839 278 HE2 TYR 34 HE1 TYR 34 4.139 -8.974 3.536 279 HH TYR 34 HH TYR 34 3.200 -12.258 3.273 280 H LEU 35 H LEU 35 2.570 -6.428 -2.886 281 HA LEU 35 HA LEU 35 0.682 -4.330 -3.235 282 HB2 LEU 35 2HB LEU 35 3.352 -4.864 -4.578 283 HB3 LEU 35 1HB LEU 35 2.435 -3.375 -4.774 284 HG LEU 35 HG LEU 35 3.589 -4.391 -2.140 285 HD11 LEU 35 1HD1 LEU 35 5.166 -2.501 -2.310 286 HD12 LEU 35 2HD1 LEU 35 4.544 -2.120 -3.919 287 HD13 LEU 35 3HD1 LEU 35 5.373 -3.653 -3.629 288 HD21 LEU 35 3HD2 LEU 35 2.923 -2.177 -1.244 289 HD22 LEU 35 1HD2 LEU 35 1.533 -3.130 -1.767 290 HD23 LEU 35 2HD2 LEU 35 2.125 -1.808 -2.773 291 H ASN 36 H ASN 36 2.152 -6.546 -5.662 292 HA ASN 36 HA ASN 36 0.654 -5.486 -7.810 293 HB2 ASN 36 2HB ASN 36 1.589 -7.437 -9.119 294 HB3 ASN 36 1HB ASN 36 2.781 -6.438 -8.306 295 HD21 ASN 36 1HD2 ASN 36 4.352 -8.009 -8.280 296 HD22 ASN 36 2HD2 ASN 36 4.283 -9.419 -7.290 297 H SER 37 H SER 37 -0.062 -8.094 -5.604 298 HA SER 37 HA SER 37 -2.196 -9.212 -7.248 299 HB2 SER 37 2HB SER 37 -0.771 -10.675 -5.829 300 HB3 SER 37 1HB SER 37 -1.367 -9.858 -4.383 301 HG SER 37 HG SER 37 -3.070 -11.165 -6.248 302 H ARG 38 H ARG 38 -1.937 -7.344 -4.189 303 HA ARG 38 HA ARG 38 -4.872 -7.243 -3.966 304 HB2 ARG 38 2HB ARG 38 -2.731 -6.493 -1.940 305 HB3 ARG 38 1HB ARG 38 -4.462 -6.395 -1.653 306 HG2 ARG 38 2HG ARG 38 -2.923 -8.956 -2.224 307 HG3 ARG 38 1HG ARG 38 -3.439 -8.410 -0.630 308 HD2 ARG 38 2HD ARG 38 -5.022 -10.068 -1.312 309 HD3 ARG 38 1HD ARG 38 -5.846 -8.518 -1.504 310 HE ARG 38 HE ARG 38 -4.533 -9.591 -3.883 311 HH11 ARG 38 1HH1 ARG 38 -7.568 -9.329 -2.142 312 HH12 ARG 38 2HH1 ARG 38 -8.525 -9.683 -3.542 313 HH21 ARG 38 1HH2 ARG 38 -5.810 -10.010 -5.694 314 HH22 ARG 38 2HH2 ARG 38 -7.532 -10.100 -5.536 315 H ILE 39 H ILE 39 -2.108 -4.933 -3.779 316 HA ILE 39 HA ILE 39 -3.884 -2.689 -3.570 317 HB ILE 39 HB ILE 39 -0.857 -2.774 -3.898 318 HG12 ILE 39 2HG1 ILE 39 -1.008 -1.758 -1.491 319 HG13 ILE 39 1HG1 ILE 39 -2.681 -2.293 -1.497 320 HG21 ILE 39 1HG2 ILE 39 -2.625 -0.346 -3.477 321 HG22 ILE 39 2HG2 ILE 39 -1.670 -0.709 -4.915 322 HG23 ILE 39 3HG2 ILE 39 -0.866 -0.347 -3.389 323 HD11 ILE 39 3HD1 ILE 39 -1.313 -3.839 -0.308 324 HD12 ILE 39 1HD1 ILE 39 -0.221 -4.011 -1.681 325 HD13 ILE 39 2HD1 ILE 39 -1.878 -4.613 -1.790 326 H ILE 40 H ILE 40 -1.789 -3.895 -6.268 327 HA ILE 40 HA ILE 40 -1.969 -1.618 -7.862 328 HB ILE 40 HB ILE 40 -1.056 -4.400 -8.370 329 HG12 ILE 40 2HG1 ILE 40 0.957 -3.233 -9.269 330 HG13 ILE 40 1HG1 ILE 40 0.128 -1.689 -9.141 331 HG21 ILE 40 1HG2 ILE 40 -0.776 -4.104 -10.826 332 HG22 ILE 40 2HG2 ILE 40 -1.764 -2.646 -10.752 333 HG23 ILE 40 3HG2 ILE 40 -2.472 -4.211 -10.349 334 HD11 ILE 40 3HD1 ILE 40 0.096 -1.958 -6.686 335 HD12 ILE 40 1HD1 ILE 40 1.719 -1.943 -7.375 336 HD13 ILE 40 2HD1 ILE 40 0.994 -3.466 -6.873 337 HA PRO 41 HA PRO 41 -5.824 -3.451 -10.261 338 HB2 PRO 41 2HB PRO 41 -7.386 -5.330 -9.040 339 HB3 PRO 41 1HB PRO 41 -5.990 -5.770 -10.035 340 HG2 PRO 41 2HG PRO 41 -6.161 -5.510 -7.026 341 HG3 PRO 41 1HG PRO 41 -5.477 -6.840 -7.992 342 HD2 PRO 41 2HD PRO 41 -3.880 -4.940 -6.926 343 HD3 PRO 41 1HD PRO 41 -3.534 -5.641 -8.521 344 H SER 42 H SER 42 -5.685 -2.627 -6.908 345 HA SER 42 HA SER 42 -8.421 -1.487 -6.912 346 HB2 SER 42 2HB SER 42 -6.582 -2.122 -4.557 347 HB3 SER 42 1HB SER 42 -8.239 -1.518 -4.442 348 HG SER 42 HG SER 42 -8.814 -3.522 -4.520 349 H LEU 43 H LEU 43 -5.393 -0.592 -5.212 350 HA LEU 43 HA LEU 43 -6.035 2.253 -5.406 351 HB2 LEU 43 2HB LEU 43 -3.864 0.841 -3.826 352 HB3 LEU 43 1HB LEU 43 -4.360 2.515 -3.630 353 HG LEU 43 HG LEU 43 -6.164 0.126 -3.044 354 HD11 LEU 43 1HD1 LEU 43 -4.258 0.096 -1.514 355 HD12 LEU 43 2HD1 LEU 43 -5.736 0.537 -0.662 356 HD13 LEU 43 3HD1 LEU 43 -4.551 1.780 -1.077 357 HD21 LEU 43 3HD2 LEU 43 -7.591 1.770 -1.883 358 HD22 LEU 43 1HD2 LEU 43 -7.401 2.183 -3.589 359 HD23 LEU 43 2HD2 LEU 43 -6.499 3.072 -2.360 360 H GLY 44 H GLY 44 -3.962 -0.002 -6.938 361 HA2 GLY 44 2HA GLY 44 -1.568 1.478 -7.260 362 HA3 GLY 44 1HA GLY 44 -2.070 0.105 -8.232 363 H ASN 45 H ASN 45 -4.324 0.970 -9.449 364 HA ASN 45 HA ASN 45 -3.381 2.684 -11.518 365 HB2 ASN 45 2HB ASN 45 -6.231 1.788 -10.953 366 HB3 ASN 45 1HB ASN 45 -5.641 2.448 -12.474 367 HD21 ASN 45 1HD2 ASN 45 -3.112 0.917 -12.370 368 HD22 ASN 45 2HD2 ASN 45 -3.544 -0.711 -12.727 369 H ILE 46 H ILE 46 -5.063 3.283 -8.545 370 HA ILE 46 HA ILE 46 -6.063 5.905 -9.140 371 HB ILE 46 HB ILE 46 -5.419 4.609 -6.443 372 HG12 ILE 46 2HG1 ILE 46 -8.096 4.811 -7.907 373 HG13 ILE 46 1HG1 ILE 46 -7.134 3.344 -7.748 374 HG21 ILE 46 1HG2 ILE 46 -5.528 7.051 -6.219 375 HG22 ILE 46 2HG2 ILE 46 -6.926 6.307 -5.445 376 HG23 ILE 46 3HG2 ILE 46 -7.099 7.074 -7.024 377 HD11 ILE 46 3HD1 ILE 46 -9.015 3.350 -6.207 378 HD12 ILE 46 1HD1 ILE 46 -8.451 4.853 -5.478 379 HD13 ILE 46 2HD1 ILE 46 -7.495 3.380 -5.317 380 H LYS 47 H LYS 47 -5.054 7.868 -8.841 381 HA LYS 47 HA LYS 47 -2.229 8.052 -8.878 382 HB2 LYS 47 2HB LYS 47 -4.305 10.235 -8.426 383 HB3 LYS 47 1HB LYS 47 -2.613 10.518 -8.803 384 HG2 LYS 47 2HG LYS 47 -4.671 9.209 -10.611 385 HG3 LYS 47 1HG LYS 47 -4.018 10.845 -10.772 386 HD2 LYS 47 2HD LYS 47 -2.408 8.263 -11.014 387 HD3 LYS 47 1HD LYS 47 -2.990 9.230 -12.372 388 HE2 LYS 47 2HE LYS 47 -1.064 10.247 -10.245 389 HE3 LYS 47 1HE LYS 47 -0.574 9.600 -11.810 390 HZ1 LYS 47 3HZ LYS 47 -0.663 12.017 -11.795 391 HZ2 LYS 47 1HZ LYS 47 -2.311 11.969 -11.424 392 HZ3 LYS 47 2HZ LYS 47 -1.760 11.367 -12.905 393 H LEU 48 H LEU 48 -0.800 8.708 -7.327 394 HA LEU 48 HA LEU 48 -0.966 7.746 -4.758 395 HB2 LEU 48 2HB LEU 48 1.116 8.175 -5.952 396 HB3 LEU 48 1HB LEU 48 0.815 9.899 -5.938 397 HG LEU 48 HG LEU 48 1.144 9.927 -3.459 398 HD11 LEU 48 1HD1 LEU 48 2.122 7.982 -2.326 399 HD12 LEU 48 2HD1 LEU 48 1.913 7.015 -3.787 400 HD13 LEU 48 3HD1 LEU 48 0.500 7.629 -2.922 401 HD21 LEU 48 3HD2 LEU 48 3.458 8.742 -5.027 402 HD22 LEU 48 1HD2 LEU 48 3.585 9.631 -3.506 403 HD23 LEU 48 2HD2 LEU 48 3.015 10.450 -4.958 404 H ALA 49 H ALA 49 -1.485 11.105 -5.809 405 HA ALA 49 HA ALA 49 -1.966 12.135 -3.151 406 HB1 ALA 49 3HB ALA 49 -2.421 13.450 -5.844 407 HB2 ALA 49 1HB ALA 49 -0.937 13.536 -4.896 408 HB3 ALA 49 2HB ALA 49 -2.419 14.268 -4.277 409 H LYS 50 H LYS 50 -3.939 10.743 -5.673 410 HA LYS 50 HA LYS 50 -6.461 11.820 -4.677 411 HB2 LYS 50 2HB LYS 50 -5.910 9.719 -6.808 412 HB3 LYS 50 1HB LYS 50 -7.516 10.325 -6.396 413 HG2 LYS 50 2HG LYS 50 -5.218 11.947 -7.537 414 HG3 LYS 50 1HG LYS 50 -6.660 11.414 -8.409 415 HD2 LYS 50 2HD LYS 50 -8.083 12.855 -7.062 416 HD3 LYS 50 1HD LYS 50 -6.740 13.270 -5.993 417 HE2 LYS 50 2HE LYS 50 -5.603 14.382 -7.915 418 HE3 LYS 50 1HE LYS 50 -7.005 14.015 -8.925 419 HZ1 LYS 50 3HZ LYS 50 -7.020 16.262 -8.050 420 HZ2 LYS 50 1HZ LYS 50 -7.067 15.668 -6.469 421 HZ3 LYS 50 2HZ LYS 50 -8.356 15.380 -7.528 422 H LEU 51 H LEU 51 -4.424 9.314 -3.670 423 HA LEU 51 HA LEU 51 -6.299 7.435 -2.683 424 HB2 LEU 51 2HB LEU 51 -3.450 8.100 -2.051 425 HB3 LEU 51 1HB LEU 51 -4.341 7.287 -0.782 426 HG LEU 51 HG LEU 51 -4.895 5.456 -2.422 427 HD11 LEU 51 1HD1 LEU 51 -2.831 6.803 -4.180 428 HD12 LEU 51 2HD1 LEU 51 -4.558 6.683 -4.513 429 HD13 LEU 51 3HD1 LEU 51 -3.574 5.222 -4.459 430 HD21 LEU 51 3HD2 LEU 51 -3.119 5.230 -0.749 431 HD22 LEU 51 1HD2 LEU 51 -1.951 5.924 -1.878 432 HD23 LEU 51 2HD2 LEU 51 -2.719 4.375 -2.233 433 H THR 52 H THR 52 -8.067 8.561 -1.856 434 HA THR 52 HA THR 52 -7.774 10.191 0.547 435 HB THR 52 HB THR 52 -9.510 10.777 -1.124 436 HG1 THR 52 HG1 THR 52 -10.002 11.405 0.935 437 HG21 THR 52 3HG2 THR 52 -10.831 8.141 -0.390 438 HG22 THR 52 1HG2 THR 52 -10.106 8.536 -1.953 439 HG23 THR 52 2HG2 THR 52 -11.538 9.404 -1.400 440 H SER 53 H SER 53 -9.125 9.532 2.502 441 HA SER 53 HA SER 53 -8.208 7.011 3.467 442 HB2 SER 53 2HB SER 53 -8.516 9.013 4.927 443 HB3 SER 53 1HB SER 53 -10.264 8.874 4.735 444 HG SER 53 HG SER 53 -9.604 7.869 6.645 445 H LEU 54 H LEU 54 -11.170 8.077 1.976 446 HA LEU 54 HA LEU 54 -12.872 5.912 2.580 447 HB2 LEU 54 2HB LEU 54 -13.697 8.002 1.600 448 HB3 LEU 54 1HB LEU 54 -12.766 7.714 0.142 449 HG LEU 54 HG LEU 54 -14.181 5.745 -0.393 450 HD11 LEU 54 1HD1 LEU 54 -16.248 5.295 0.854 451 HD12 LEU 54 2HD1 LEU 54 -15.794 6.498 2.066 452 HD13 LEU 54 3HD1 LEU 54 -14.817 5.041 1.850 453 HD21 LEU 54 3HD2 LEU 54 -15.783 8.277 0.084 454 HD22 LEU 54 1HD2 LEU 54 -16.217 6.963 -1.011 455 HD23 LEU 54 2HD2 LEU 54 -14.778 7.930 -1.328 456 H HIS 55 H HIS 55 -10.378 6.352 0.070 457 HA HIS 55 HA HIS 55 -10.853 3.965 -1.403 458 HB2 HIS 55 2HB HIS 55 -8.342 5.656 -1.133 459 HB3 HIS 55 1HB HIS 55 -8.406 4.228 -2.156 460 HD1 HIS 55 HD1 HIS 55 -7.706 6.703 -3.528 461 HD2 HIS 55 HD2 HIS 55 -11.670 5.580 -2.992 462 HE1 HIS 55 HE1 HIS 55 -8.970 7.868 -5.322 463 HE2 HIS 55 HE2 HIS 55 -11.395 7.270 -4.938 464 H MET 56 H MET 56 -8.862 4.680 1.422 465 HA MET 56 HA MET 56 -7.553 2.169 1.679 466 HB2 MET 56 2HB MET 56 -8.358 4.099 3.895 467 HB3 MET 56 1HB MET 56 -7.184 2.799 4.047 468 HG2 MET 56 2HG MET 56 -6.890 5.265 2.319 469 HG3 MET 56 1HG MET 56 -6.122 4.987 3.876 470 HE1 MET 56 3HE MET 56 -5.523 5.022 0.195 471 HE2 MET 56 1HE MET 56 -6.403 3.493 0.191 472 HE3 MET 56 2HE MET 56 -4.684 3.520 -0.194 473 H GLN 57 H GLN 57 -10.606 3.458 2.910 474 HA GLN 57 HA GLN 57 -11.355 1.270 4.546 475 HB2 GLN 57 2HB GLN 57 -12.327 3.509 4.848 476 HB3 GLN 57 1HB GLN 57 -13.053 3.442 3.247 477 HG2 GLN 57 2HG GLN 57 -14.719 3.046 5.004 478 HG3 GLN 57 1HG GLN 57 -14.553 1.637 3.962 479 HE21 GLN 57 1HE2 GLN 57 -13.663 -0.273 4.823 480 HE22 GLN 57 2HE2 GLN 57 -13.460 -0.515 6.516 481 H ASN 58 H ASN 58 -12.155 2.112 1.163 482 HA ASN 58 HA ASN 58 -14.007 0.002 0.677 483 HB2 ASN 58 2HB ASN 58 -12.311 1.572 -1.307 484 HB3 ASN 58 1HB ASN 58 -13.670 0.535 -1.741 485 HD21 ASN 58 1HD2 ASN 58 -13.319 3.341 -2.264 486 HD22 ASN 58 2HD2 ASN 58 -14.627 4.169 -1.502 487 H TYR 59 H TYR 59 -10.519 0.329 0.313 488 HA TYR 59 HA TYR 59 -9.912 -2.135 -0.923 489 HB2 TYR 59 2HB TYR 59 -8.265 -0.333 -0.771 490 HB3 TYR 59 1HB TYR 59 -8.293 -0.390 0.987 491 HD1 TYR 59 HD2 TYR 59 -7.343 -2.384 -2.051 492 HD2 TYR 59 HD1 TYR 59 -6.803 -1.841 2.157 493 HE1 TYR 59 HE2 TYR 59 -5.477 -3.987 -2.074 494 HE2 TYR 59 HE1 TYR 59 -4.951 -3.444 2.130 495 HH TYR 59 HH TYR 59 -3.535 -4.568 -0.755 496 H VAL 60 H VAL 60 -10.116 -1.191 2.516 497 HA VAL 60 HA VAL 60 -9.550 -3.715 3.686 498 HB VAL 60 HB VAL 60 -10.989 -1.258 4.775 499 HG11 VAL 60 1HG1 VAL 60 -11.820 -3.201 6.048 500 HG12 VAL 60 2HG1 VAL 60 -10.744 -2.228 7.053 501 HG13 VAL 60 3HG1 VAL 60 -10.158 -3.733 6.339 502 HG21 VAL 60 3HG2 VAL 60 -8.885 -0.908 6.032 503 HG22 VAL 60 1HG2 VAL 60 -8.577 -0.966 4.293 504 HG23 VAL 60 2HG2 VAL 60 -8.206 -2.365 5.303 505 H ASN 61 H ASN 61 -12.552 -2.255 2.567 506 HA ASN 61 HA ASN 61 -14.381 -4.162 3.624 507 HB2 ASN 61 2HB ASN 61 -14.644 -2.299 1.223 508 HB3 ASN 61 1HB ASN 61 -15.968 -3.276 1.852 509 HD21 ASN 61 1HD2 ASN 61 -15.773 -0.380 1.597 510 HD22 ASN 61 2HD2 ASN 61 -15.996 0.261 3.187 511 H SER 62 H SER 62 -12.490 -3.933 0.646 512 HA SER 62 HA SER 62 -13.573 -6.227 -0.682 513 HB2 SER 62 2HB SER 62 -10.892 -4.827 -1.100 514 HB3 SER 62 1HB SER 62 -11.663 -5.948 -2.230 515 HG SER 62 HG SER 62 -13.048 -3.667 -1.346 516 H LEU 63 H LEU 63 -10.937 -5.717 1.621 517 HA LEU 63 HA LEU 63 -9.656 -8.247 1.396 518 HB2 LEU 63 2HB LEU 63 -9.847 -6.488 3.876 519 HB3 LEU 63 1HB LEU 63 -8.662 -7.756 3.588 520 HG LEU 63 HG LEU 63 -8.869 -5.100 2.132 521 HD11 LEU 63 1HD1 LEU 63 -7.913 -4.911 4.363 522 HD12 LEU 63 2HD1 LEU 63 -6.711 -4.581 3.118 523 HD13 LEU 63 3HD1 LEU 63 -6.699 -6.131 3.965 524 HD21 LEU 63 3HD2 LEU 63 -6.943 -7.375 1.585 525 HD22 LEU 63 1HD2 LEU 63 -6.836 -5.753 0.895 526 HD23 LEU 63 2HD2 LEU 63 -8.212 -6.781 0.512 527 H ARG 64 H ARG 64 -12.251 -7.055 3.506 528 HA ARG 64 HA ARG 64 -12.720 -9.557 4.842 529 HB2 ARG 64 2HB ARG 64 -13.266 -7.433 5.949 530 HB3 ARG 64 1HB ARG 64 -14.408 -7.026 4.668 531 HG2 ARG 64 2HG ARG 64 -15.831 -8.943 5.334 532 HG3 ARG 64 1HG ARG 64 -14.679 -9.355 6.601 533 HD2 ARG 64 2HD ARG 64 -15.177 -7.332 7.817 534 HD3 ARG 64 1HD ARG 64 -16.153 -6.707 6.482 535 HE ARG 64 HE ARG 64 -17.902 -8.083 7.096 536 HH11 ARG 64 1HH1 ARG 64 -15.081 -8.941 9.056 537 HH12 ARG 64 2HH1 ARG 64 -16.013 -9.936 10.130 538 HH21 ARG 64 1HH2 ARG 64 -19.074 -9.410 8.490 539 HH22 ARG 64 2HH2 ARG 64 -18.262 -10.208 9.806 540 H ASP 65 H ASP 65 -13.880 -8.033 1.900 541 HA ASP 65 HA ASP 65 -16.252 -9.553 1.467 542 HB2 ASP 65 2HB ASP 65 -15.776 -7.389 0.341 543 HB3 ASP 65 1HB ASP 65 -14.442 -8.123 -0.537 544 H GLU 66 H GLU 66 -12.869 -9.981 0.495 545 HA GLU 66 HA GLU 66 -13.314 -12.522 -0.829 546 HB2 GLU 66 2HB GLU 66 -10.716 -11.196 0.065 547 HB3 GLU 66 1HB GLU 66 -10.835 -12.621 -0.968 548 HG2 GLU 66 2HG GLU 66 -11.782 -9.815 -1.633 549 HG3 GLU 66 1HG GLU 66 -10.371 -10.639 -2.298 550 H GLY 67 H GLY 67 -13.164 -11.525 2.367 551 HA2 GLY 67 2HA GLY 67 -13.307 -12.665 4.342 552 HA3 GLY 67 1HA GLY 67 -13.302 -14.170 3.437 553 H LEU 68 H LEU 68 -10.726 -11.873 3.008 554 HA LEU 68 HA LEU 68 -8.646 -13.683 3.498 555 HB2 LEU 68 2HB LEU 68 -8.581 -10.634 3.505 556 HB3 LEU 68 1HB LEU 68 -7.146 -11.652 3.500 557 HG LEU 68 HG LEU 68 -9.223 -11.472 1.279 558 HD11 LEU 68 1HD1 LEU 68 -7.805 -9.501 1.344 559 HD12 LEU 68 2HD1 LEU 68 -7.389 -10.489 -0.055 560 HD13 LEU 68 3HD1 LEU 68 -6.348 -10.500 1.374 561 HD21 LEU 68 3HD2 LEU 68 -8.337 -13.761 1.457 562 HD22 LEU 68 1HD2 LEU 68 -6.685 -13.144 1.363 563 HD23 LEU 68 2HD2 LEU 68 -7.781 -12.975 -0.012 564 H LYS 69 H LYS 69 -7.111 -13.829 5.145 565 HA LYS 69 HA LYS 69 -8.185 -13.614 7.816 566 HB2 LYS 69 2HB LYS 69 -6.240 -14.933 8.478 567 HB3 LYS 69 1HB LYS 69 -6.951 -15.627 7.026 568 HG2 LYS 69 2HG LYS 69 -5.131 -14.255 5.753 569 HG3 LYS 69 1HG LYS 69 -4.351 -14.123 7.327 570 HD2 LYS 69 2HD LYS 69 -4.993 -16.695 5.828 571 HD3 LYS 69 1HD LYS 69 -3.396 -15.977 6.059 572 HE2 LYS 69 2HE LYS 69 -5.184 -17.137 8.226 573 HE3 LYS 69 1HE LYS 69 -3.699 -17.846 7.595 574 HZ1 LYS 69 3HZ LYS 69 -3.955 -15.347 9.177 575 HZ2 LYS 69 1HZ LYS 69 -2.525 -15.836 8.416 576 HZ3 LYS 69 2HZ LYS 69 -3.203 -16.785 9.636 577 H ARG 70 H ARG 70 -7.424 -12.289 9.461 578 HA ARG 70 HA ARG 70 -6.523 -9.730 8.753 579 HB2 ARG 70 2HB ARG 70 -6.556 -9.171 11.095 580 HB3 ARG 70 1HB ARG 70 -7.915 -10.222 10.745 581 HG2 ARG 70 2HG ARG 70 -6.688 -12.135 11.728 582 HG3 ARG 70 1HG ARG 70 -5.334 -11.065 12.097 583 HD2 ARG 70 2HD ARG 70 -8.135 -10.999 13.259 584 HD3 ARG 70 1HD ARG 70 -6.610 -11.298 14.107 585 HE ARG 70 HE ARG 70 -6.202 -8.830 13.134 586 HH11 ARG 70 1HH1 ARG 70 -8.891 -10.143 14.979 587 HH12 ARG 70 2HH1 ARG 70 -9.339 -8.601 15.632 588 HH21 ARG 70 1HH2 ARG 70 -6.879 -6.816 13.914 589 HH22 ARG 70 2HH2 ARG 70 -8.191 -6.723 15.033 590 H GLY 71 H GLY 71 -4.638 -12.547 9.611 591 HA2 GLY 71 2HA GLY 71 -2.146 -11.415 10.102 592 HA3 GLY 71 1HA GLY 71 -2.405 -12.932 9.251 593 H THR 72 H THR 72 -3.481 -12.342 6.916 594 HA THR 72 HA THR 72 -1.385 -11.201 5.362 595 HB THR 72 HB THR 72 -4.253 -11.797 4.494 596 HG1 THR 72 HG1 THR 72 -3.442 -13.824 3.953 597 HG21 THR 72 3HG2 THR 72 -3.307 -12.006 2.222 598 HG22 THR 72 1HG2 THR 72 -1.704 -11.586 2.826 599 HG23 THR 72 2HG2 THR 72 -3.000 -10.385 2.852 600 H ILE 73 H ILE 73 -4.581 -10.034 6.390 601 HA ILE 73 HA ILE 73 -4.685 -7.595 5.011 602 HB ILE 73 HB ILE 73 -5.950 -8.392 7.670 603 HG12 ILE 73 2HG1 ILE 73 -7.140 -8.251 4.854 604 HG13 ILE 73 1HG1 ILE 73 -6.683 -9.734 5.689 605 HG21 ILE 73 1HG2 ILE 73 -7.523 -6.481 7.348 606 HG22 ILE 73 2HG2 ILE 73 -6.549 -5.930 5.988 607 HG23 ILE 73 3HG2 ILE 73 -5.862 -5.948 7.610 608 HD11 ILE 73 3HD1 ILE 73 -8.429 -9.296 7.374 609 HD12 ILE 73 1HD1 ILE 73 -9.083 -9.405 5.738 610 HD13 ILE 73 2HD1 ILE 73 -8.889 -7.830 6.504 611 H GLU 74 H GLU 74 -3.297 -8.422 8.157 612 HA GLU 74 HA GLU 74 -2.647 -5.862 9.090 613 HB2 GLU 74 2HB GLU 74 -2.529 -7.936 10.474 614 HB3 GLU 74 1HB GLU 74 -1.150 -8.487 9.533 615 HG2 GLU 74 2HG GLU 74 0.188 -6.589 10.375 616 HG3 GLU 74 1HG GLU 74 -1.208 -6.015 11.285 617 H LYS 75 H LYS 75 -0.692 -8.186 7.216 618 HA LYS 75 HA LYS 75 1.672 -6.573 7.226 619 HB2 LYS 75 2HB LYS 75 0.925 -9.077 5.672 620 HB3 LYS 75 1HB LYS 75 2.519 -8.327 5.589 621 HG2 LYS 75 2HG LYS 75 2.775 -8.650 8.047 622 HG3 LYS 75 1HG LYS 75 1.215 -9.478 8.088 623 HD2 LYS 75 2HD LYS 75 3.563 -10.396 6.382 624 HD3 LYS 75 1HD LYS 75 3.265 -10.986 8.017 625 HE2 LYS 75 2HE LYS 75 1.252 -11.229 5.756 626 HE3 LYS 75 1HE LYS 75 2.414 -12.487 6.175 627 HZ1 LYS 75 3HZ LYS 75 0.200 -12.805 7.165 628 HZ2 LYS 75 1HZ LYS 75 0.409 -11.383 8.059 629 HZ3 LYS 75 2HZ LYS 75 1.429 -12.704 8.319 630 H ILE 76 H ILE 76 -0.902 -7.088 4.799 631 HA ILE 76 HA ILE 76 0.440 -5.707 2.682 632 HB ILE 76 HB ILE 76 -1.703 -5.658 1.477 633 HG12 ILE 76 2HG1 ILE 76 -2.931 -6.599 4.101 634 HG13 ILE 76 1HG1 ILE 76 -3.326 -5.140 3.202 635 HG21 ILE 76 1HG2 ILE 76 -2.118 -8.069 1.296 636 HG22 ILE 76 2HG2 ILE 76 -1.306 -8.343 2.837 637 HG23 ILE 76 3HG2 ILE 76 -0.392 -7.753 1.454 638 HD11 ILE 76 3HD1 ILE 76 -4.267 -6.565 1.404 639 HD12 ILE 76 1HD1 ILE 76 -5.078 -6.753 2.956 640 HD13 ILE 76 2HD1 ILE 76 -3.946 -7.982 2.406 641 H ILE 77 H ILE 77 -1.868 -4.691 5.195 642 HA ILE 77 HA ILE 77 -2.071 -1.960 4.422 643 HB ILE 77 HB ILE 77 -2.539 -3.355 7.087 644 HG12 ILE 77 2HG1 ILE 77 -4.174 -3.885 5.300 645 HG13 ILE 77 1HG1 ILE 77 -4.941 -2.982 6.599 646 HG21 ILE 77 1HG2 ILE 77 -3.656 -1.299 7.926 647 HG22 ILE 77 2HG2 ILE 77 -3.087 -0.418 6.506 648 HG23 ILE 77 3HG2 ILE 77 -1.924 -1.058 7.669 649 HD11 ILE 77 3HD1 ILE 77 -4.848 -0.947 5.237 650 HD12 ILE 77 1HD1 ILE 77 -5.721 -2.246 4.427 651 HD13 ILE 77 2HD1 ILE 77 -4.076 -1.856 3.934 652 H LYS 78 H LYS 78 0.264 -3.718 6.494 653 HA LYS 78 HA LYS 78 1.658 -1.485 7.541 654 HB2 LYS 78 2HB LYS 78 2.772 -4.253 6.910 655 HB3 LYS 78 1HB LYS 78 3.613 -3.030 7.859 656 HG2 LYS 78 2HG LYS 78 1.002 -4.367 8.606 657 HG3 LYS 78 1HG LYS 78 2.581 -4.743 9.285 658 HD2 LYS 78 2HD LYS 78 2.701 -2.493 10.283 659 HD3 LYS 78 1HD LYS 78 1.161 -2.055 9.536 660 HE2 LYS 78 2HE LYS 78 0.905 -2.652 11.936 661 HE3 LYS 78 1HE LYS 78 -0.010 -3.736 10.887 662 HZ1 LYS 78 3HZ LYS 78 1.161 -4.919 12.639 663 HZ2 LYS 78 1HZ LYS 78 2.646 -4.336 12.076 664 HZ3 LYS 78 2HZ LYS 78 1.727 -5.379 11.114 665 H VAL 79 H VAL 79 2.119 -3.315 4.540 666 HA VAL 79 HA VAL 79 4.429 -1.938 3.622 667 HB VAL 79 HB VAL 79 2.346 -3.430 1.948 668 HG11 VAL 79 1HG1 VAL 79 3.779 -1.983 0.549 669 HG12 VAL 79 2HG1 VAL 79 4.176 -3.681 0.277 670 HG13 VAL 79 3HG1 VAL 79 5.228 -2.677 1.279 671 HG21 VAL 79 3HG2 VAL 79 3.867 -5.377 2.090 672 HG22 VAL 79 1HG2 VAL 79 3.320 -4.893 3.695 673 HG23 VAL 79 2HG2 VAL 79 4.944 -4.470 3.155 674 H ILE 80 H ILE 80 0.919 -1.429 3.040 675 HA ILE 80 HA ILE 80 1.070 0.733 1.229 676 HB ILE 80 HB ILE 80 -1.065 0.110 3.320 677 HG12 ILE 80 2HG1 ILE 80 -1.015 -0.417 0.320 678 HG13 ILE 80 1HG1 ILE 80 -0.747 -1.630 1.566 679 HG21 ILE 80 1HG2 ILE 80 -1.273 2.097 1.017 680 HG22 ILE 80 2HG2 ILE 80 -1.255 2.494 2.739 681 HG23 ILE 80 3HG2 ILE 80 -2.607 1.592 2.055 682 HD11 ILE 80 3HD1 ILE 80 -2.983 -1.788 0.660 683 HD12 ILE 80 1HD1 ILE 80 -3.306 -0.108 1.079 684 HD13 ILE 80 2HD1 ILE 80 -3.057 -1.305 2.354 685 H ARG 81 H ARG 81 0.823 0.727 4.764 686 HA ARG 81 HA ARG 81 0.767 3.497 5.224 687 HB2 ARG 81 2HB ARG 81 1.688 1.227 7.043 688 HB3 ARG 81 1HB ARG 81 1.511 2.898 7.582 689 HG2 ARG 81 2HG ARG 81 -0.886 2.831 7.024 690 HG3 ARG 81 1HG ARG 81 -0.722 1.162 6.483 691 HD2 ARG 81 2HD ARG 81 -1.690 1.224 8.705 692 HD3 ARG 81 1HD ARG 81 -0.085 0.504 8.787 693 HE ARG 81 HE ARG 81 0.688 2.770 9.558 694 HH11 ARG 81 1HH1 ARG 81 -2.640 1.787 10.138 695 HH12 ARG 81 2HH1 ARG 81 -2.781 2.727 11.586 696 HH21 ARG 81 1HH2 ARG 81 0.474 3.995 11.459 697 HH22 ARG 81 2HH2 ARG 81 -1.019 3.970 12.341 698 H ASN 82 H ASN 82 3.470 1.209 5.158 699 HA ASN 82 HA ASN 82 5.507 3.046 5.923 700 HB2 ASN 82 2HB ASN 82 5.635 0.567 6.216 701 HB3 ASN 82 1HB ASN 82 5.754 0.375 4.471 702 HD21 ASN 82 1HD2 ASN 82 7.418 2.899 6.376 703 HD22 ASN 82 2HD2 ASN 82 9.001 2.293 6.067 704 H SER 83 H SER 83 4.266 1.971 2.776 705 HA SER 83 HA SER 83 6.136 3.291 1.107 706 HB2 SER 83 2HB SER 83 3.205 2.620 0.591 707 HB3 SER 83 1HB SER 83 4.352 3.138 -0.650 708 HG SER 83 HG SER 83 3.953 0.693 0.363 709 H LEU 84 H LEU 84 2.943 4.301 2.342 710 HA LEU 84 HA LEU 84 3.009 6.896 1.185 711 HB2 LEU 84 2HB LEU 84 1.243 5.673 3.324 712 HB3 LEU 84 1HB LEU 84 1.035 7.321 2.755 713 HG LEU 84 HG LEU 84 0.717 4.794 1.088 714 HD11 LEU 84 1HD1 LEU 84 -1.333 6.853 1.965 715 HD12 LEU 84 2HD1 LEU 84 -1.176 5.198 2.552 716 HD13 LEU 84 3HD1 LEU 84 -1.635 5.488 0.881 717 HD21 LEU 84 3HD2 LEU 84 1.725 6.546 -0.291 718 HD22 LEU 84 1HD2 LEU 84 0.473 7.689 0.203 719 HD23 LEU 84 2HD2 LEU 84 0.052 6.275 -0.768 720 H GLU 85 H GLU 85 4.267 5.648 4.223 721 HA GLU 85 HA GLU 85 4.751 8.093 5.569 722 HB2 GLU 85 2HB GLU 85 6.329 5.475 5.592 723 HB3 GLU 85 1HB GLU 85 6.737 6.845 6.622 724 HG2 GLU 85 2HG GLU 85 4.149 5.273 6.694 725 HG3 GLU 85 1HG GLU 85 5.486 5.115 7.823 726 H HIS 86 H HIS 86 6.628 6.239 3.189 727 HA HIS 86 HA HIS 86 8.866 8.054 3.138 728 HB2 HIS 86 2HB HIS 86 9.124 5.610 2.740 729 HB3 HIS 86 1HB HIS 86 8.162 5.751 1.272 730 HD1 HIS 86 HD1 HIS 86 11.309 7.487 2.604 731 HD2 HIS 86 HD2 HIS 86 9.807 5.802 -0.883 732 HE1 HIS 86 HE1 HIS 86 13.149 7.700 0.913 733 HE2 HIS 86 HE2 HIS 86 12.272 6.524 -1.136 734 H ALA 87 H ALA 87 5.849 7.799 1.422 735 HA ALA 87 HA ALA 87 6.498 9.544 -0.750 736 HB1 ALA 87 3HB ALA 87 4.070 9.657 -1.118 737 HB2 ALA 87 1HB ALA 87 3.788 8.871 0.439 738 HB3 ALA 87 2HB ALA 87 4.599 7.993 -0.861 739 H ILE 88 H ILE 88 5.185 10.078 2.541 740 HA ILE 88 HA ILE 88 4.876 12.911 2.355 741 HB ILE 88 HB ILE 88 5.486 11.240 4.836 742 HG12 ILE 88 2HG1 ILE 88 2.816 12.296 3.808 743 HG13 ILE 88 1HG1 ILE 88 3.334 10.613 3.767 744 HG21 ILE 88 1HG2 ILE 88 4.666 13.161 6.170 745 HG22 ILE 88 2HG2 ILE 88 4.479 14.109 4.695 746 HG23 ILE 88 3HG2 ILE 88 6.087 13.608 5.222 747 HD11 ILE 88 3HD1 ILE 88 1.761 11.074 5.579 748 HD12 ILE 88 1HD1 ILE 88 2.890 12.233 6.276 749 HD13 ILE 88 2HD1 ILE 88 3.320 10.520 6.188 750 H ASP 89 H ASP 89 7.508 10.812 3.371 751 HA ASP 89 HA ASP 89 9.455 12.620 4.171 752 HB2 ASP 89 2HB ASP 89 9.713 10.267 4.585 753 HB3 ASP 89 1HB ASP 89 9.619 9.881 2.873 754 H LEU 90 H LEU 90 8.840 11.332 0.889 755 HA LEU 90 HA LEU 90 10.865 13.017 -0.350 756 HB2 LEU 90 2HB LEU 90 8.828 11.114 -1.560 757 HB3 LEU 90 1HB LEU 90 10.057 11.962 -2.486 758 HG LEU 90 HG LEU 90 10.548 9.818 -0.379 759 HD11 LEU 90 1HD1 LEU 90 11.385 8.474 -2.265 760 HD12 LEU 90 2HD1 LEU 90 10.947 9.761 -3.392 761 HD13 LEU 90 3HD1 LEU 90 9.691 8.916 -2.481 762 HD21 LEU 90 3HD2 LEU 90 12.942 9.985 -0.973 763 HD22 LEU 90 1HD2 LEU 90 12.340 11.485 -0.267 764 HD23 LEU 90 2HD2 LEU 90 12.595 11.372 -2.010 765 H GLU 91 H GLU 91 7.778 13.576 0.721 766 HA GLU 91 HA GLU 91 6.367 15.332 0.622 767 HB2 GLU 91 2HB GLU 91 8.543 16.699 -1.007 768 HB3 GLU 91 1HB GLU 91 7.203 17.508 -0.193 769 HG2 GLU 91 2HG GLU 91 8.071 16.713 1.991 770 HG3 GLU 91 1HG GLU 91 9.427 15.946 1.168 771 H LEU 92 H LEU 92 6.375 13.251 -1.422 772 HA LEU 92 HA LEU 92 5.210 14.233 -3.853 773 HB2 LEU 92 2HB LEU 92 4.987 11.522 -2.478 774 HB3 LEU 92 1HB LEU 92 4.562 11.851 -4.155 775 HG LEU 92 HG LEU 92 7.382 12.183 -3.052 776 HD11 LEU 92 1HD1 LEU 92 7.942 10.047 -4.116 777 HD12 LEU 92 2HD1 LEU 92 6.243 9.790 -4.523 778 HD13 LEU 92 3HD1 LEU 92 6.752 9.844 -2.834 779 HD21 LEU 92 3HD2 LEU 92 6.362 12.057 -5.913 780 HD22 LEU 92 1HD2 LEU 92 8.053 12.196 -5.422 781 HD23 LEU 92 2HD2 LEU 92 6.926 13.506 -5.072 782 H ILE 93 H ILE 93 4.100 13.227 -0.710 783 HA ILE 93 HA ILE 93 1.554 14.662 -1.075 784 HB ILE 93 HB ILE 93 0.406 13.034 0.482 785 HG12 ILE 93 2HG1 ILE 93 2.842 11.264 -0.027 786 HG13 ILE 93 1HG1 ILE 93 2.429 12.013 1.509 787 HG21 ILE 93 1HG2 ILE 93 -0.084 11.299 -1.204 788 HG22 ILE 93 2HG2 ILE 93 1.323 11.804 -2.140 789 HG23 ILE 93 3HG2 ILE 93 -0.033 12.912 -1.926 790 HD11 ILE 93 3HD1 ILE 93 1.879 9.660 1.499 791 HD12 ILE 93 1HD1 ILE 93 0.839 9.875 0.091 792 HD13 ILE 93 2HD1 ILE 93 0.409 10.625 1.633 793 H THR 94 H THR 94 0.885 15.724 0.885 794 HA THR 94 HA THR 94 3.075 16.418 2.698 795 HB THR 94 HB THR 94 1.416 18.111 3.597 796 HG1 THR 94 HG1 THR 94 -0.597 17.620 3.161 797 HG21 THR 94 3HG2 THR 94 1.806 18.197 0.580 798 HG22 THR 94 1HG2 THR 94 2.979 18.748 1.780 799 HG23 THR 94 2HG2 THR 94 1.427 19.574 1.618 800 H LYS 95 H LYS 95 0.197 14.506 2.656 801 HA LYS 95 HA LYS 95 0.590 13.552 5.404 802 HB2 LYS 95 2HB LYS 95 -1.038 15.438 5.563 803 HB3 LYS 95 1HB LYS 95 -2.057 14.680 4.345 804 HG2 LYS 95 2HG LYS 95 -2.417 12.761 5.911 805 HG3 LYS 95 1HG LYS 95 -1.476 13.622 7.136 806 HD2 LYS 95 2HD LYS 95 -4.095 14.552 5.882 807 HD3 LYS 95 1HD LYS 95 -3.885 13.927 7.519 808 HE2 LYS 95 2HE LYS 95 -2.730 16.523 6.422 809 HE3 LYS 95 1HE LYS 95 -4.064 16.365 7.562 810 HZ1 LYS 95 3HZ LYS 95 -1.246 15.576 8.059 811 HZ2 LYS 95 1HZ LYS 95 -2.523 15.359 9.146 812 HZ3 LYS 95 2HZ LYS 95 -2.041 16.918 8.709 813 H ASN 96 H ASN 96 -0.287 11.419 5.676 814 HA ASN 96 HA ASN 96 -1.198 10.104 3.186 815 HB2 ASN 96 2HB ASN 96 -0.339 7.972 4.130 816 HB3 ASN 96 1HB ASN 96 0.911 9.181 3.900 817 HD21 ASN 96 1HD2 ASN 96 2.267 8.147 5.307 818 HD22 ASN 96 2HD2 ASN 96 2.030 8.152 7.010 819 H VAL 97 H VAL 97 -2.769 8.495 3.341 820 HA VAL 97 HA VAL 97 -4.823 8.997 5.401 821 HB VAL 97 HB VAL 97 -6.412 8.034 3.699 822 HG11 VAL 97 1HG1 VAL 97 -4.778 10.419 2.721 823 HG12 VAL 97 2HG1 VAL 97 -6.119 10.480 3.870 824 HG13 VAL 97 3HG1 VAL 97 -6.414 10.006 2.196 825 HG21 VAL 97 3HG2 VAL 97 -5.652 7.687 1.373 826 HG22 VAL 97 1HG2 VAL 97 -4.775 6.614 2.469 827 HG23 VAL 97 2HG2 VAL 97 -3.994 8.065 1.844 828 H ALA 98 H ALA 98 -2.440 6.823 4.924 829 HA ALA 98 HA ALA 98 -3.934 4.334 5.368 830 HB1 ALA 98 3HB ALA 98 -0.955 4.852 5.085 831 HB2 ALA 98 1HB ALA 98 -2.050 4.277 3.825 832 HB3 ALA 98 2HB ALA 98 -1.711 3.261 5.222 833 H ALA 99 H ALA 99 -1.959 6.679 7.103 834 HA ALA 99 HA ALA 99 -1.851 5.266 9.603 835 HB1 ALA 99 3HB ALA 99 -1.534 8.238 9.059 836 HB2 ALA 99 1HB ALA 99 -0.238 7.040 9.040 837 HB3 ALA 99 2HB ALA 99 -1.079 7.402 10.552 838 H LYS 100 H LYS 100 -4.391 6.804 7.947 839 HA LYS 100 HA LYS 100 -6.046 7.400 10.268 840 HB2 LYS 100 2HB LYS 100 -6.827 7.137 7.334 841 HB3 LYS 100 1HB LYS 100 -7.821 7.828 8.609 842 HG2 LYS 100 2HG LYS 100 -5.196 9.013 7.625 843 HG3 LYS 100 1HG LYS 100 -6.792 9.504 7.068 844 HD2 LYS 100 2HD LYS 100 -6.369 11.150 8.656 845 HD3 LYS 100 1HD LYS 100 -7.238 9.975 9.638 846 HE2 LYS 100 2HE LYS 100 -5.042 9.103 10.459 847 HE3 LYS 100 1HE LYS 100 -4.220 10.358 9.531 848 HZ1 LYS 100 3HZ LYS 100 -5.340 12.015 10.842 849 HZ2 LYS 100 1HZ LYS 100 -4.493 10.952 11.845 850 HZ3 LYS 100 2HZ LYS 100 -6.176 10.826 11.711 851 H THR 101 H THR 101 -5.123 4.605 8.567 852 HA THR 101 HA THR 101 -7.648 3.136 9.037 853 HB THR 101 HB THR 101 -5.436 2.494 7.032 854 HG1 THR 101 HG1 THR 101 -6.347 4.417 6.392 855 HG21 THR 101 3HG2 THR 101 -6.882 0.548 7.619 856 HG22 THR 101 1HG2 THR 101 -7.150 1.075 5.956 857 HG23 THR 101 2HG2 THR 101 -8.313 1.499 7.212 858 H LYS 102 H LYS 102 -7.522 1.856 10.778 859 HA LYS 102 HA LYS 102 -5.025 0.617 11.683 860 HB2 LYS 102 2HB LYS 102 -6.312 -0.022 13.678 861 HB3 LYS 102 1HB LYS 102 -6.513 1.697 13.348 862 HG2 LYS 102 2HG LYS 102 -8.725 1.223 12.320 863 HG3 LYS 102 1HG LYS 102 -8.526 -0.490 12.705 864 HD2 LYS 102 2HD LYS 102 -8.454 0.078 15.125 865 HD3 LYS 102 1HD LYS 102 -8.674 1.785 14.730 866 HE2 LYS 102 2HE LYS 102 -10.889 1.294 13.778 867 HE3 LYS 102 1HE LYS 102 -10.660 -0.427 14.092 868 HZ1 LYS 102 3HZ LYS 102 -10.907 1.733 16.111 869 HZ2 LYS 102 1HZ LYS 102 -10.521 0.128 16.478 870 HZ3 LYS 102 2HZ LYS 102 -12.014 0.504 15.789 871 H LEU 103 H LEU 103 -5.108 -1.739 12.316 872 HA LEU 103 HA LEU 103 -5.962 -3.493 10.255 873 HB2 LEU 103 2HB LEU 103 -4.075 -4.112 11.660 874 HB3 LEU 103 1HB LEU 103 -5.059 -4.030 13.109 875 HG LEU 103 HG LEU 103 -6.326 -6.043 12.377 876 HD11 LEU 103 1HD1 LEU 103 -4.421 -6.155 10.034 877 HD12 LEU 103 2HD1 LEU 103 -6.156 -5.845 9.961 878 HD13 LEU 103 3HD1 LEU 103 -5.561 -7.416 10.491 879 HD21 LEU 103 3HD2 LEU 103 -3.333 -6.516 12.423 880 HD22 LEU 103 1HD2 LEU 103 -4.582 -7.715 12.763 881 HD23 LEU 103 2HD2 LEU 103 -4.375 -6.330 13.837 882 HA PRO 104 HA PRO 104 -10.345 -3.673 11.629 883 HB2 PRO 104 2HB PRO 104 -11.209 -5.465 9.717 884 HB3 PRO 104 1HB PRO 104 -10.981 -3.740 9.390 885 HG2 PRO 104 2HG PRO 104 -9.075 -6.031 8.875 886 HG3 PRO 104 1HG PRO 104 -9.563 -4.729 7.767 887 HD2 PRO 104 2HD PRO 104 -7.235 -4.585 9.079 888 HD3 PRO 104 1HD PRO 104 -8.223 -3.119 8.867 889 H LYS 105 H LYS 105 -11.556 -5.116 12.813 890 HA LYS 105 HA LYS 105 -10.086 -7.264 14.072 891 HB2 LYS 105 2HB LYS 105 -12.944 -6.325 14.573 892 HB3 LYS 105 1HB LYS 105 -11.990 -7.382 15.615 893 HG2 LYS 105 2HG LYS 105 -10.405 -5.543 16.054 894 HG3 LYS 105 1HG LYS 105 -11.326 -4.481 14.989 895 HD2 LYS 105 2HD LYS 105 -12.292 -5.707 17.603 896 HD3 LYS 105 1HD LYS 105 -11.857 -4.017 17.342 897 HE2 LYS 105 2HE LYS 105 -14.179 -5.470 16.018 898 HE3 LYS 105 1HE LYS 105 -14.310 -4.338 17.363 899 HZ1 LYS 105 3HZ LYS 105 -13.407 -2.606 15.912 900 HZ2 LYS 105 1HZ LYS 105 -14.836 -3.261 15.288 901 HZ3 LYS 105 2HZ LYS 105 -13.345 -3.703 14.626 902 H ALA 106 H ALA 106 -9.896 -9.032 12.850 903 HA ALA 106 HA ALA 106 -12.344 -10.425 11.918 904 HB1 ALA 106 3HB ALA 106 -9.512 -10.830 10.918 905 HB2 ALA 106 1HB ALA 106 -10.736 -9.859 10.102 906 HB3 ALA 106 2HB ALA 106 -10.965 -11.600 10.290 907 H ASP 107 H ASP 107 -11.270 -13.023 11.739 908 HA ASP 107 HA ASP 107 -11.724 -13.957 14.337 909 HB2 ASP 107 2HB ASP 107 -11.030 -16.185 13.512 910 HB3 ASP 107 1HB ASP 107 -12.107 -15.381 12.380 911 H LYS 108 H LYS 108 -10.400 -14.810 15.935 912 HA LYS 108 HA LYS 108 -8.207 -13.088 16.451 913 HB2 LYS 108 2HB LYS 108 -9.381 -15.385 18.051 914 HB3 LYS 108 1HB LYS 108 -8.045 -14.409 18.635 915 HG2 LYS 108 2HG LYS 108 -9.963 -13.550 19.690 916 HG3 LYS 108 1HG LYS 108 -9.563 -12.380 18.430 917 HD2 LYS 108 2HD LYS 108 -11.376 -13.192 17.029 918 HD3 LYS 108 1HD LYS 108 -11.688 -14.541 18.130 919 HE2 LYS 108 2HE LYS 108 -12.091 -11.589 18.741 920 HE3 LYS 108 1HE LYS 108 -13.356 -12.785 18.464 921 HZ1 LYS 108 3HZ LYS 108 -12.576 -13.966 20.453 922 HZ2 LYS 108 1HZ LYS 108 -13.089 -12.394 20.804 923 HZ3 LYS 108 2HZ LYS 108 -11.438 -12.746 20.732 924 H GLU 109 H GLU 109 -6.199 -13.353 15.794 925 HA GLU 109 HA GLU 109 -4.888 -16.008 15.976 926 HB2 GLU 109 2HB GLU 109 -4.134 -13.743 14.071 927 HB3 GLU 109 1HB GLU 109 -3.361 -15.324 14.175 928 HG2 GLU 109 2HG GLU 109 -5.646 -16.291 13.511 929 HG3 GLU 109 1HG GLU 109 -6.107 -14.639 13.106 930 H GLU 110 H GLU 110 -5.304 -14.066 18.059 931 HA GLU 110 HA GLU 110 -4.495 -12.577 19.491 932 HB2 GLU 110 2HB GLU 110 -1.833 -13.936 18.829 933 HB3 GLU 110 1HB GLU 110 -2.092 -12.843 20.190 934 HG2 GLU 110 2HG GLU 110 -3.698 -14.365 21.190 935 HG3 GLU 110 1HG GLU 110 -3.621 -15.435 19.791 936 H LEU 111 H LEU 111 -1.468 -12.236 17.820 937 HA LEU 111 HA LEU 111 -0.429 -10.754 16.551 938 HB2 LEU 111 2HB LEU 111 -3.217 -9.970 15.604 939 HB3 LEU 111 1HB LEU 111 -1.728 -9.355 14.894 940 HG LEU 111 HG LEU 111 -2.673 -12.253 14.872 941 HD11 LEU 111 1HD1 LEU 111 -3.898 -10.827 13.314 942 HD12 LEU 111 2HD1 LEU 111 -2.871 -11.968 12.451 943 HD13 LEU 111 3HD1 LEU 111 -2.383 -10.274 12.592 944 HD21 LEU 111 3HD2 LEU 111 -0.109 -11.102 13.709 945 HD22 LEU 111 1HD2 LEU 111 -0.708 -12.743 13.449 946 HD23 LEU 111 2HD2 LEU 111 -0.234 -12.226 15.062 947 H GLU 112 H GLU 112 -3.142 -9.194 18.223 948 HA GLU 112 HA GLU 112 -1.761 -6.597 18.187 949 HB2 GLU 112 2HB GLU 112 -4.701 -7.202 18.722 950 HB3 GLU 112 1HB GLU 112 -3.975 -5.604 18.548 951 HG2 GLU 112 2HG GLU 112 -3.542 -6.087 16.170 952 HG3 GLU 112 1HG GLU 112 -4.281 -7.682 16.362 953 H HIS 113 H HIS 113 -1.590 -5.413 20.087 954 HA HIS 113 HA HIS 113 -2.715 -6.456 22.582 955 HB2 HIS 113 2HB HIS 113 -0.469 -5.252 22.552 956 HB3 HIS 113 1HB HIS 113 -1.314 -3.787 22.071 957 HD1 HIS 113 HD1 HIS 113 -1.889 -2.289 23.978 958 HD2 HIS 113 HD2 HIS 113 -1.553 -6.257 25.187 959 HE1 HIS 113 HE1 HIS 113 -2.199 -2.268 26.476 960 HE2 HIS 113 HE2 HIS 113 -1.886 -4.660 27.198 961 H HIS 114 H HIS 114 -4.879 -6.395 22.374 962 HA HIS 114 HA HIS 114 -6.355 -5.030 20.467 963 HB2 HIS 114 2HB HIS 114 -7.323 -6.232 23.098 964 HB3 HIS 114 1HB HIS 114 -8.401 -5.690 21.815 965 HD1 HIS 114 HD1 HIS 114 -8.753 -7.253 19.836 966 HD2 HIS 114 HD2 HIS 114 -5.818 -8.582 22.451 967 HE1 HIS 114 HE1 HIS 114 -8.186 -9.585 19.084 968 HE2 HIS 114 HE2 HIS 114 -6.531 -10.417 20.789 969 H HIS 115 H HIS 115 -6.008 -4.170 23.915 970 HA HIS 115 HA HIS 115 -7.185 -1.549 23.667 971 HB2 HIS 115 2HB HIS 115 -6.916 -2.933 25.819 972 HB3 HIS 115 1HB HIS 115 -5.201 -2.555 25.766 973 HD1 HIS 115 HD1 HIS 115 -8.523 -1.128 26.606 974 HD2 HIS 115 HD2 HIS 115 -4.567 0.121 26.498 975 HE1 HIS 115 HE1 HIS 115 -8.453 1.007 27.924 976 HE2 HIS 115 HE2 HIS 115 -6.027 1.665 27.965 977 H HIS 116 H HIS 116 -6.192 -0.442 21.961 978 HA HIS 116 HA HIS 116 -3.363 -0.828 21.346 979 HB2 HIS 116 2HB HIS 116 -5.645 0.580 19.926 980 HB3 HIS 116 1HB HIS 116 -3.998 0.667 19.326 981 HD1 HIS 116 HD1 HIS 116 -2.905 -1.787 18.779 982 HD2 HIS 116 HD2 HIS 116 -7.051 -1.537 18.901 983 HE1 HIS 116 HE1 HIS 116 -3.737 -3.737 17.440 984 HE2 HIS 116 HE2 HIS 116 -6.218 -3.415 17.321 985 H HIS 117 H HIS 117 -3.526 0.530 23.715 986 HA HIS 117 HA HIS 117 -1.915 2.793 23.410 987 HB2 HIS 117 2HB HIS 117 -3.420 4.574 24.239 988 HB3 HIS 117 1HB HIS 117 -4.010 3.935 22.716 989 HD1 HIS 117 HD1 HIS 117 -5.106 4.755 26.051 990 HD2 HIS 117 HD2 HIS 117 -6.289 2.044 23.121 991 HE1 HIS 117 HE1 HIS 117 -7.459 4.109 26.643 992 HE2 HIS 117 HE2 HIS 117 -8.207 2.601 24.774 993 H HIS 118 H HIS 118 -1.813 3.975 25.739 994 HA HIS 118 HA HIS 118 -1.986 1.898 27.829 995 HB2 HIS 118 2HB HIS 118 -0.489 4.565 27.741 996 HB3 HIS 118 1HB HIS 118 -0.536 3.508 29.148 997 HD1 HIS 118 HD1 HIS 118 1.479 2.103 29.344 998 HD2 HIS 118 HD2 HIS 118 0.651 2.999 25.368 999 HE1 HIS 118 HE1 HIS 118 3.339 1.060 28.019 1000 HE2 HIS 118 HE2 HIS 118 2.738 1.484 25.613 Start of MODEL 7 1 H1 MET 1 1H MET 1 12.750 21.286 -11.899 2 H2 MET 1 2H MET 1 11.397 21.868 -12.728 3 H3 MET 1 3H MET 1 12.453 20.793 -13.483 4 HA MET 1 HA MET 1 11.882 19.060 -11.978 5 HB2 MET 1 2HB MET 1 9.916 21.084 -10.817 6 HB3 MET 1 1HB MET 1 9.947 19.370 -10.408 7 HG2 MET 1 2HG MET 1 11.014 20.668 -8.662 8 HG3 MET 1 1HG MET 1 12.209 19.651 -9.459 9 HE1 MET 1 3HE MET 1 10.706 23.106 -10.820 10 HE2 MET 1 1HE MET 1 11.890 24.233 -10.155 11 HE3 MET 1 2HE MET 1 10.816 23.344 -9.073 12 H GLU 2 H GLU 2 10.502 17.608 -12.896 13 HA GLU 2 HA GLU 2 8.188 18.540 -14.485 14 HB2 GLU 2 2HB GLU 2 10.135 16.315 -15.257 15 HB3 GLU 2 1HB GLU 2 8.670 16.748 -16.138 16 HG2 GLU 2 2HG GLU 2 9.652 18.953 -16.667 17 HG3 GLU 2 1HG GLU 2 11.121 18.502 -15.793 18 HA PRO 3 HA PRO 3 6.546 15.423 -11.504 19 HB2 PRO 3 2HB PRO 3 3.891 16.070 -11.858 20 HB3 PRO 3 1HB PRO 3 4.972 16.954 -10.775 21 HG2 PRO 3 2HG PRO 3 4.118 17.650 -13.581 22 HG3 PRO 3 1HG PRO 3 4.253 18.708 -12.159 23 HD2 PRO 3 2HD PRO 3 6.175 18.624 -14.083 24 HD3 PRO 3 1HD PRO 3 6.568 18.919 -12.374 25 H SER 4 H SER 4 6.358 13.347 -12.134 26 HA SER 4 HA SER 4 5.857 12.565 -14.845 27 HB2 SER 4 2HB SER 4 6.131 10.876 -12.326 28 HB3 SER 4 1HB SER 4 6.105 10.230 -13.971 29 HG SER 4 HG SER 4 7.980 12.184 -13.127 30 H LYS 5 H LYS 5 3.686 13.430 -12.459 31 HA LYS 5 HA LYS 5 1.529 13.113 -11.929 32 HB2 LYS 5 2HB LYS 5 1.215 12.014 -14.754 33 HB3 LYS 5 1HB LYS 5 -0.074 12.658 -13.738 34 HG2 LYS 5 2HG LYS 5 2.275 14.242 -14.852 35 HG3 LYS 5 1HG LYS 5 0.627 14.260 -15.491 36 HD2 LYS 5 2HD LYS 5 1.365 15.132 -12.663 37 HD3 LYS 5 1HD LYS 5 1.244 16.241 -14.033 38 HE2 LYS 5 2HE LYS 5 -1.022 14.510 -12.970 39 HE3 LYS 5 1HE LYS 5 -0.821 16.237 -12.670 40 HZ1 LYS 5 3HZ LYS 5 -2.377 15.877 -14.442 41 HZ2 LYS 5 1HZ LYS 5 -1.257 14.965 -15.313 42 HZ3 LYS 5 2HZ LYS 5 -0.990 16.614 -15.062 43 H LEU 6 H LEU 6 2.771 11.551 -10.618 44 HA LEU 6 HA LEU 6 3.141 8.869 -11.412 45 HB2 LEU 6 2HB LEU 6 4.691 10.153 -9.976 46 HB3 LEU 6 1HB LEU 6 3.487 10.181 -8.698 47 HG LEU 6 HG LEU 6 3.658 7.734 -8.438 48 HD11 LEU 6 1HD1 LEU 6 5.383 6.433 -9.635 49 HD12 LEU 6 2HD1 LEU 6 5.760 7.837 -10.637 50 HD13 LEU 6 3HD1 LEU 6 4.169 7.077 -10.743 51 HD21 LEU 6 3HD2 LEU 6 5.936 7.647 -7.502 52 HD22 LEU 6 1HD2 LEU 6 5.133 9.166 -7.101 53 HD23 LEU 6 2HD2 LEU 6 6.359 9.125 -8.371 54 H SER 7 H SER 7 1.644 7.333 -11.429 55 HA SER 7 HA SER 7 -0.582 7.171 -9.603 56 HB2 SER 7 2HB SER 7 -0.991 4.959 -10.706 57 HB3 SER 7 1HB SER 7 -0.822 6.275 -11.874 58 HG SER 7 HG SER 7 1.578 5.432 -11.655 59 H TYR 8 H TYR 8 -0.855 5.632 -7.973 60 HA TYR 8 HA TYR 8 1.367 5.299 -6.278 61 HB2 TYR 8 2HB TYR 8 -0.966 5.563 -5.499 62 HB3 TYR 8 1HB TYR 8 -1.371 3.978 -6.151 63 HD1 TYR 8 HD1 TYR 8 1.485 5.251 -4.038 64 HD2 TYR 8 HD2 TYR 8 -1.753 2.490 -4.374 65 HE1 TYR 8 HE1 TYR 8 2.073 4.289 -1.860 66 HE2 TYR 8 HE2 TYR 8 -1.165 1.541 -2.195 67 HH TYR 8 HH TYR 8 0.821 1.357 -0.777 68 H GLY 9 H GLY 9 -0.061 3.172 -8.669 69 HA2 GLY 9 2HA GLY 9 1.002 0.677 -7.851 70 HA3 GLY 9 1HA GLY 9 0.477 1.098 -9.475 71 H GLU 10 H GLU 10 2.198 3.138 -10.125 72 HA GLU 10 HA GLU 10 4.632 1.763 -10.789 73 HB2 GLU 10 2HB GLU 10 3.895 4.698 -11.131 74 HB3 GLU 10 1HB GLU 10 5.261 3.885 -11.895 75 HG2 GLU 10 2HG GLU 10 2.320 3.311 -12.383 76 HG3 GLU 10 1HG GLU 10 3.401 4.193 -13.462 77 H TYR 11 H TYR 11 3.643 4.171 -8.418 78 HA TYR 11 HA TYR 11 6.151 4.963 -7.437 79 HB2 TYR 11 2HB TYR 11 4.178 6.247 -6.817 80 HB3 TYR 11 1HB TYR 11 3.440 4.846 -6.046 81 HD1 TYR 11 HD1 TYR 11 6.571 6.932 -5.815 82 HD2 TYR 11 HD2 TYR 11 3.629 4.669 -3.691 83 HE1 TYR 11 HE1 TYR 11 7.654 7.509 -3.699 84 HE2 TYR 11 HE2 TYR 11 4.717 5.258 -1.568 85 HH TYR 11 HH TYR 11 6.849 5.967 -0.753 86 H LEU 12 H LEU 12 4.017 2.281 -6.503 87 HA LEU 12 HA LEU 12 5.455 1.341 -4.268 88 HB2 LEU 12 2HB LEU 12 3.539 -0.037 -6.167 89 HB3 LEU 12 1HB LEU 12 4.230 -0.865 -4.778 90 HG LEU 12 HG LEU 12 2.569 1.673 -4.562 91 HD11 LEU 12 1HD1 LEU 12 0.743 0.221 -3.789 92 HD12 LEU 12 2HD1 LEU 12 1.706 -1.204 -4.184 93 HD13 LEU 12 3HD1 LEU 12 1.185 -0.105 -5.463 94 HD21 LEU 12 3HD2 LEU 12 4.089 1.373 -2.665 95 HD22 LEU 12 1HD2 LEU 12 3.536 -0.292 -2.444 96 HD23 LEU 12 2HD2 LEU 12 2.434 1.055 -2.158 97 H GLU 13 H GLU 13 5.805 0.716 -7.699 98 HA GLU 13 HA GLU 13 7.556 -1.518 -7.514 99 HB2 GLU 13 2HB GLU 13 7.068 0.461 -9.784 100 HB3 GLU 13 1HB GLU 13 8.023 -1.017 -9.944 101 HG2 GLU 13 2HG GLU 13 5.094 -0.961 -9.119 102 HG3 GLU 13 1HG GLU 13 5.656 -1.202 -10.774 103 H SER 14 H SER 14 8.140 1.967 -7.957 104 HA SER 14 HA SER 14 11.003 1.763 -8.152 105 HB2 SER 14 2HB SER 14 10.919 4.252 -7.985 106 HB3 SER 14 1HB SER 14 9.750 3.638 -9.158 107 HG SER 14 HG SER 14 9.317 4.752 -6.617 108 H TRP 15 H TRP 15 8.738 2.649 -5.585 109 HA TRP 15 HA TRP 15 10.478 3.150 -3.445 110 HB2 TRP 15 2HB TRP 15 8.159 3.778 -3.225 111 HB3 TRP 15 1HB TRP 15 7.605 2.148 -3.575 112 HD1 TRP 15 HD1 TRP 15 9.202 4.201 -0.709 113 HE1 TRP 15 HE1 TRP 15 8.704 3.001 1.504 114 HE3 TRP 15 HE3 TRP 15 7.030 -0.063 -2.541 115 HZ2 TRP 15 HZ2 TRP 15 7.560 0.579 2.381 116 HZ3 TRP 15 HZ3 TRP 15 6.268 -1.780 -0.945 117 HH2 TRP 15 HH2 TRP 15 6.528 -1.458 1.471 118 H PHE 16 H PHE 16 9.067 0.136 -4.669 119 HA PHE 16 HA PHE 16 9.996 -1.632 -2.683 120 HB2 PHE 16 2HB PHE 16 8.253 -2.337 -4.220 121 HB3 PHE 16 1HB PHE 16 9.299 -2.102 -5.616 122 HD1 PHE 16 HD2 PHE 16 9.077 -4.069 -2.441 123 HD2 PHE 16 HD1 PHE 16 10.478 -3.953 -6.477 124 HE1 PHE 16 HE2 PHE 16 9.853 -6.367 -2.258 125 HE2 PHE 16 HE1 PHE 16 11.258 -6.265 -6.270 126 HZ PHE 16 HZ PHE 16 10.943 -7.479 -4.157 127 H ASN 17 H ASN 17 11.434 -0.557 -5.744 128 HA ASN 17 HA ASN 17 13.630 -2.311 -5.866 129 HB2 ASN 17 2HB ASN 17 13.255 0.466 -7.051 130 HB3 ASN 17 1HB ASN 17 14.608 -0.587 -7.459 131 HD21 ASN 17 1HD2 ASN 17 12.404 0.499 -9.113 132 HD22 ASN 17 2HD2 ASN 17 11.697 -0.878 -9.883 133 H THR 18 H THR 18 13.343 0.939 -4.398 134 HA THR 18 HA THR 18 16.057 0.894 -3.395 135 HB THR 18 HB THR 18 14.985 3.055 -3.918 136 HG1 THR 18 HG1 THR 18 15.434 3.046 -1.120 137 HG21 THR 18 3HG2 THR 18 12.663 2.595 -3.195 138 HG22 THR 18 1HG2 THR 18 13.296 4.047 -2.411 139 HG23 THR 18 2HG2 THR 18 13.196 2.531 -1.513 140 H LYS 19 H LYS 19 12.953 -0.231 -2.231 141 HA LYS 19 HA LYS 19 13.508 -0.195 0.573 142 HB2 LYS 19 2HB LYS 19 11.196 -0.189 -0.329 143 HB3 LYS 19 1HB LYS 19 11.430 -1.795 -0.999 144 HG2 LYS 19 2HG LYS 19 10.083 -1.860 1.053 145 HG3 LYS 19 1HG LYS 19 11.595 -2.741 1.262 146 HD2 LYS 19 2HD LYS 19 11.058 -1.403 3.266 147 HD3 LYS 19 1HD LYS 19 12.555 -0.849 2.518 148 HE2 LYS 19 2HE LYS 19 11.415 1.072 1.543 149 HE3 LYS 19 1HE LYS 19 9.853 0.481 2.102 150 HZ1 LYS 19 3HZ LYS 19 10.675 2.203 3.527 151 HZ2 LYS 19 1HZ LYS 19 12.095 1.342 3.824 152 HZ3 LYS 19 2HZ LYS 19 10.613 0.742 4.370 153 H ARG 20 H ARG 20 14.051 -2.527 -2.025 154 HA ARG 20 HA ARG 20 14.632 -4.857 -0.614 155 HB2 ARG 20 2HB ARG 20 15.984 -3.839 -3.135 156 HB3 ARG 20 1HB ARG 20 16.065 -5.502 -2.551 157 HG2 ARG 20 2HG ARG 20 13.675 -5.792 -2.934 158 HG3 ARG 20 1HG ARG 20 13.504 -4.089 -3.376 159 HD2 ARG 20 2HD ARG 20 15.024 -6.239 -4.893 160 HD3 ARG 20 1HD ARG 20 13.561 -5.391 -5.411 161 HE ARG 20 HE ARG 20 15.578 -3.484 -4.950 162 HH11 ARG 20 1HH1 ARG 20 14.820 -5.976 -7.311 163 HH12 ARG 20 2HH1 ARG 20 15.836 -5.279 -8.534 164 HH21 ARG 20 1HH2 ARG 20 16.897 -2.594 -6.533 165 HH22 ARG 20 2HH2 ARG 20 17.018 -3.352 -8.091 166 H HIS 21 H HIS 21 16.582 -1.936 -0.866 167 HA HIS 21 HA HIS 21 19.077 -2.961 -0.004 168 HB2 HIS 21 2HB HIS 21 17.891 -0.163 0.255 169 HB3 HIS 21 1HB HIS 21 19.541 -0.550 0.741 170 HD1 HIS 21 HD1 HIS 21 21.287 -0.709 -1.085 171 HD2 HIS 21 HD2 HIS 21 17.428 -0.321 -2.575 172 HE1 HIS 21 HE1 HIS 21 21.558 -0.269 -3.543 173 HE2 HIS 21 HE2 HIS 21 19.211 -0.031 -4.426 174 H SER 22 H SER 22 16.156 -2.216 1.768 175 HA SER 22 HA SER 22 17.462 -2.605 4.384 176 HB2 SER 22 2HB SER 22 14.617 -1.731 3.686 177 HB3 SER 22 1HB SER 22 15.230 -1.937 5.331 178 HG SER 22 HG SER 22 16.471 -0.243 3.436 179 H VAL 23 H VAL 23 14.623 -3.888 2.571 180 HA VAL 23 HA VAL 23 14.418 -6.174 4.361 181 HB VAL 23 HB VAL 23 12.371 -6.783 3.127 182 HG11 VAL 23 1HG1 VAL 23 12.415 -3.807 3.810 183 HG12 VAL 23 2HG1 VAL 23 12.162 -5.132 4.952 184 HG13 VAL 23 3HG1 VAL 23 10.971 -4.821 3.686 185 HG21 VAL 23 3HG2 VAL 23 12.938 -4.421 1.284 186 HG22 VAL 23 1HG2 VAL 23 11.470 -5.401 1.281 187 HG23 VAL 23 2HG2 VAL 23 13.013 -6.124 0.831 188 H GLY 24 H GLY 24 14.890 -8.278 3.902 189 HA2 GLY 24 2HA GLY 24 16.824 -8.944 1.952 190 HA3 GLY 24 1HA GLY 24 15.924 -10.083 2.941 191 H ILE 25 H ILE 25 16.663 -10.305 0.109 192 HA ILE 25 HA ILE 25 14.699 -9.533 -1.724 193 HB ILE 25 HB ILE 25 16.761 -11.778 -1.855 194 HG12 ILE 25 2HG1 ILE 25 17.751 -9.544 -1.715 195 HG13 ILE 25 1HG1 ILE 25 18.003 -10.178 -3.336 196 HG21 ILE 25 1HG2 ILE 25 16.441 -11.885 -4.314 197 HG22 ILE 25 2HG2 ILE 25 15.063 -10.792 -4.183 198 HG23 ILE 25 3HG2 ILE 25 14.993 -12.391 -3.441 199 HD11 ILE 25 3HD1 ILE 25 17.439 -7.848 -3.415 200 HD12 ILE 25 1HD1 ILE 25 15.951 -8.130 -2.514 201 HD13 ILE 25 2HD1 ILE 25 16.138 -8.788 -4.142 202 H GLN 26 H GLN 26 14.924 -12.509 0.190 203 HA GLN 26 HA GLN 26 12.822 -13.949 -1.034 204 HB2 GLN 26 2HB GLN 26 12.763 -15.301 1.039 205 HB3 GLN 26 1HB GLN 26 14.401 -15.060 0.448 206 HG2 GLN 26 2HG GLN 26 14.810 -13.366 2.177 207 HG3 GLN 26 1HG GLN 26 13.147 -13.534 2.751 208 HE21 GLN 26 1HE2 GLN 26 16.316 -14.979 2.673 209 HE22 GLN 26 2HE2 GLN 26 16.012 -16.199 3.862 210 H THR 27 H THR 27 12.828 -11.757 1.774 211 HA THR 27 HA THR 27 10.034 -11.882 2.340 212 HB THR 27 HB THR 27 12.031 -9.708 3.126 213 HG1 THR 27 HG1 THR 27 11.811 -12.351 3.873 214 HG21 THR 27 3HG2 THR 27 9.467 -10.625 4.501 215 HG22 THR 27 1HG2 THR 27 9.674 -9.101 3.625 216 HG23 THR 27 2HG2 THR 27 10.582 -9.400 5.109 217 H ALA 28 H ALA 28 12.038 -9.919 0.301 218 HA ALA 28 HA ALA 28 10.388 -7.651 -0.070 219 HB1 ALA 28 3HB ALA 28 12.831 -7.619 -0.479 220 HB2 ALA 28 1HB ALA 28 11.942 -7.103 -1.917 221 HB3 ALA 28 2HB ALA 28 12.626 -8.727 -1.836 222 H LYS 29 H LYS 29 11.012 -10.544 -2.051 223 HA LYS 29 HA LYS 29 9.310 -10.004 -4.213 224 HB2 LYS 29 2HB LYS 29 11.138 -11.713 -4.156 225 HB3 LYS 29 1HB LYS 29 10.161 -12.716 -3.099 226 HG2 LYS 29 2HG LYS 29 9.140 -11.941 -5.847 227 HG3 LYS 29 1HG LYS 29 10.309 -13.250 -5.675 228 HD2 LYS 29 2HD LYS 29 7.529 -13.142 -4.416 229 HD3 LYS 29 1HD LYS 29 8.018 -14.141 -5.789 230 HE2 LYS 29 2HE LYS 29 9.056 -14.375 -2.937 231 HE3 LYS 29 1HE LYS 29 7.918 -15.469 -3.724 232 HZ1 LYS 29 3HZ LYS 29 10.123 -16.398 -3.747 233 HZ2 LYS 29 1HZ LYS 29 10.749 -15.033 -4.523 234 HZ3 LYS 29 2HZ LYS 29 9.657 -16.038 -5.330 235 H VAL 30 H VAL 30 8.628 -11.319 -1.032 236 HA VAL 30 HA VAL 30 5.980 -12.308 -1.586 237 HB VAL 30 HB VAL 30 7.265 -11.619 1.100 238 HG11 VAL 30 1HG1 VAL 30 4.822 -13.341 0.504 239 HG12 VAL 30 2HG1 VAL 30 4.810 -11.763 1.296 240 HG13 VAL 30 3HG1 VAL 30 5.572 -13.143 2.089 241 HG21 VAL 30 3HG2 VAL 30 7.776 -14.025 1.286 242 HG22 VAL 30 1HG2 VAL 30 8.555 -13.323 -0.130 243 HG23 VAL 30 2HG2 VAL 30 7.106 -14.306 -0.324 244 H LEU 31 H LEU 31 7.336 -9.321 -0.175 245 HA LEU 31 HA LEU 31 4.900 -7.990 0.434 246 HB2 LEU 31 2HB LEU 31 7.615 -6.773 -0.225 247 HB3 LEU 31 1HB LEU 31 6.267 -5.906 0.499 248 HG LEU 31 HG LEU 31 7.865 -8.155 1.787 249 HD11 LEU 31 1HD1 LEU 31 7.694 -5.214 2.515 250 HD12 LEU 31 2HD1 LEU 31 9.060 -6.015 1.734 251 HD13 LEU 31 3HD1 LEU 31 8.609 -6.451 3.380 252 HD21 LEU 31 3HD2 LEU 31 5.478 -6.655 2.919 253 HD22 LEU 31 1HD2 LEU 31 6.506 -7.776 3.816 254 HD23 LEU 31 2HD2 LEU 31 5.528 -8.364 2.472 255 H LYS 32 H LYS 32 6.930 -8.051 -2.449 256 HA LYS 32 HA LYS 32 5.497 -6.152 -4.019 257 HB2 LYS 32 2HB LYS 32 7.852 -6.842 -4.484 258 HB3 LYS 32 1HB LYS 32 7.292 -8.456 -4.903 259 HG2 LYS 32 2HG LYS 32 5.930 -7.371 -6.770 260 HG3 LYS 32 1HG LYS 32 6.779 -5.867 -6.400 261 HD2 LYS 32 2HD LYS 32 8.941 -6.964 -6.900 262 HD3 LYS 32 1HD LYS 32 8.098 -8.474 -7.259 263 HE2 LYS 32 2HE LYS 32 8.669 -7.318 -9.331 264 HE3 LYS 32 1HE LYS 32 6.919 -7.336 -9.131 265 HZ1 LYS 32 3HZ LYS 32 7.729 -5.188 -9.857 266 HZ2 LYS 32 1HZ LYS 32 8.700 -5.061 -8.486 267 HZ3 LYS 32 2HZ LYS 32 7.018 -5.067 -8.332 268 H GLY 33 H GLY 33 5.380 -9.638 -3.574 269 HA2 GLY 33 2HA GLY 33 3.463 -10.379 -5.487 270 HA3 GLY 33 1HA GLY 33 3.785 -11.235 -3.983 271 H TYR 34 H TYR 34 3.101 -8.869 -2.350 272 HA TYR 34 HA TYR 34 0.218 -9.081 -2.255 273 HB2 TYR 34 2HB TYR 34 2.178 -7.374 -0.671 274 HB3 TYR 34 1HB TYR 34 0.450 -7.477 -0.340 275 HD1 TYR 34 HD2 TYR 34 -0.004 -10.427 -0.699 276 HD2 TYR 34 HD1 TYR 34 3.135 -8.326 1.311 277 HE1 TYR 34 HE2 TYR 34 0.365 -12.367 0.749 278 HE2 TYR 34 HE1 TYR 34 3.488 -10.271 2.768 279 HH TYR 34 HH TYR 34 2.175 -13.327 2.106 280 H LEU 35 H LEU 35 2.640 -6.714 -3.320 281 HA LEU 35 HA LEU 35 1.001 -4.438 -3.446 282 HB2 LEU 35 2HB LEU 35 3.505 -5.114 -5.019 283 HB3 LEU 35 1HB LEU 35 2.727 -3.540 -5.076 284 HG LEU 35 HG LEU 35 3.979 -4.818 -2.616 285 HD11 LEU 35 1HD1 LEU 35 4.915 -2.452 -4.268 286 HD12 LEU 35 2HD1 LEU 35 5.681 -4.041 -4.179 287 HD13 LEU 35 3HD1 LEU 35 5.641 -3.005 -2.754 288 HD21 LEU 35 3HD2 LEU 35 3.529 -2.635 -1.511 289 HD22 LEU 35 1HD2 LEU 35 2.064 -3.525 -1.922 290 HD23 LEU 35 2HD2 LEU 35 2.572 -2.153 -2.909 291 H ASN 36 H ASN 36 1.992 -6.530 -6.221 292 HA ASN 36 HA ASN 36 0.258 -5.155 -8.032 293 HB2 ASN 36 2HB ASN 36 0.873 -6.858 -9.710 294 HB3 ASN 36 1HB ASN 36 2.284 -6.213 -8.885 295 HD21 ASN 36 1HD2 ASN 36 3.454 -7.551 -7.477 296 HD22 ASN 36 2HD2 ASN 36 3.283 -9.270 -7.498 297 H SER 37 H SER 37 -0.190 -7.968 -6.006 298 HA SER 37 HA SER 37 -2.463 -9.021 -7.466 299 HB2 SER 37 2HB SER 37 -0.872 -10.481 -6.221 300 HB3 SER 37 1HB SER 37 -1.406 -9.763 -4.702 301 HG SER 37 HG SER 37 -3.349 -10.832 -6.403 302 H ARG 38 H ARG 38 -1.977 -7.236 -4.439 303 HA ARG 38 HA ARG 38 -4.858 -7.159 -3.879 304 HB2 ARG 38 2HB ARG 38 -2.486 -6.403 -2.134 305 HB3 ARG 38 1HB ARG 38 -4.169 -6.362 -1.620 306 HG2 ARG 38 2HG ARG 38 -2.755 -8.900 -2.521 307 HG3 ARG 38 1HG ARG 38 -2.825 -8.363 -0.841 308 HD2 ARG 38 2HD ARG 38 -4.542 -10.048 -1.229 309 HD3 ARG 38 1HD ARG 38 -5.309 -8.491 -0.917 310 HE ARG 38 HE ARG 38 -4.953 -9.436 -3.694 311 HH11 ARG 38 1HH1 ARG 38 -7.118 -8.630 -1.064 312 HH12 ARG 38 2HH1 ARG 38 -8.519 -8.562 -2.076 313 HH21 ARG 38 1HH2 ARG 38 -6.802 -9.315 -5.016 314 HH22 ARG 38 2HH2 ARG 38 -8.346 -8.963 -4.306 315 H ILE 39 H ILE 39 -2.076 -4.864 -3.959 316 HA ILE 39 HA ILE 39 -3.860 -2.648 -3.443 317 HB ILE 39 HB ILE 39 -0.840 -2.628 -3.903 318 HG12 ILE 39 2HG1 ILE 39 -0.873 -1.991 -1.352 319 HG13 ILE 39 1HG1 ILE 39 -2.502 -2.645 -1.338 320 HG21 ILE 39 1HG2 ILE 39 -0.907 -0.321 -2.984 321 HG22 ILE 39 2HG2 ILE 39 -2.671 -0.384 -2.978 322 HG23 ILE 39 3HG2 ILE 39 -1.788 -0.463 -4.505 323 HD11 ILE 39 3HD1 ILE 39 -1.555 -4.825 -2.052 324 HD12 ILE 39 1HD1 ILE 39 -0.961 -4.250 -0.494 325 HD13 ILE 39 2HD1 ILE 39 0.053 -4.110 -1.926 326 H ILE 40 H ILE 40 -1.959 -3.750 -6.291 327 HA ILE 40 HA ILE 40 -2.181 -1.381 -7.785 328 HB ILE 40 HB ILE 40 -1.305 -4.142 -8.432 329 HG12 ILE 40 2HG1 ILE 40 0.602 -2.948 -9.504 330 HG13 ILE 40 1HG1 ILE 40 -0.220 -1.412 -9.280 331 HG21 ILE 40 1HG2 ILE 40 -2.243 -2.392 -10.728 332 HG22 ILE 40 2HG2 ILE 40 -2.886 -3.972 -10.275 333 HG23 ILE 40 3HG2 ILE 40 -1.241 -3.839 -10.899 334 HD11 ILE 40 3HD1 ILE 40 1.537 -1.704 -7.662 335 HD12 ILE 40 1HD1 ILE 40 0.822 -3.217 -7.109 336 HD13 ILE 40 2HD1 ILE 40 -0.026 -1.692 -6.847 337 HA PRO 41 HA PRO 41 -6.279 -3.088 -9.891 338 HB2 PRO 41 2HB PRO 41 -7.810 -4.817 -8.361 339 HB3 PRO 41 1HB PRO 41 -6.659 -5.355 -9.592 340 HG2 PRO 41 2HG PRO 41 -6.271 -5.135 -6.605 341 HG3 PRO 41 1HG PRO 41 -5.845 -6.476 -7.692 342 HD2 PRO 41 2HD PRO 41 -3.973 -4.727 -6.886 343 HD3 PRO 41 1HD PRO 41 -3.959 -5.366 -8.545 344 H SER 42 H SER 42 -5.726 -2.164 -6.601 345 HA SER 42 HA SER 42 -8.455 -1.066 -6.224 346 HB2 SER 42 2HB SER 42 -6.268 -1.419 -4.126 347 HB3 SER 42 1HB SER 42 -7.985 -1.102 -3.846 348 HG SER 42 HG SER 42 -7.129 -3.394 -5.252 349 H LEU 43 H LEU 43 -5.180 -0.104 -5.197 350 HA LEU 43 HA LEU 43 -5.830 2.752 -5.351 351 HB2 LEU 43 2HB LEU 43 -3.544 1.274 -3.988 352 HB3 LEU 43 1HB LEU 43 -3.863 2.996 -3.843 353 HG LEU 43 HG LEU 43 -5.802 0.850 -2.877 354 HD11 LEU 43 1HD1 LEU 43 -3.717 0.619 -1.623 355 HD12 LEU 43 2HD1 LEU 43 -4.984 1.287 -0.598 356 HD13 LEU 43 3HD1 LEU 43 -3.722 2.345 -1.241 357 HD21 LEU 43 3HD2 LEU 43 -5.651 3.828 -2.300 358 HD22 LEU 43 1HD2 LEU 43 -6.804 2.696 -1.584 359 HD23 LEU 43 2HD2 LEU 43 -6.847 3.018 -3.315 360 H GLY 44 H GLY 44 -4.087 0.365 -7.059 361 HA2 GLY 44 2HA GLY 44 -1.595 1.569 -7.572 362 HA3 GLY 44 1HA GLY 44 -2.331 0.290 -8.521 363 H ASN 45 H ASN 45 -4.443 1.391 -9.718 364 HA ASN 45 HA ASN 45 -3.302 3.040 -11.792 365 HB2 ASN 45 2HB ASN 45 -6.232 2.268 -11.401 366 HB3 ASN 45 1HB ASN 45 -5.478 2.835 -12.894 367 HD21 ASN 45 1HD2 ASN 45 -5.717 0.168 -10.630 368 HD22 ASN 45 2HD2 ASN 45 -5.074 -1.037 -11.685 369 H ILE 46 H ILE 46 -5.046 3.645 -8.861 370 HA ILE 46 HA ILE 46 -5.915 6.324 -9.418 371 HB ILE 46 HB ILE 46 -5.343 4.946 -6.742 372 HG12 ILE 46 2HG1 ILE 46 -7.994 5.380 -8.203 373 HG13 ILE 46 1HG1 ILE 46 -7.157 3.839 -8.034 374 HG21 ILE 46 1HG2 ILE 46 -6.679 6.736 -5.676 375 HG22 ILE 46 2HG2 ILE 46 -6.847 7.549 -7.232 376 HG23 ILE 46 3HG2 ILE 46 -5.257 7.403 -6.482 377 HD11 ILE 46 3HD1 ILE 46 -7.502 3.945 -5.599 378 HD12 ILE 46 1HD1 ILE 46 -9.018 3.986 -6.500 379 HD13 ILE 46 2HD1 ILE 46 -8.371 5.469 -5.800 380 H LYS 47 H LYS 47 -4.769 8.214 -9.225 381 HA LYS 47 HA LYS 47 -1.921 8.154 -9.095 382 HB2 LYS 47 2HB LYS 47 -3.831 10.526 -9.005 383 HB3 LYS 47 1HB LYS 47 -2.078 10.657 -9.161 384 HG2 LYS 47 2HG LYS 47 -4.019 9.444 -11.156 385 HG3 LYS 47 1HG LYS 47 -3.035 10.898 -11.358 386 HD2 LYS 47 2HD LYS 47 -0.972 9.482 -11.287 387 HD3 LYS 47 1HD LYS 47 -1.981 8.044 -11.114 388 HE2 LYS 47 2HE LYS 47 -1.288 8.173 -13.406 389 HE3 LYS 47 1HE LYS 47 -2.998 8.598 -13.359 390 HZ1 LYS 47 3HZ LYS 47 -0.727 10.491 -13.555 391 HZ2 LYS 47 1HZ LYS 47 -2.354 10.933 -13.439 392 HZ3 LYS 47 2HZ LYS 47 -1.808 10.082 -14.789 393 H LEU 48 H LEU 48 -0.557 9.005 -7.516 394 HA LEU 48 HA LEU 48 -1.011 7.943 -4.985 395 HB2 LEU 48 2HB LEU 48 1.197 8.127 -5.963 396 HB3 LEU 48 1HB LEU 48 1.102 9.878 -5.993 397 HG LEU 48 HG LEU 48 1.305 9.988 -3.549 398 HD11 LEU 48 1HD1 LEU 48 1.664 7.981 -2.172 399 HD12 LEU 48 2HD1 LEU 48 1.346 6.961 -3.576 400 HD13 LEU 48 3HD1 LEU 48 0.064 7.979 -2.917 401 HD21 LEU 48 3HD2 LEU 48 3.588 9.111 -3.288 402 HD22 LEU 48 1HD2 LEU 48 3.384 9.891 -4.857 403 HD23 LEU 48 2HD2 LEU 48 3.388 8.130 -4.740 404 H ALA 49 H ALA 49 -1.133 11.338 -6.020 405 HA ALA 49 HA ALA 49 -1.544 12.551 -3.504 406 HB1 ALA 49 3HB ALA 49 -0.842 13.792 -5.510 407 HB2 ALA 49 1HB ALA 49 -2.276 14.518 -4.781 408 HB3 ALA 49 2HB ALA 49 -2.428 13.525 -6.236 409 H LYS 50 H LYS 50 -3.735 10.837 -5.597 410 HA LYS 50 HA LYS 50 -6.181 12.028 -4.557 411 HB2 LYS 50 2HB LYS 50 -5.834 9.664 -6.440 412 HB3 LYS 50 1HB LYS 50 -7.339 10.527 -6.123 413 HG2 LYS 50 2HG LYS 50 -4.861 11.649 -7.475 414 HG3 LYS 50 1HG LYS 50 -6.387 11.218 -8.258 415 HD2 LYS 50 2HD LYS 50 -7.555 12.998 -7.017 416 HD3 LYS 50 1HD LYS 50 -6.068 13.401 -6.151 417 HE2 LYS 50 2HE LYS 50 -5.017 14.061 -8.301 418 HE3 LYS 50 1HE LYS 50 -6.522 13.680 -9.144 419 HZ1 LYS 50 3HZ LYS 50 -6.263 15.698 -6.994 420 HZ2 LYS 50 1HZ LYS 50 -7.633 15.386 -7.932 421 HZ3 LYS 50 2HZ LYS 50 -6.252 16.042 -8.648 422 H LEU 51 H LEU 51 -4.150 9.477 -3.542 423 HA LEU 51 HA LEU 51 -5.982 7.608 -2.494 424 HB2 LEU 51 2HB LEU 51 -3.119 8.302 -1.909 425 HB3 LEU 51 1HB LEU 51 -3.965 7.342 -0.713 426 HG LEU 51 HG LEU 51 -4.440 5.603 -2.415 427 HD11 LEU 51 1HD1 LEU 51 -4.451 6.971 -4.450 428 HD12 LEU 51 2HD1 LEU 51 -3.322 5.627 -4.600 429 HD13 LEU 51 3HD1 LEU 51 -2.716 7.256 -4.287 430 HD21 LEU 51 3HD2 LEU 51 -2.455 5.449 -0.967 431 HD22 LEU 51 1HD2 LEU 51 -1.499 6.310 -2.180 432 HD23 LEU 51 2HD2 LEU 51 -2.172 4.719 -2.541 433 H THR 52 H THR 52 -7.701 8.424 -1.396 434 HA THR 52 HA THR 52 -7.261 10.018 1.046 435 HB THR 52 HB THR 52 -8.998 10.847 -0.545 436 HG1 THR 52 HG1 THR 52 -10.696 10.998 1.081 437 HG21 THR 52 3HG2 THR 52 -11.139 9.647 -0.808 438 HG22 THR 52 1HG2 THR 52 -10.505 8.286 0.124 439 HG23 THR 52 2HG2 THR 52 -9.806 8.684 -1.448 440 H SER 53 H SER 53 -8.809 9.339 2.901 441 HA SER 53 HA SER 53 -8.017 6.732 3.768 442 HB2 SER 53 2HB SER 53 -8.186 8.678 5.315 443 HB3 SER 53 1HB SER 53 -9.933 8.701 5.093 444 HG SER 53 HG SER 53 -9.126 6.229 5.807 445 H LEU 54 H LEU 54 -10.899 8.024 2.263 446 HA LEU 54 HA LEU 54 -12.730 5.921 2.791 447 HB2 LEU 54 2HB LEU 54 -13.463 8.072 1.838 448 HB3 LEU 54 1HB LEU 54 -12.518 7.779 0.387 449 HG LEU 54 HG LEU 54 -14.004 5.800 -0.129 450 HD11 LEU 54 1HD1 LEU 54 -16.160 5.566 1.017 451 HD12 LEU 54 2HD1 LEU 54 -15.693 6.813 2.176 452 HD13 LEU 54 3HD1 LEU 54 -14.809 5.284 2.116 453 HD21 LEU 54 3HD2 LEU 54 -14.398 7.954 -1.226 454 HD22 LEU 54 1HD2 LEU 54 -15.445 8.459 0.102 455 HD23 LEU 54 2HD2 LEU 54 -15.916 7.110 -0.934 456 H HIS 55 H HIS 55 -10.255 6.382 0.280 457 HA HIS 55 HA HIS 55 -10.722 4.078 -1.294 458 HB2 HIS 55 2HB HIS 55 -8.177 5.669 -0.796 459 HB3 HIS 55 1HB HIS 55 -8.253 4.331 -1.928 460 HD1 HIS 55 HD1 HIS 55 -7.390 6.821 -3.116 461 HD2 HIS 55 HD2 HIS 55 -11.428 5.935 -2.727 462 HE1 HIS 55 HE1 HIS 55 -8.543 8.213 -4.839 463 HE2 HIS 55 HE2 HIS 55 -10.994 7.700 -4.563 464 H MET 56 H MET 56 -8.740 4.646 1.578 465 HA MET 56 HA MET 56 -7.526 2.063 1.714 466 HB2 MET 56 2HB MET 56 -7.918 4.180 3.874 467 HB3 MET 56 1HB MET 56 -6.911 2.741 4.057 468 HG2 MET 56 2HG MET 56 -6.498 5.005 2.099 469 HG3 MET 56 1HG MET 56 -5.511 4.623 3.514 470 HE1 MET 56 3HE MET 56 -4.562 4.992 0.355 471 HE2 MET 56 1HE MET 56 -3.299 3.759 0.297 472 HE3 MET 56 2HE MET 56 -3.432 4.820 1.701 473 H GLN 57 H GLN 57 -10.461 3.466 3.104 474 HA GLN 57 HA GLN 57 -11.117 1.327 4.862 475 HB2 GLN 57 2HB GLN 57 -12.081 3.593 5.136 476 HB3 GLN 57 1HB GLN 57 -12.925 3.442 3.604 477 HG2 GLN 57 2HG GLN 57 -14.396 3.107 5.585 478 HG3 GLN 57 1HG GLN 57 -14.378 1.721 4.491 479 HE21 GLN 57 1HE2 GLN 57 -13.531 -0.244 5.216 480 HE22 GLN 57 2HE2 GLN 57 -13.093 -0.534 6.860 481 H ASN 58 H ASN 58 -12.204 2.173 1.569 482 HA ASN 58 HA ASN 58 -13.921 -0.078 1.216 483 HB2 ASN 58 2HB ASN 58 -12.675 1.774 -0.864 484 HB3 ASN 58 1HB ASN 58 -13.926 0.580 -1.214 485 HD21 ASN 58 1HD2 ASN 58 -14.050 3.418 -1.599 486 HD22 ASN 58 2HD2 ASN 58 -15.360 4.008 -0.640 487 H TYR 59 H TYR 59 -10.492 0.458 0.740 488 HA TYR 59 HA TYR 59 -9.842 -1.839 -0.779 489 HB2 TYR 59 2HB TYR 59 -8.219 -0.031 -0.473 490 HB3 TYR 59 1HB TYR 59 -8.196 -0.287 1.267 491 HD1 TYR 59 HD2 TYR 59 -7.635 -2.324 -1.866 492 HD2 TYR 59 HD1 TYR 59 -6.326 -1.423 2.099 493 HE1 TYR 59 HE2 TYR 59 -5.751 -3.876 -2.133 494 HE2 TYR 59 HE1 TYR 59 -4.454 -2.981 1.833 495 HH TYR 59 HH TYR 59 -3.794 -4.834 0.522 496 H VAL 60 H VAL 60 -9.873 -1.290 2.767 497 HA VAL 60 HA VAL 60 -9.203 -3.975 3.492 498 HB VAL 60 HB VAL 60 -10.496 -1.799 5.201 499 HG11 VAL 60 1HG1 VAL 60 -9.033 -4.335 6.055 500 HG12 VAL 60 2HG1 VAL 60 -10.760 -4.031 6.243 501 HG13 VAL 60 3HG1 VAL 60 -9.593 -3.064 7.144 502 HG21 VAL 60 3HG2 VAL 60 -8.196 -1.357 6.007 503 HG22 VAL 60 1HG2 VAL 60 -8.328 -1.086 4.270 504 HG23 VAL 60 2HG2 VAL 60 -7.565 -2.558 4.875 505 H ASN 61 H ASN 61 -12.239 -2.295 2.939 506 HA ASN 61 HA ASN 61 -14.067 -4.204 3.934 507 HB2 ASN 61 2HB ASN 61 -14.347 -2.154 1.691 508 HB3 ASN 61 1HB ASN 61 -15.684 -3.172 2.212 509 HD21 ASN 61 1HD2 ASN 61 -15.442 -0.265 2.268 510 HD22 ASN 61 2HD2 ASN 61 -15.681 0.200 3.918 511 H SER 62 H SER 62 -12.503 -3.805 0.771 512 HA SER 62 HA SER 62 -13.728 -5.978 -0.570 513 HB2 SER 62 2HB SER 62 -11.027 -4.659 -1.089 514 HB3 SER 62 1HB SER 62 -11.874 -5.733 -2.210 515 HG SER 62 HG SER 62 -13.187 -3.468 -1.197 516 H LEU 63 H LEU 63 -10.703 -5.703 1.303 517 HA LEU 63 HA LEU 63 -9.594 -8.245 0.856 518 HB2 LEU 63 2HB LEU 63 -9.414 -6.626 3.424 519 HB3 LEU 63 1HB LEU 63 -8.302 -7.893 2.919 520 HG LEU 63 HG LEU 63 -8.657 -5.189 1.573 521 HD11 LEU 63 1HD1 LEU 63 -6.417 -4.668 2.412 522 HD12 LEU 63 2HD1 LEU 63 -6.371 -6.209 3.269 523 HD13 LEU 63 3HD1 LEU 63 -7.552 -4.978 3.723 524 HD21 LEU 63 3HD2 LEU 63 -6.681 -7.385 0.891 525 HD22 LEU 63 1HD2 LEU 63 -6.727 -5.771 0.175 526 HD23 LEU 63 2HD2 LEU 63 -8.062 -6.888 -0.089 527 H ARG 64 H ARG 64 -11.957 -7.131 3.202 528 HA ARG 64 HA ARG 64 -12.260 -9.467 4.761 529 HB2 ARG 64 2HB ARG 64 -13.042 -7.182 5.400 530 HB3 ARG 64 1HB ARG 64 -14.281 -7.269 4.158 531 HG2 ARG 64 2HG ARG 64 -15.227 -9.287 5.395 532 HG3 ARG 64 1HG ARG 64 -14.093 -8.916 6.697 533 HD2 ARG 64 2HD ARG 64 -16.301 -7.977 7.179 534 HD3 ARG 64 1HD ARG 64 -15.128 -6.674 6.951 535 HE ARG 64 HE ARG 64 -17.120 -7.544 4.928 536 HH11 ARG 64 1HH1 ARG 64 -15.166 -4.981 6.288 537 HH12 ARG 64 2HH1 ARG 64 -15.880 -3.758 5.292 538 HH21 ARG 64 1HH2 ARG 64 -18.034 -5.958 3.620 539 HH22 ARG 64 2HH2 ARG 64 -17.509 -4.313 3.764 540 H ASP 65 H ASP 65 -14.021 -8.258 1.883 541 HA ASP 65 HA ASP 65 -15.810 -10.474 1.630 542 HB2 ASP 65 2HB ASP 65 -14.975 -8.318 -0.343 543 HB3 ASP 65 1HB ASP 65 -16.167 -9.553 -0.739 544 H GLU 66 H GLU 66 -12.517 -9.984 0.587 545 HA GLU 66 HA GLU 66 -12.405 -12.167 -1.305 546 HB2 GLU 66 2HB GLU 66 -10.198 -10.661 0.162 547 HB3 GLU 66 1HB GLU 66 -9.905 -11.867 -1.090 548 HG2 GLU 66 2HG GLU 66 -11.406 -9.263 -1.477 549 HG3 GLU 66 1HG GLU 66 -9.721 -9.540 -1.910 550 H GLY 67 H GLY 67 -12.594 -12.012 2.063 551 HA2 GLY 67 2HA GLY 67 -12.625 -13.664 3.651 552 HA3 GLY 67 1HA GLY 67 -12.202 -14.835 2.409 553 H LEU 68 H LEU 68 -10.232 -11.999 2.799 554 HA LEU 68 HA LEU 68 -7.898 -13.532 3.482 555 HB2 LEU 68 2HB LEU 68 -8.239 -10.507 3.461 556 HB3 LEU 68 1HB LEU 68 -6.711 -11.379 3.521 557 HG LEU 68 HG LEU 68 -8.645 -11.235 1.177 558 HD11 LEU 68 1HD1 LEU 68 -6.778 -10.166 0.017 559 HD12 LEU 68 2HD1 LEU 68 -5.776 -10.302 1.466 560 HD13 LEU 68 3HD1 LEU 68 -7.210 -9.268 1.475 561 HD21 LEU 68 3HD2 LEU 68 -6.127 -12.919 1.414 562 HD22 LEU 68 1HD2 LEU 68 -7.056 -12.662 -0.068 563 HD23 LEU 68 2HD2 LEU 68 -7.784 -13.522 1.286 564 H LYS 69 H LYS 69 -7.030 -13.870 5.425 565 HA LYS 69 HA LYS 69 -8.392 -13.200 7.851 566 HB2 LYS 69 2HB LYS 69 -6.520 -14.356 8.964 567 HB3 LYS 69 1HB LYS 69 -7.154 -15.299 7.623 568 HG2 LYS 69 2HG LYS 69 -5.236 -14.563 6.224 569 HG3 LYS 69 1HG LYS 69 -4.590 -13.665 7.599 570 HD2 LYS 69 2HD LYS 69 -3.457 -15.851 7.327 571 HD3 LYS 69 1HD LYS 69 -4.310 -15.754 8.869 572 HE2 LYS 69 2HE LYS 69 -4.619 -17.963 7.803 573 HE3 LYS 69 1HE LYS 69 -6.154 -17.113 7.948 574 HZ1 LYS 69 3HZ LYS 69 -4.512 -17.378 5.487 575 HZ2 LYS 69 1HZ LYS 69 -5.938 -16.472 5.603 576 HZ3 LYS 69 2HZ LYS 69 -5.983 -18.145 5.809 577 H ARG 70 H ARG 70 -7.434 -11.958 9.638 578 HA ARG 70 HA ARG 70 -6.716 -9.360 8.854 579 HB2 ARG 70 2HB ARG 70 -6.507 -8.786 11.184 580 HB3 ARG 70 1HB ARG 70 -7.844 -9.924 11.039 581 HG2 ARG 70 2HG ARG 70 -6.606 -11.686 12.025 582 HG3 ARG 70 1HG ARG 70 -5.066 -10.864 11.785 583 HD2 ARG 70 2HD ARG 70 -5.874 -9.109 13.453 584 HD3 ARG 70 1HD ARG 70 -7.225 -10.197 13.802 585 HE ARG 70 HE ARG 70 -5.804 -11.521 15.000 586 HH11 ARG 70 1HH1 ARG 70 -3.831 -9.378 13.058 587 HH12 ARG 70 2HH1 ARG 70 -2.339 -9.948 13.720 588 HH21 ARG 70 1HH2 ARG 70 -3.865 -12.301 15.838 589 HH22 ARG 70 2HH2 ARG 70 -2.353 -11.637 15.287 590 H GLY 71 H GLY 71 -4.710 -12.131 9.653 591 HA2 GLY 71 2HA GLY 71 -2.199 -10.943 9.938 592 HA3 GLY 71 1HA GLY 71 -2.487 -12.538 9.253 593 H THR 72 H THR 72 -3.738 -12.139 6.963 594 HA THR 72 HA THR 72 -1.832 -11.251 5.090 595 HB THR 72 HB THR 72 -4.834 -11.611 4.652 596 HG1 THR 72 HG1 THR 72 -2.670 -13.475 4.624 597 HG21 THR 72 3HG2 THR 72 -4.194 -12.160 2.309 598 HG22 THR 72 1HG2 THR 72 -2.508 -11.803 2.676 599 HG23 THR 72 2HG2 THR 72 -3.715 -10.511 2.726 600 H ILE 73 H ILE 73 -4.772 -9.718 6.347 601 HA ILE 73 HA ILE 73 -4.775 -7.387 4.765 602 HB ILE 73 HB ILE 73 -5.985 -7.858 7.528 603 HG12 ILE 73 2HG1 ILE 73 -7.236 -8.016 4.745 604 HG13 ILE 73 1HG1 ILE 73 -6.850 -9.392 5.772 605 HG21 ILE 73 1HG2 ILE 73 -7.460 -5.916 7.077 606 HG22 ILE 73 2HG2 ILE 73 -6.572 -5.583 5.590 607 HG23 ILE 73 3HG2 ILE 73 -5.762 -5.437 7.150 608 HD11 ILE 73 3HD1 ILE 73 -9.222 -8.911 5.796 609 HD12 ILE 73 1HD1 ILE 73 -8.913 -7.265 6.351 610 HD13 ILE 73 2HD1 ILE 73 -8.530 -8.636 7.394 611 H GLU 74 H GLU 74 -3.274 -8.125 7.876 612 HA GLU 74 HA GLU 74 -2.663 -5.515 8.729 613 HB2 GLU 74 2HB GLU 74 -2.624 -7.453 10.259 614 HB3 GLU 74 1HB GLU 74 -1.254 -8.139 9.386 615 HG2 GLU 74 2HG GLU 74 0.145 -6.213 10.080 616 HG3 GLU 74 1HG GLU 74 -1.235 -5.530 10.944 617 H LYS 75 H LYS 75 -0.675 -7.945 7.063 618 HA LYS 75 HA LYS 75 1.768 -6.530 7.079 619 HB2 LYS 75 2HB LYS 75 0.772 -8.672 5.153 620 HB3 LYS 75 1HB LYS 75 2.455 -8.170 5.318 621 HG2 LYS 75 2HG LYS 75 2.565 -9.043 7.576 622 HG3 LYS 75 1HG LYS 75 0.828 -9.379 7.586 623 HD2 LYS 75 2HD LYS 75 2.894 -10.725 5.793 624 HD3 LYS 75 1HD LYS 75 2.176 -11.432 7.244 625 HE2 LYS 75 2HE LYS 75 -0.072 -11.300 6.142 626 HE3 LYS 75 1HE LYS 75 0.709 -10.680 4.685 627 HZ1 LYS 75 3HZ LYS 75 1.200 -13.324 5.918 628 HZ2 LYS 75 1HZ LYS 75 1.937 -12.733 4.518 629 HZ3 LYS 75 2HZ LYS 75 0.276 -13.025 4.539 630 H ILE 76 H ILE 76 -0.787 -6.817 4.633 631 HA ILE 76 HA ILE 76 0.614 -5.344 2.617 632 HB ILE 76 HB ILE 76 -1.397 -5.519 1.252 633 HG12 ILE 76 2HG1 ILE 76 -2.809 -6.384 3.817 634 HG13 ILE 76 1HG1 ILE 76 -3.199 -4.996 2.805 635 HG21 ILE 76 1HG2 ILE 76 -1.001 -8.090 2.837 636 HG22 ILE 76 2HG2 ILE 76 0.020 -7.539 1.511 637 HG23 ILE 76 3HG2 ILE 76 -1.663 -7.960 1.204 638 HD11 ILE 76 3HD1 ILE 76 -3.566 -7.908 2.083 639 HD12 ILE 76 1HD1 ILE 76 -3.928 -6.541 1.020 640 HD13 ILE 76 2HD1 ILE 76 -4.821 -6.758 2.524 641 H ILE 77 H ILE 77 -1.741 -4.456 5.112 642 HA ILE 77 HA ILE 77 -2.098 -1.742 4.300 643 HB ILE 77 HB ILE 77 -2.482 -3.119 6.988 644 HG12 ILE 77 2HG1 ILE 77 -4.117 -3.772 5.275 645 HG13 ILE 77 1HG1 ILE 77 -4.917 -2.794 6.501 646 HG21 ILE 77 1HG2 ILE 77 -1.949 -0.801 7.532 647 HG22 ILE 77 2HG2 ILE 77 -3.666 -1.091 7.815 648 HG23 ILE 77 3HG2 ILE 77 -3.145 -0.217 6.372 649 HD11 ILE 77 3HD1 ILE 77 -4.044 -1.868 3.766 650 HD12 ILE 77 1HD1 ILE 77 -4.802 -0.854 5.000 651 HD13 ILE 77 2HD1 ILE 77 -5.687 -2.209 4.302 652 H LYS 78 H LYS 78 0.236 -3.351 6.484 653 HA LYS 78 HA LYS 78 1.489 -1.006 7.490 654 HB2 LYS 78 2HB LYS 78 2.604 -3.834 7.272 655 HB3 LYS 78 1HB LYS 78 3.395 -2.525 8.150 656 HG2 LYS 78 2HG LYS 78 0.717 -3.799 8.804 657 HG3 LYS 78 1HG LYS 78 2.222 -3.975 9.711 658 HD2 LYS 78 2HD LYS 78 2.144 -1.569 10.305 659 HD3 LYS 78 1HD LYS 78 0.665 -1.369 9.358 660 HE2 LYS 78 2HE LYS 78 0.118 -1.535 11.732 661 HE3 LYS 78 1HE LYS 78 -0.496 -2.952 10.885 662 HZ1 LYS 78 3HZ LYS 78 2.019 -2.857 12.454 663 HZ2 LYS 78 1HZ LYS 78 1.376 -4.218 11.685 664 HZ3 LYS 78 2HZ LYS 78 0.556 -3.517 12.986 665 H VAL 79 H VAL 79 2.054 -2.971 4.648 666 HA VAL 79 HA VAL 79 4.454 -1.793 3.716 667 HB VAL 79 HB VAL 79 2.210 -3.211 2.193 668 HG11 VAL 79 1HG1 VAL 79 3.477 -1.811 0.618 669 HG12 VAL 79 2HG1 VAL 79 3.846 -3.515 0.347 670 HG13 VAL 79 3HG1 VAL 79 4.994 -2.486 1.208 671 HG21 VAL 79 3HG2 VAL 79 3.724 -5.164 2.215 672 HG22 VAL 79 1HG2 VAL 79 3.383 -4.633 3.864 673 HG23 VAL 79 2HG2 VAL 79 4.930 -4.243 3.115 674 H ILE 80 H ILE 80 1.023 -1.024 3.153 675 HA ILE 80 HA ILE 80 1.413 1.151 1.346 676 HB ILE 80 HB ILE 80 -0.965 0.537 3.165 677 HG12 ILE 80 2HG1 ILE 80 -0.600 -0.039 0.189 678 HG13 ILE 80 1HG1 ILE 80 -0.436 -1.239 1.468 679 HG21 ILE 80 1HG2 ILE 80 -2.306 2.016 1.704 680 HG22 ILE 80 2HG2 ILE 80 -0.857 2.445 0.792 681 HG23 ILE 80 3HG2 ILE 80 -1.003 2.914 2.486 682 HD11 ILE 80 3HD1 ILE 80 -2.591 -1.402 0.360 683 HD12 ILE 80 1HD1 ILE 80 -2.956 0.273 0.768 684 HD13 ILE 80 2HD1 ILE 80 -2.800 -0.936 2.046 685 H ARG 81 H ARG 81 1.103 0.940 4.857 686 HA ARG 81 HA ARG 81 1.015 3.693 5.481 687 HB2 ARG 81 2HB ARG 81 2.010 1.333 7.133 688 HB3 ARG 81 1HB ARG 81 1.769 2.956 7.782 689 HG2 ARG 81 2HG ARG 81 -0.619 2.831 7.304 690 HG3 ARG 81 1HG ARG 81 -0.419 1.256 6.541 691 HD2 ARG 81 2HD ARG 81 -1.320 0.979 8.777 692 HD3 ARG 81 1HD ARG 81 0.317 0.322 8.715 693 HE ARG 81 HE ARG 81 1.102 2.223 9.941 694 HH11 ARG 81 1HH1 ARG 81 -2.410 2.085 9.759 695 HH12 ARG 81 2HH1 ARG 81 -2.637 3.065 11.169 696 HH21 ARG 81 1HH2 ARG 81 0.798 3.525 11.752 697 HH22 ARG 81 2HH2 ARG 81 -0.806 3.900 12.297 698 H ASN 82 H ASN 82 3.699 1.412 5.081 699 HA ASN 82 HA ASN 82 5.781 3.184 5.911 700 HB2 ASN 82 2HB ASN 82 5.917 0.666 5.986 701 HB3 ASN 82 1HB ASN 82 6.002 0.639 4.229 702 HD21 ASN 82 1HD2 ASN 82 7.629 2.980 6.375 703 HD22 ASN 82 2HD2 ASN 82 9.229 2.461 5.998 704 H SER 83 H SER 83 4.411 2.271 2.762 705 HA SER 83 HA SER 83 6.322 3.610 1.129 706 HB2 SER 83 2HB SER 83 4.551 3.360 -0.678 707 HB3 SER 83 1HB SER 83 4.994 1.858 0.137 708 HG SER 83 HG SER 83 2.605 3.139 0.054 709 H LEU 84 H LEU 84 3.141 4.584 2.428 710 HA LEU 84 HA LEU 84 3.088 7.111 1.114 711 HB2 LEU 84 2HB LEU 84 1.532 6.133 3.527 712 HB3 LEU 84 1HB LEU 84 1.245 7.670 2.727 713 HG LEU 84 HG LEU 84 0.778 4.891 1.586 714 HD11 LEU 84 1HD1 LEU 84 -0.992 5.715 3.052 715 HD12 LEU 84 2HD1 LEU 84 -1.551 5.611 1.384 716 HD13 LEU 84 3HD1 LEU 84 -1.143 7.182 2.082 717 HD21 LEU 84 3HD2 LEU 84 1.755 6.232 -0.202 718 HD22 LEU 84 1HD2 LEU 84 0.596 7.529 0.095 719 HD23 LEU 84 2HD2 LEU 84 0.044 5.964 -0.508 720 H GLU 85 H GLU 85 4.441 6.061 4.222 721 HA GLU 85 HA GLU 85 5.069 8.607 5.299 722 HB2 GLU 85 2HB GLU 85 6.526 5.948 5.571 723 HB3 GLU 85 1HB GLU 85 7.042 7.395 6.430 724 HG2 GLU 85 2HG GLU 85 4.418 5.927 6.745 725 HG3 GLU 85 1HG GLU 85 5.741 5.988 7.902 726 H HIS 86 H HIS 86 6.694 6.632 2.876 727 HA HIS 86 HA HIS 86 9.011 8.326 2.617 728 HB2 HIS 86 2HB HIS 86 9.098 5.899 2.089 729 HB3 HIS 86 1HB HIS 86 7.969 6.141 0.762 730 HD1 HIS 86 HD1 HIS 86 11.418 7.446 1.786 731 HD2 HIS 86 HD2 HIS 86 9.244 6.481 -1.623 732 HE1 HIS 86 HE1 HIS 86 12.993 7.800 -0.137 733 HE2 HIS 86 HE2 HIS 86 11.641 7.270 -2.186 734 H ALA 87 H ALA 87 5.874 8.037 1.023 735 HA ALA 87 HA ALA 87 6.344 9.798 -1.154 736 HB1 ALA 87 3HB ALA 87 3.897 9.846 -1.378 737 HB2 ALA 87 1HB ALA 87 3.725 9.105 0.217 738 HB3 ALA 87 2HB ALA 87 4.468 8.198 -1.103 739 H ILE 88 H ILE 88 5.204 10.325 2.176 740 HA ILE 88 HA ILE 88 4.735 13.102 2.084 741 HB ILE 88 HB ILE 88 5.753 11.395 4.401 742 HG12 ILE 88 2HG1 ILE 88 2.916 12.403 3.889 743 HG13 ILE 88 1HG1 ILE 88 3.472 10.792 3.458 744 HG21 ILE 88 1HG2 ILE 88 6.295 13.752 4.853 745 HG22 ILE 88 2HG2 ILE 88 5.005 13.208 5.925 746 HG23 ILE 88 3HG2 ILE 88 4.626 14.222 4.529 747 HD11 ILE 88 3HD1 ILE 88 2.208 10.787 5.527 748 HD12 ILE 88 1HD1 ILE 88 3.345 11.920 6.253 749 HD13 ILE 88 2HD1 ILE 88 3.875 10.293 5.818 750 H ASP 89 H ASP 89 7.699 11.225 2.610 751 HA ASP 89 HA ASP 89 9.391 13.494 3.140 752 HB2 ASP 89 2HB ASP 89 9.787 11.165 4.045 753 HB3 ASP 89 1HB ASP 89 10.231 10.654 2.416 754 H LEU 90 H LEU 90 8.321 11.875 0.249 755 HA LEU 90 HA LEU 90 10.269 13.232 -1.479 756 HB2 LEU 90 2HB LEU 90 7.913 11.425 -2.150 757 HB3 LEU 90 1HB LEU 90 8.998 12.121 -3.341 758 HG LEU 90 HG LEU 90 9.698 10.022 -1.255 759 HD11 LEU 90 1HD1 LEU 90 10.132 8.585 -3.208 760 HD12 LEU 90 2HD1 LEU 90 9.633 9.887 -4.291 761 HD13 LEU 90 3HD1 LEU 90 8.465 9.156 -3.189 762 HD21 LEU 90 3HD2 LEU 90 11.554 11.400 -3.227 763 HD22 LEU 90 1HD2 LEU 90 11.967 9.994 -2.239 764 HD23 LEU 90 2HD2 LEU 90 11.600 11.533 -1.467 765 H GLU 91 H GLU 91 7.668 14.280 0.158 766 HA GLU 91 HA GLU 91 6.284 16.068 0.089 767 HB2 GLU 91 2HB GLU 91 8.005 16.915 -2.285 768 HB3 GLU 91 1HB GLU 91 6.899 17.975 -1.412 769 HG2 GLU 91 2HG GLU 91 8.250 17.877 0.581 770 HG3 GLU 91 1HG GLU 91 9.252 16.587 -0.087 771 H LEU 92 H LEU 92 5.795 13.639 -1.692 772 HA LEU 92 HA LEU 92 4.211 14.525 -3.934 773 HB2 LEU 92 2HB LEU 92 4.515 11.768 -2.678 774 HB3 LEU 92 1HB LEU 92 3.729 12.096 -4.218 775 HG LEU 92 HG LEU 92 6.685 12.536 -3.619 776 HD11 LEU 92 1HD1 LEU 92 7.114 10.677 -5.158 777 HD12 LEU 92 2HD1 LEU 92 5.380 10.410 -5.345 778 HD13 LEU 92 3HD1 LEU 92 6.150 10.152 -3.777 779 HD21 LEU 92 3HD2 LEU 92 6.926 13.011 -6.027 780 HD22 LEU 92 1HD2 LEU 92 5.885 14.185 -5.228 781 HD23 LEU 92 2HD2 LEU 92 5.177 12.912 -6.224 782 H ILE 93 H ILE 93 3.632 13.421 -0.635 783 HA ILE 93 HA ILE 93 0.867 14.409 -0.813 784 HB ILE 93 HB ILE 93 -0.009 12.602 0.646 785 HG12 ILE 93 2HG1 ILE 93 2.667 11.201 0.213 786 HG13 ILE 93 1HG1 ILE 93 2.147 11.930 1.724 787 HG21 ILE 93 1HG2 ILE 93 -0.162 10.802 -1.044 788 HG22 ILE 93 2HG2 ILE 93 1.191 11.515 -1.925 789 HG23 ILE 93 3HG2 ILE 93 -0.327 12.400 -1.784 790 HD11 ILE 93 3HD1 ILE 93 0.315 10.307 1.868 791 HD12 ILE 93 1HD1 ILE 93 1.895 9.527 1.781 792 HD13 ILE 93 2HD1 ILE 93 0.858 9.573 0.357 793 H THR 94 H THR 94 0.066 15.262 1.149 794 HA THR 94 HA THR 94 2.077 16.446 2.859 795 HB THR 94 HB THR 94 0.062 17.553 3.962 796 HG1 THR 94 HG1 THR 94 -1.582 16.741 1.859 797 HG21 THR 94 3HG2 THR 94 1.245 18.683 2.093 798 HG22 THR 94 1HG2 THR 94 -0.487 19.017 2.053 799 HG23 THR 94 2HG2 THR 94 0.210 17.848 0.931 800 H LYS 95 H LYS 95 -0.369 13.911 3.123 801 HA LYS 95 HA LYS 95 0.407 13.279 5.899 802 HB2 LYS 95 2HB LYS 95 -1.535 14.872 5.916 803 HB3 LYS 95 1HB LYS 95 -2.461 13.735 4.946 804 HG2 LYS 95 2HG LYS 95 -2.440 12.108 6.774 805 HG3 LYS 95 1HG LYS 95 -1.421 13.173 7.745 806 HD2 LYS 95 2HD LYS 95 -4.265 13.777 6.825 807 HD3 LYS 95 1HD LYS 95 -3.794 13.277 8.448 808 HE2 LYS 95 2HE LYS 95 -2.954 15.868 7.087 809 HE3 LYS 95 1HE LYS 95 -4.196 15.708 8.328 810 HZ1 LYS 95 3HZ LYS 95 -1.300 15.130 8.675 811 HZ2 LYS 95 1HZ LYS 95 -2.485 14.932 9.866 812 HZ3 LYS 95 2HZ LYS 95 -2.133 16.475 9.271 813 H ASN 96 H ASN 96 -0.033 11.116 6.505 814 HA ASN 96 HA ASN 96 -0.371 9.207 4.313 815 HB2 ASN 96 2HB ASN 96 1.503 8.829 5.827 816 HB3 ASN 96 1HB ASN 96 0.445 8.875 7.230 817 HD21 ASN 96 1HD2 ASN 96 1.370 6.829 7.793 818 HD22 ASN 96 2HD2 ASN 96 0.844 5.373 7.025 819 H VAL 97 H VAL 97 -2.406 8.684 3.805 820 HA VAL 97 HA VAL 97 -4.634 8.859 5.643 821 HB VAL 97 HB VAL 97 -6.010 8.059 3.711 822 HG11 VAL 97 1HG1 VAL 97 -5.652 10.027 2.245 823 HG12 VAL 97 2HG1 VAL 97 -4.101 10.333 3.031 824 HG13 VAL 97 3HG1 VAL 97 -5.600 10.466 3.954 825 HG21 VAL 97 3HG2 VAL 97 -4.975 7.728 1.490 826 HG22 VAL 97 1HG2 VAL 97 -4.357 6.548 2.649 827 HG23 VAL 97 2HG2 VAL 97 -3.369 7.939 2.193 828 H ALA 98 H ALA 98 -2.367 6.428 4.843 829 HA ALA 98 HA ALA 98 -4.056 4.146 5.558 830 HB1 ALA 98 3HB ALA 98 -1.086 4.276 4.935 831 HB2 ALA 98 1HB ALA 98 -2.370 3.885 3.786 832 HB3 ALA 98 2HB ALA 98 -2.041 2.803 5.142 833 H ALA 99 H ALA 99 -2.023 6.453 7.113 834 HA ALA 99 HA ALA 99 -1.283 5.104 9.486 835 HB1 ALA 99 3HB ALA 99 -0.396 7.324 8.889 836 HB2 ALA 99 1HB ALA 99 -1.121 7.348 10.501 837 HB3 ALA 99 2HB ALA 99 -1.992 8.036 9.126 838 H LYS 100 H LYS 100 -4.274 6.535 8.393 839 HA LYS 100 HA LYS 100 -5.709 6.440 10.897 840 HB2 LYS 100 2HB LYS 100 -6.792 6.696 8.054 841 HB3 LYS 100 1HB LYS 100 -7.653 7.095 9.541 842 HG2 LYS 100 2HG LYS 100 -5.282 8.549 8.329 843 HG3 LYS 100 1HG LYS 100 -6.941 9.139 8.497 844 HD2 LYS 100 2HD LYS 100 -6.608 8.961 11.037 845 HD3 LYS 100 1HD LYS 100 -4.896 8.674 10.707 846 HE2 LYS 100 2HE LYS 100 -5.249 11.024 11.241 847 HE3 LYS 100 1HE LYS 100 -4.792 10.881 9.541 848 HZ1 LYS 100 3HZ LYS 100 -7.088 11.127 8.915 849 HZ2 LYS 100 1HZ LYS 100 -6.646 12.417 9.907 850 HZ3 LYS 100 2HZ LYS 100 -7.582 11.158 10.531 851 H THR 101 H THR 101 -4.975 4.209 8.383 852 HA THR 101 HA THR 101 -7.281 2.505 8.641 853 HB THR 101 HB THR 101 -4.637 1.908 7.240 854 HG1 THR 101 HG1 THR 101 -6.530 3.739 6.677 855 HG21 THR 101 3HG2 THR 101 -5.993 0.396 5.833 856 HG22 THR 101 1HG2 THR 101 -7.435 0.800 6.766 857 HG23 THR 101 2HG2 THR 101 -6.108 -0.080 7.530 858 H LYS 102 H LYS 102 -7.405 1.768 10.709 859 HA LYS 102 HA LYS 102 -5.267 0.304 11.997 860 HB2 LYS 102 2HB LYS 102 -7.144 -0.277 13.684 861 HB3 LYS 102 1HB LYS 102 -6.685 1.406 13.541 862 HG2 LYS 102 2HG LYS 102 -9.029 1.453 13.695 863 HG3 LYS 102 1HG LYS 102 -8.683 1.708 11.984 864 HD2 LYS 102 2HD LYS 102 -9.155 -0.771 11.627 865 HD3 LYS 102 1HD LYS 102 -9.693 -0.845 13.312 866 HE2 LYS 102 2HE LYS 102 -10.900 0.847 11.093 867 HE3 LYS 102 1HE LYS 102 -11.616 -0.588 11.825 868 HZ1 LYS 102 3HZ LYS 102 -12.593 1.418 12.705 869 HZ2 LYS 102 1HZ LYS 102 -11.082 1.987 13.199 870 HZ3 LYS 102 2HZ LYS 102 -11.747 0.619 13.923 871 H LEU 103 H LEU 103 -5.476 -1.970 12.606 872 HA LEU 103 HA LEU 103 -6.434 -3.682 10.473 873 HB2 LEU 103 2HB LEU 103 -4.286 -4.150 11.614 874 HB3 LEU 103 1HB LEU 103 -5.131 -4.348 13.143 875 HG LEU 103 HG LEU 103 -6.343 -6.332 12.164 876 HD11 LEU 103 1HD1 LEU 103 -6.203 -5.760 9.801 877 HD12 LEU 103 2HD1 LEU 103 -5.507 -7.350 10.090 878 HD13 LEU 103 3HD1 LEU 103 -4.450 -5.964 9.827 879 HD21 LEU 103 3HD2 LEU 103 -4.385 -6.699 13.578 880 HD22 LEU 103 1HD2 LEU 103 -3.314 -6.549 12.178 881 HD23 LEU 103 2HD2 LEU 103 -4.444 -7.900 12.290 882 HA PRO 104 HA PRO 104 -10.555 -4.676 12.359 883 HB2 PRO 104 2HB PRO 104 -9.939 -7.121 10.668 884 HB3 PRO 104 1HB PRO 104 -11.466 -6.243 10.855 885 HG2 PRO 104 2HG PRO 104 -9.981 -5.865 8.689 886 HG3 PRO 104 1HG PRO 104 -10.782 -4.486 9.468 887 HD2 PRO 104 2HD PRO 104 -7.882 -5.270 9.519 888 HD3 PRO 104 1HD PRO 104 -8.615 -3.649 9.527 889 H LYS 105 H LYS 105 -10.469 -5.283 14.422 890 HA LYS 105 HA LYS 105 -8.459 -7.015 15.530 891 HB2 LYS 105 2HB LYS 105 -10.961 -5.835 16.818 892 HB3 LYS 105 1HB LYS 105 -9.628 -6.601 17.685 893 HG2 LYS 105 2HG LYS 105 -8.096 -4.819 16.881 894 HG3 LYS 105 1HG LYS 105 -9.442 -4.044 16.039 895 HD2 LYS 105 2HD LYS 105 -9.181 -4.442 19.051 896 HD3 LYS 105 1HD LYS 105 -8.963 -2.923 18.179 897 HE2 LYS 105 2HE LYS 105 -11.336 -2.960 17.502 898 HE3 LYS 105 1HE LYS 105 -11.556 -4.501 18.337 899 HZ1 LYS 105 3HZ LYS 105 -10.831 -1.916 19.593 900 HZ2 LYS 105 1HZ LYS 105 -10.973 -3.390 20.408 901 HZ3 LYS 105 2HZ LYS 105 -12.331 -2.691 19.684 902 H ALA 106 H ALA 106 -8.581 -9.094 14.948 903 HA ALA 106 HA ALA 106 -11.191 -10.509 14.968 904 HB1 ALA 106 3HB ALA 106 -10.165 -10.342 12.734 905 HB2 ALA 106 1HB ALA 106 -10.274 -12.016 13.276 906 HB3 ALA 106 2HB ALA 106 -8.726 -11.170 13.330 907 H ASP 107 H ASP 107 -7.817 -10.632 16.014 908 HA ASP 107 HA ASP 107 -8.409 -12.252 18.276 909 HB2 ASP 107 2HB ASP 107 -6.934 -14.213 17.749 910 HB3 ASP 107 1HB ASP 107 -8.361 -14.144 16.725 911 H LYS 108 H LYS 108 -7.297 -11.035 19.670 912 HA LYS 108 HA LYS 108 -4.453 -11.151 19.781 913 HB2 LYS 108 2HB LYS 108 -4.654 -9.267 18.146 914 HB3 LYS 108 1HB LYS 108 -5.645 -8.376 19.294 915 HG2 LYS 108 2HG LYS 108 -3.336 -7.534 19.270 916 HG3 LYS 108 1HG LYS 108 -3.760 -8.204 20.840 917 HD2 LYS 108 2HD LYS 108 -1.578 -9.001 20.485 918 HD3 LYS 108 1HD LYS 108 -2.582 -10.376 20.042 919 HE2 LYS 108 2HE LYS 108 -1.249 -8.427 18.134 920 HE3 LYS 108 1HE LYS 108 -0.738 -10.083 18.455 921 HZ1 LYS 108 3HZ LYS 108 -3.169 -9.159 17.045 922 HZ2 LYS 108 1HZ LYS 108 -2.972 -10.759 17.562 923 HZ3 LYS 108 2HZ LYS 108 -1.897 -10.094 16.443 924 H GLU 109 H GLU 109 -4.271 -11.627 21.874 925 HA GLU 109 HA GLU 109 -6.165 -10.814 23.895 926 HB2 GLU 109 2HB GLU 109 -4.742 -12.158 25.428 927 HB3 GLU 109 1HB GLU 109 -5.159 -13.041 23.959 928 HG2 GLU 109 2HG GLU 109 -2.871 -12.354 23.050 929 HG3 GLU 109 1HG GLU 109 -2.487 -11.788 24.678 930 H GLU 110 H GLU 110 -3.136 -9.612 22.711 931 HA GLU 110 HA GLU 110 -1.886 -7.781 23.105 932 HB2 GLU 110 2HB GLU 110 -4.319 -6.831 24.676 933 HB3 GLU 110 1HB GLU 110 -2.940 -5.808 24.259 934 HG2 GLU 110 2HG GLU 110 -3.395 -6.247 21.845 935 HG3 GLU 110 1HG GLU 110 -4.825 -7.172 22.309 936 H LEU 111 H LEU 111 -1.435 -10.025 24.653 937 HA LEU 111 HA LEU 111 -0.302 -8.909 27.160 938 HB2 LEU 111 2HB LEU 111 -0.770 -11.820 26.373 939 HB3 LEU 111 1HB LEU 111 -0.006 -11.285 27.866 940 HG LEU 111 HG LEU 111 -2.918 -10.886 27.063 941 HD11 LEU 111 1HD1 LEU 111 -3.422 -12.310 29.000 942 HD12 LEU 111 2HD1 LEU 111 -1.697 -12.519 29.313 943 HD13 LEU 111 3HD1 LEU 111 -2.409 -13.154 27.827 944 HD21 LEU 111 3HD2 LEU 111 -2.159 -8.878 28.253 945 HD22 LEU 111 1HD2 LEU 111 -1.520 -9.867 29.570 946 HD23 LEU 111 2HD2 LEU 111 -3.257 -9.809 29.263 947 H GLU 112 H GLU 112 0.432 -9.409 24.028 948 HA GLU 112 HA GLU 112 3.340 -9.708 24.510 949 HB2 GLU 112 2HB GLU 112 3.545 -10.717 22.262 950 HB3 GLU 112 1HB GLU 112 2.484 -11.687 23.272 951 HG2 GLU 112 2HG GLU 112 1.403 -9.678 21.264 952 HG3 GLU 112 1HG GLU 112 1.799 -11.333 20.807 953 H HIS 113 H HIS 113 1.373 -7.420 24.438 954 HA HIS 113 HA HIS 113 1.813 -5.915 22.031 955 HB2 HIS 113 2HB HIS 113 -0.263 -5.568 23.193 956 HB3 HIS 113 1HB HIS 113 0.548 -5.274 24.724 957 HD1 HIS 113 HD1 HIS 113 1.340 -2.917 25.205 958 HD2 HIS 113 HD2 HIS 113 -0.230 -3.343 21.385 959 HE1 HIS 113 HE1 HIS 113 1.060 -0.586 24.336 960 HE2 HIS 113 HE2 HIS 113 -0.075 -0.863 22.107 961 H HIS 114 H HIS 114 4.006 -5.709 21.778 962 HA HIS 114 HA HIS 114 5.251 -3.463 23.087 963 HB2 HIS 114 2HB HIS 114 7.302 -4.575 23.818 964 HB3 HIS 114 1HB HIS 114 5.944 -5.367 24.597 965 HD1 HIS 114 HD1 HIS 114 8.844 -6.013 22.429 966 HD2 HIS 114 HD2 HIS 114 5.373 -8.015 23.530 967 HE1 HIS 114 HE1 HIS 114 9.197 -8.405 21.741 968 HE2 HIS 114 HE2 HIS 114 7.154 -9.618 22.559 969 H HIS 115 H HIS 115 6.913 -2.576 21.768 970 HA HIS 115 HA HIS 115 7.009 -3.605 19.014 971 HB2 HIS 115 2HB HIS 115 7.879 -0.931 20.196 972 HB3 HIS 115 1HB HIS 115 8.126 -1.379 18.511 973 HD1 HIS 115 HD1 HIS 115 5.746 -2.059 17.250 974 HD2 HIS 115 HD2 HIS 115 5.554 0.430 20.578 975 HE1 HIS 115 HE1 HIS 115 3.491 -0.955 17.139 976 HE2 HIS 115 HE2 HIS 115 3.508 0.719 19.017 977 H HIS 116 H HIS 116 9.380 -2.092 21.256 978 HA HIS 116 HA HIS 116 11.622 -2.168 21.425 979 HB2 HIS 116 2HB HIS 116 10.948 -4.442 22.403 980 HB3 HIS 116 1HB HIS 116 11.417 -5.165 20.867 981 HD1 HIS 116 HD1 HIS 116 13.980 -5.208 20.318 982 HD2 HIS 116 HD2 HIS 116 13.080 -3.636 24.056 983 HE1 HIS 116 HE1 HIS 116 16.168 -5.081 21.542 984 HE2 HIS 116 HE2 HIS 116 15.591 -4.180 23.807 985 H HIS 117 H HIS 117 10.596 -1.467 18.928 986 HA HIS 117 HA HIS 117 12.514 -2.574 16.957 987 HB2 HIS 117 2HB HIS 117 10.088 -3.029 16.471 988 HB3 HIS 117 1HB HIS 117 9.782 -1.294 16.436 989 HD1 HIS 117 HD1 HIS 117 10.717 0.028 14.367 990 HD2 HIS 117 HD2 HIS 117 11.283 -4.087 14.184 991 HE1 HIS 117 HE1 HIS 117 11.423 -0.452 12.002 992 HE2 HIS 117 HE2 HIS 117 11.680 -2.951 11.896 993 H HIS 118 H HIS 118 13.804 -1.124 15.894 994 HA HIS 118 HA HIS 118 13.906 1.622 16.801 995 HB2 HIS 118 2HB HIS 118 16.017 0.397 16.430 996 HB3 HIS 118 1HB HIS 118 15.604 0.144 14.735 997 HD1 HIS 118 HD1 HIS 118 16.303 3.036 17.123 998 HD2 HIS 118 HD2 HIS 118 16.553 2.104 13.076 999 HE1 HIS 118 HE1 HIS 118 17.398 5.023 16.037 1000 HE2 HIS 118 HE2 HIS 118 17.547 4.434 13.593 Start of MODEL 8 1 H1 MET 1 1H MET 1 5.511 21.101 -2.060 2 H2 MET 1 2H MET 1 4.356 20.969 -0.832 3 H3 MET 1 3H MET 1 3.979 21.765 -2.275 4 HA MET 1 HA MET 1 4.658 18.920 -2.034 5 HB2 MET 1 2HB MET 1 2.180 18.566 -2.617 6 HB3 MET 1 1HB MET 1 2.528 19.135 -0.993 7 HG2 MET 1 2HG MET 1 0.587 20.293 -1.837 8 HG3 MET 1 1HG MET 1 1.910 21.438 -1.680 9 HE1 MET 1 3HE MET 1 0.386 19.812 -5.737 10 HE2 MET 1 1HE MET 1 -0.322 19.366 -4.184 11 HE3 MET 1 2HE MET 1 1.300 18.811 -4.608 12 H GLU 2 H GLU 2 4.753 17.771 -3.917 13 HA GLU 2 HA GLU 2 4.417 19.203 -6.486 14 HB2 GLU 2 2HB GLU 2 5.861 16.572 -5.902 15 HB3 GLU 2 1HB GLU 2 5.603 17.220 -7.514 16 HG2 GLU 2 2HG GLU 2 7.834 17.737 -6.974 17 HG3 GLU 2 1HG GLU 2 6.946 19.252 -6.807 18 HA PRO 3 HA PRO 3 0.517 16.858 -7.114 19 HB2 PRO 3 2HB PRO 3 1.287 17.374 -10.001 20 HB3 PRO 3 1HB PRO 3 -0.273 17.614 -9.194 21 HG2 PRO 3 2HG PRO 3 1.284 19.708 -9.751 22 HG3 PRO 3 1HG PRO 3 0.398 19.636 -8.212 23 HD2 PRO 3 2HD PRO 3 3.326 19.123 -8.744 24 HD3 PRO 3 1HD PRO 3 2.553 19.942 -7.367 25 H SER 4 H SER 4 0.302 14.647 -7.349 26 HA SER 4 HA SER 4 2.637 13.054 -7.829 27 HB2 SER 4 2HB SER 4 1.132 11.106 -7.443 28 HB3 SER 4 1HB SER 4 0.971 12.319 -6.178 29 HG SER 4 HG SER 4 -0.798 12.851 -8.123 30 H LYS 5 H LYS 5 3.183 13.692 -9.947 31 HA LYS 5 HA LYS 5 1.666 12.858 -12.269 32 HB2 LYS 5 2HB LYS 5 4.547 13.808 -11.877 33 HB3 LYS 5 1HB LYS 5 3.833 13.478 -13.450 34 HG2 LYS 5 2HG LYS 5 2.749 15.555 -11.511 35 HG3 LYS 5 1HG LYS 5 3.910 15.924 -12.792 36 HD2 LYS 5 2HD LYS 5 1.136 14.740 -13.247 37 HD3 LYS 5 1HD LYS 5 1.537 16.449 -13.419 38 HE2 LYS 5 2HE LYS 5 3.115 15.900 -15.249 39 HE3 LYS 5 1HE LYS 5 2.743 14.183 -15.061 40 HZ1 LYS 5 3HZ LYS 5 1.544 15.220 -16.890 41 HZ2 LYS 5 1HZ LYS 5 0.788 16.278 -15.811 42 HZ3 LYS 5 2HZ LYS 5 0.491 14.618 -15.718 43 H LEU 6 H LEU 6 1.335 10.684 -11.303 44 HA LEU 6 HA LEU 6 3.025 8.545 -11.736 45 HB2 LEU 6 2HB LEU 6 4.589 9.824 -10.239 46 HB3 LEU 6 1HB LEU 6 3.377 9.784 -8.971 47 HG LEU 6 HG LEU 6 3.593 7.279 -8.901 48 HD11 LEU 6 1HD1 LEU 6 4.383 6.901 -11.199 49 HD12 LEU 6 2HD1 LEU 6 5.478 6.193 -10.016 50 HD13 LEU 6 3HD1 LEU 6 5.909 7.707 -10.815 51 HD21 LEU 6 3HD2 LEU 6 4.813 8.686 -7.317 52 HD22 LEU 6 1HD2 LEU 6 6.154 8.839 -8.455 53 HD23 LEU 6 2HD2 LEU 6 5.766 7.268 -7.749 54 H SER 7 H SER 7 1.520 6.936 -11.597 55 HA SER 7 HA SER 7 -0.676 6.999 -9.693 56 HB2 SER 7 2HB SER 7 -1.288 4.790 -10.677 57 HB3 SER 7 1HB SER 7 -1.053 6.015 -11.925 58 HG SER 7 HG SER 7 0.133 3.669 -11.718 59 H TYR 8 H TYR 8 -0.929 5.482 -7.963 60 HA TYR 8 HA TYR 8 1.343 5.256 -6.327 61 HB2 TYR 8 2HB TYR 8 -0.968 5.516 -5.466 62 HB3 TYR 8 1HB TYR 8 -1.359 3.887 -6.005 63 HD1 TYR 8 HD1 TYR 8 1.635 5.245 -4.164 64 HD2 TYR 8 HD2 TYR 8 -1.704 2.575 -4.029 65 HE1 TYR 8 HE1 TYR 8 2.387 4.409 -1.987 66 HE2 TYR 8 HE2 TYR 8 -0.937 1.749 -1.840 67 HH TYR 8 HH TYR 8 1.486 3.309 -0.029 68 H GLY 9 H GLY 9 -0.016 3.025 -8.618 69 HA2 GLY 9 2HA GLY 9 1.126 0.587 -7.703 70 HA3 GLY 9 1HA GLY 9 0.576 0.931 -9.341 71 H GLU 10 H GLU 10 2.167 3.068 -9.992 72 HA GLU 10 HA GLU 10 4.664 1.862 -10.702 73 HB2 GLU 10 2HB GLU 10 3.682 4.735 -10.968 74 HB3 GLU 10 1HB GLU 10 5.119 4.083 -11.755 75 HG2 GLU 10 2HG GLU 10 2.277 3.127 -12.239 76 HG3 GLU 10 1HG GLU 10 3.140 4.286 -13.252 77 H TYR 11 H TYR 11 3.556 4.101 -8.218 78 HA TYR 11 HA TYR 11 6.083 4.981 -7.267 79 HB2 TYR 11 2HB TYR 11 3.961 6.146 -6.640 80 HB3 TYR 11 1HB TYR 11 3.466 4.744 -5.695 81 HD1 TYR 11 HD1 TYR 11 6.361 7.134 -5.978 82 HD2 TYR 11 HD2 TYR 11 3.955 4.794 -3.345 83 HE1 TYR 11 HE1 TYR 11 7.594 8.033 -4.066 84 HE2 TYR 11 HE2 TYR 11 5.194 5.703 -1.426 85 HH TYR 11 HH TYR 11 7.305 8.363 -1.676 86 H LEU 12 H LEU 12 3.966 2.280 -6.363 87 HA LEU 12 HA LEU 12 5.499 1.248 -4.224 88 HB2 LEU 12 2HB LEU 12 3.451 -0.032 -6.047 89 HB3 LEU 12 1HB LEU 12 4.197 -0.914 -4.722 90 HG LEU 12 HG LEU 12 2.588 1.639 -4.357 91 HD11 LEU 12 1HD1 LEU 12 0.802 0.209 -3.493 92 HD12 LEU 12 2HD1 LEU 12 1.723 -1.228 -3.945 93 HD13 LEU 12 3HD1 LEU 12 1.138 -0.123 -5.192 94 HD21 LEU 12 3HD2 LEU 12 2.607 1.029 -1.971 95 HD22 LEU 12 1HD2 LEU 12 4.241 1.277 -2.575 96 HD23 LEU 12 2HD2 LEU 12 3.636 -0.362 -2.319 97 H GLU 13 H GLU 13 5.552 0.636 -7.693 98 HA GLU 13 HA GLU 13 7.350 -1.547 -7.718 99 HB2 GLU 13 2HB GLU 13 6.606 0.541 -9.800 100 HB3 GLU 13 1HB GLU 13 7.749 -0.750 -10.156 101 HG2 GLU 13 2HG GLU 13 4.885 -1.188 -9.240 102 HG3 GLU 13 1HG GLU 13 5.423 -1.230 -10.923 103 H SER 14 H SER 14 7.888 1.952 -8.078 104 HA SER 14 HA SER 14 10.720 1.784 -8.427 105 HB2 SER 14 2HB SER 14 9.265 3.656 -9.251 106 HB3 SER 14 1HB SER 14 9.050 4.182 -7.586 107 HG SER 14 HG SER 14 11.425 4.141 -9.113 108 H TRP 15 H TRP 15 8.646 2.504 -5.663 109 HA TRP 15 HA TRP 15 10.546 2.937 -3.639 110 HB2 TRP 15 2HB TRP 15 8.208 3.568 -3.315 111 HB3 TRP 15 1HB TRP 15 7.673 1.911 -3.542 112 HD1 TRP 15 HD1 TRP 15 9.492 4.124 -0.931 113 HE1 TRP 15 HE1 TRP 15 9.155 3.060 1.382 114 HE3 TRP 15 HE3 TRP 15 7.159 -0.208 -2.343 115 HZ2 TRP 15 HZ2 TRP 15 8.067 0.706 2.475 116 HZ3 TRP 15 HZ3 TRP 15 6.507 -1.821 -0.601 117 HH2 TRP 15 HH2 TRP 15 6.954 -1.370 1.767 118 H PHE 16 H PHE 16 9.090 -0.014 -4.947 119 HA PHE 16 HA PHE 16 10.055 -1.854 -3.042 120 HB2 PHE 16 2HB PHE 16 8.230 -2.476 -4.559 121 HB3 PHE 16 1HB PHE 16 9.292 -2.330 -5.959 122 HD1 PHE 16 HD2 PHE 16 9.052 -4.150 -2.690 123 HD2 PHE 16 HD1 PHE 16 10.353 -4.281 -6.752 124 HE1 PHE 16 HE2 PHE 16 9.777 -6.465 -2.404 125 HE2 PHE 16 HE1 PHE 16 11.083 -6.596 -6.456 126 HZ PHE 16 HZ PHE 16 10.797 -7.692 -4.278 127 H ASN 17 H ASN 17 11.487 -0.648 -6.094 128 HA ASN 17 HA ASN 17 13.739 -2.325 -6.247 129 HB2 ASN 17 2HB ASN 17 13.445 0.590 -7.096 130 HB3 ASN 17 1HB ASN 17 14.880 -0.368 -7.443 131 HD21 ASN 17 1HD2 ASN 17 11.556 0.194 -8.274 132 HD22 ASN 17 2HD2 ASN 17 11.538 -0.793 -9.690 133 H THR 18 H THR 18 13.245 0.695 -4.463 134 HA THR 18 HA THR 18 15.779 0.888 -3.202 135 HB THR 18 HB THR 18 13.097 1.951 -2.189 136 HG1 THR 18 HG1 THR 18 13.446 3.702 -3.514 137 HG21 THR 18 3HG2 THR 18 14.453 3.760 -1.171 138 HG22 THR 18 1HG2 THR 18 15.931 3.000 -1.765 139 HG23 THR 18 2HG2 THR 18 14.945 2.183 -0.548 140 H LYS 19 H LYS 19 12.753 -0.737 -2.363 141 HA LYS 19 HA LYS 19 13.184 -1.060 0.415 142 HB2 LYS 19 2HB LYS 19 10.948 -1.051 -0.789 143 HB3 LYS 19 1HB LYS 19 11.320 -2.652 -1.400 144 HG2 LYS 19 2HG LYS 19 9.805 -2.793 0.507 145 HG3 LYS 19 1HG LYS 19 11.361 -3.540 0.904 146 HD2 LYS 19 2HD LYS 19 12.043 -1.548 2.157 147 HD3 LYS 19 1HD LYS 19 10.574 -0.695 1.670 148 HE2 LYS 19 2HE LYS 19 9.209 -2.254 2.968 149 HE3 LYS 19 1HE LYS 19 10.643 -3.198 3.384 150 HZ1 LYS 19 3HZ LYS 19 11.503 -1.324 4.590 151 HZ2 LYS 19 1HZ LYS 19 9.952 -1.686 5.152 152 HZ3 LYS 19 2HZ LYS 19 10.196 -0.364 4.127 153 H ARG 20 H ARG 20 13.866 -3.060 -2.378 154 HA ARG 20 HA ARG 20 14.559 -5.508 -1.288 155 HB2 ARG 20 2HB ARG 20 15.751 -4.020 -3.653 156 HB3 ARG 20 1HB ARG 20 16.082 -5.717 -3.314 157 HG2 ARG 20 2HG ARG 20 13.760 -6.306 -3.674 158 HG3 ARG 20 1HG ARG 20 13.299 -4.609 -3.809 159 HD2 ARG 20 2HD ARG 20 13.393 -5.651 -6.017 160 HD3 ARG 20 1HD ARG 20 14.635 -4.406 -5.875 161 HE ARG 20 HE ARG 20 15.843 -6.801 -5.178 162 HH11 ARG 20 1HH1 ARG 20 14.345 -5.486 -8.069 163 HH12 ARG 20 2HH1 ARG 20 15.307 -6.444 -9.144 164 HH21 ARG 20 1HH2 ARG 20 17.121 -8.016 -6.614 165 HH22 ARG 20 2HH2 ARG 20 16.881 -7.870 -8.326 166 H HIS 21 H HIS 21 16.363 -2.509 -1.117 167 HA HIS 21 HA HIS 21 18.886 -3.715 -0.339 168 HB2 HIS 21 2HB HIS 21 17.988 -0.800 -0.333 169 HB3 HIS 21 1HB HIS 21 19.633 -1.349 -0.028 170 HD1 HIS 21 HD1 HIS 21 21.088 -1.205 -2.017 171 HD2 HIS 21 HD2 HIS 21 17.117 -1.798 -3.075 172 HE1 HIS 21 HE1 HIS 21 21.051 -1.191 -4.523 173 HE2 HIS 21 HE2 HIS 21 18.621 -1.457 -5.141 174 H SER 22 H SER 22 16.015 -2.689 1.283 175 HA SER 22 HA SER 22 17.252 -2.586 3.940 176 HB2 SER 22 2HB SER 22 14.351 -2.185 3.074 177 HB3 SER 22 1HB SER 22 14.996 -1.883 4.692 178 HG SER 22 HG SER 22 16.538 -0.531 3.082 179 H VAL 23 H VAL 23 15.126 -4.638 1.992 180 HA VAL 23 HA VAL 23 14.820 -6.594 4.204 181 HB VAL 23 HB VAL 23 12.784 -7.395 3.177 182 HG11 VAL 23 1HG1 VAL 23 12.710 -4.348 3.210 183 HG12 VAL 23 2HG1 VAL 23 12.512 -5.408 4.607 184 HG13 VAL 23 3HG1 VAL 23 11.306 -5.416 3.322 185 HG21 VAL 23 3HG2 VAL 23 11.812 -6.418 1.077 186 HG22 VAL 23 1HG2 VAL 23 13.337 -7.264 0.799 187 HG23 VAL 23 2HG2 VAL 23 13.306 -5.505 0.844 188 H GLY 24 H GLY 24 14.917 -8.875 3.644 189 HA2 GLY 24 2HA GLY 24 17.069 -9.547 1.881 190 HA3 GLY 24 1HA GLY 24 16.076 -10.674 2.794 191 H ILE 25 H ILE 25 16.773 -11.558 0.450 192 HA ILE 25 HA ILE 25 15.408 -10.833 -1.888 193 HB ILE 25 HB ILE 25 16.360 -13.632 -1.115 194 HG12 ILE 25 2HG1 ILE 25 18.216 -12.011 -0.904 195 HG13 ILE 25 1HG1 ILE 25 18.498 -13.105 -2.250 196 HG21 ILE 25 1HG2 ILE 25 14.894 -13.732 -3.070 197 HG22 ILE 25 2HG2 ILE 25 16.555 -14.062 -3.559 198 HG23 ILE 25 3HG2 ILE 25 15.839 -12.482 -3.888 199 HD11 ILE 25 3HD1 ILE 25 19.165 -10.856 -2.800 200 HD12 ILE 25 1HD1 ILE 25 17.542 -10.255 -2.445 201 HD13 ILE 25 2HD1 ILE 25 17.803 -11.354 -3.801 202 H GLN 26 H GLN 26 14.537 -13.168 0.638 203 HA GLN 26 HA GLN 26 12.245 -14.263 -0.635 204 HB2 GLN 26 2HB GLN 26 11.716 -15.289 1.536 205 HB3 GLN 26 1HB GLN 26 13.423 -15.475 1.157 206 HG2 GLN 26 2HG GLN 26 14.004 -13.690 2.734 207 HG3 GLN 26 1HG GLN 26 12.298 -13.393 3.055 208 HE21 GLN 26 1HE2 GLN 26 13.809 -16.585 2.765 209 HE22 GLN 26 2HE2 GLN 26 13.568 -17.039 4.410 210 H THR 27 H THR 27 12.614 -11.752 1.869 211 HA THR 27 HA THR 27 9.881 -11.208 2.273 212 HB THR 27 HB THR 27 12.176 -9.244 2.716 213 HG1 THR 27 HG1 THR 27 12.826 -10.487 4.290 214 HG21 THR 27 3HG2 THR 27 10.771 -8.437 4.597 215 HG22 THR 27 1HG2 THR 27 9.509 -9.585 4.156 216 HG23 THR 27 2HG2 THR 27 9.925 -8.264 3.059 217 H ALA 28 H ALA 28 12.254 -9.941 0.015 218 HA ALA 28 HA ALA 28 10.851 -7.741 -1.030 219 HB1 ALA 28 3HB ALA 28 12.831 -9.580 -2.432 220 HB2 ALA 28 1HB ALA 28 13.243 -8.152 -1.479 221 HB3 ALA 28 2HB ALA 28 12.346 -7.976 -2.988 222 H LYS 29 H LYS 29 11.015 -11.130 -2.120 223 HA LYS 29 HA LYS 29 9.169 -10.967 -4.241 224 HB2 LYS 29 2HB LYS 29 10.886 -12.744 -3.881 225 HB3 LYS 29 1HB LYS 29 9.943 -13.377 -2.545 226 HG2 LYS 29 2HG LYS 29 8.724 -13.218 -5.307 227 HG3 LYS 29 1HG LYS 29 9.847 -14.519 -4.924 228 HD2 LYS 29 2HD LYS 29 7.218 -13.935 -3.499 229 HD3 LYS 29 1HD LYS 29 7.517 -15.255 -4.637 230 HE2 LYS 29 2HE LYS 29 9.195 -16.199 -3.054 231 HE3 LYS 29 1HE LYS 29 8.844 -14.894 -1.919 232 HZ1 LYS 29 3HZ LYS 29 7.676 -16.936 -1.386 233 HZ2 LYS 29 1HZ LYS 29 6.879 -16.895 -2.877 234 HZ3 LYS 29 2HZ LYS 29 6.600 -15.680 -1.735 235 H VAL 30 H VAL 30 8.707 -11.481 -0.781 236 HA VAL 30 HA VAL 30 5.971 -12.292 -0.803 237 HB VAL 30 HB VAL 30 7.644 -10.997 1.404 238 HG11 VAL 30 1HG1 VAL 30 4.902 -12.295 1.661 239 HG12 VAL 30 2HG1 VAL 30 5.260 -10.580 1.873 240 HG13 VAL 30 3HG1 VAL 30 5.912 -11.762 3.009 241 HG21 VAL 30 3HG2 VAL 30 8.460 -13.216 0.702 242 HG22 VAL 30 1HG2 VAL 30 6.858 -13.904 0.960 243 HG23 VAL 30 2HG2 VAL 30 7.789 -13.293 2.331 244 H LEU 31 H LEU 31 7.513 -9.109 -0.222 245 HA LEU 31 HA LEU 31 5.164 -7.646 0.329 246 HB2 LEU 31 2HB LEU 31 7.820 -6.590 -0.730 247 HB3 LEU 31 1HB LEU 31 6.536 -5.603 -0.042 248 HG LEU 31 HG LEU 31 8.241 -7.638 1.447 249 HD11 LEU 31 1HD1 LEU 31 8.125 -4.622 1.712 250 HD12 LEU 31 2HD1 LEU 31 9.418 -5.547 0.946 251 HD13 LEU 31 3HD1 LEU 31 9.123 -5.719 2.673 252 HD21 LEU 31 3HD2 LEU 31 5.972 -7.701 2.362 253 HD22 LEU 31 1HD2 LEU 31 5.975 -5.944 2.543 254 HD23 LEU 31 2HD2 LEU 31 7.076 -6.935 3.501 255 H LYS 32 H LYS 32 7.034 -8.060 -2.660 256 HA LYS 32 HA LYS 32 5.542 -6.270 -4.289 257 HB2 LYS 32 2HB LYS 32 7.866 -7.123 -4.786 258 HB3 LYS 32 1HB LYS 32 7.161 -8.681 -5.200 259 HG2 LYS 32 2HG LYS 32 5.814 -7.482 -6.996 260 HG3 LYS 32 1HG LYS 32 6.751 -6.030 -6.628 261 HD2 LYS 32 2HD LYS 32 8.838 -7.297 -7.200 262 HD3 LYS 32 1HD LYS 32 7.840 -8.675 -7.666 263 HE2 LYS 32 2HE LYS 32 8.486 -7.439 -9.654 264 HE3 LYS 32 1HE LYS 32 6.750 -7.246 -9.399 265 HZ1 LYS 32 3HZ LYS 32 8.820 -5.281 -8.613 266 HZ2 LYS 32 1HZ LYS 32 7.147 -5.077 -8.469 267 HZ3 LYS 32 2HZ LYS 32 7.859 -5.179 -9.997 268 H GLY 33 H GLY 33 5.298 -9.707 -3.575 269 HA2 GLY 33 2HA GLY 33 3.341 -10.514 -5.421 270 HA3 GLY 33 1HA GLY 33 3.624 -11.250 -3.849 271 H TYR 34 H TYR 34 3.029 -9.036 -2.218 272 HA TYR 34 HA TYR 34 0.156 -9.090 -2.147 273 HB2 TYR 34 2HB TYR 34 2.235 -7.631 -0.478 274 HB3 TYR 34 1HB TYR 34 0.506 -7.442 -0.208 275 HD1 TYR 34 HD2 TYR 34 -0.538 -10.169 -0.501 276 HD2 TYR 34 HD1 TYR 34 3.054 -8.829 1.401 277 HE1 TYR 34 HE2 TYR 34 -0.586 -12.127 0.975 278 HE2 TYR 34 HE1 TYR 34 2.990 -10.789 2.880 279 HH TYR 34 HH TYR 34 0.998 -13.452 2.318 280 H LEU 35 H LEU 35 2.619 -6.726 -3.119 281 HA LEU 35 HA LEU 35 0.971 -4.435 -3.206 282 HB2 LEU 35 2HB LEU 35 3.552 -5.064 -4.673 283 HB3 LEU 35 1HB LEU 35 2.761 -3.498 -4.770 284 HG LEU 35 HG LEU 35 3.920 -4.767 -2.256 285 HD11 LEU 35 1HD1 LEU 35 5.651 -3.898 -3.748 286 HD12 LEU 35 2HD1 LEU 35 5.538 -2.927 -2.283 287 HD13 LEU 35 3HD1 LEU 35 4.854 -2.323 -3.796 288 HD21 LEU 35 3HD2 LEU 35 3.343 -2.649 -1.112 289 HD22 LEU 35 1HD2 LEU 35 1.917 -3.532 -1.646 290 HD23 LEU 35 2HD2 LEU 35 2.467 -2.118 -2.547 291 H ASN 36 H ASN 36 2.077 -6.535 -5.873 292 HA ASN 36 HA ASN 36 0.520 -5.169 -7.849 293 HB2 ASN 36 2HB ASN 36 2.129 -7.746 -7.963 294 HB3 ASN 36 1HB ASN 36 1.274 -7.089 -9.363 295 HD21 ASN 36 1HD2 ASN 36 3.897 -6.515 -7.093 296 HD22 ASN 36 2HD2 ASN 36 4.695 -5.312 -8.041 297 H SER 37 H SER 37 -0.099 -7.982 -5.833 298 HA SER 37 HA SER 37 -2.310 -8.999 -7.379 299 HB2 SER 37 2HB SER 37 -1.058 -10.504 -5.883 300 HB3 SER 37 1HB SER 37 -1.517 -9.537 -4.485 301 HG SER 37 HG SER 37 -3.528 -10.603 -6.128 302 H ARG 38 H ARG 38 -2.024 -7.043 -4.405 303 HA ARG 38 HA ARG 38 -4.955 -6.857 -4.206 304 HB2 ARG 38 2HB ARG 38 -2.807 -6.221 -2.155 305 HB3 ARG 38 1HB ARG 38 -4.539 -6.137 -1.866 306 HG2 ARG 38 2HG ARG 38 -3.029 -8.676 -2.580 307 HG3 ARG 38 1HG ARG 38 -3.477 -8.195 -0.943 308 HD2 ARG 38 2HD ARG 38 -5.095 -9.804 -1.641 309 HD3 ARG 38 1HD ARG 38 -5.913 -8.246 -1.732 310 HE ARG 38 HE ARG 38 -4.940 -8.718 -4.267 311 HH11 ARG 38 1HH1 ARG 38 -7.077 -10.461 -2.131 312 HH12 ARG 38 2HH1 ARG 38 -8.034 -11.107 -3.419 313 HH21 ARG 38 1HH2 ARG 38 -6.194 -9.542 -5.943 314 HH22 ARG 38 2HH2 ARG 38 -7.532 -10.590 -5.596 315 H ILE 39 H ILE 39 -2.102 -4.664 -3.932 316 HA ILE 39 HA ILE 39 -3.859 -2.407 -3.568 317 HB ILE 39 HB ILE 39 -0.815 -2.399 -3.822 318 HG12 ILE 39 2HG1 ILE 39 -1.009 -1.869 -1.259 319 HG13 ILE 39 1HG1 ILE 39 -2.639 -2.512 -1.371 320 HG21 ILE 39 1HG2 ILE 39 -0.975 -0.114 -2.832 321 HG22 ILE 39 2HG2 ILE 39 -2.738 -0.208 -2.929 322 HG23 ILE 39 3HG2 ILE 39 -1.771 -0.223 -4.404 323 HD11 ILE 39 3HD1 ILE 39 -1.198 -4.175 -0.494 324 HD12 ILE 39 1HD1 ILE 39 -0.049 -3.969 -1.815 325 HD13 ILE 39 2HD1 ILE 39 -1.637 -4.669 -2.129 326 H ILE 40 H ILE 40 -1.630 -3.479 -6.205 327 HA ILE 40 HA ILE 40 -1.742 -1.184 -7.780 328 HB ILE 40 HB ILE 40 -0.935 -4.011 -8.337 329 HG12 ILE 40 2HG1 ILE 40 1.143 -2.935 -9.208 330 HG13 ILE 40 1HG1 ILE 40 0.408 -1.352 -9.029 331 HG21 ILE 40 1HG2 ILE 40 -0.618 -3.678 -10.777 332 HG22 ILE 40 2HG2 ILE 40 -1.514 -2.160 -10.678 333 HG23 ILE 40 3HG2 ILE 40 -2.321 -3.686 -10.316 334 HD11 ILE 40 3HD1 ILE 40 1.979 -1.756 -7.266 335 HD12 ILE 40 1HD1 ILE 40 1.151 -3.244 -6.815 336 HD13 ILE 40 2HD1 ILE 40 0.350 -1.688 -6.589 337 HA PRO 41 HA PRO 41 -5.637 -2.899 -10.192 338 HB2 PRO 41 2HB PRO 41 -6.881 -4.912 -8.381 339 HB3 PRO 41 1HB PRO 41 -6.570 -5.013 -10.117 340 HG2 PRO 41 2HG PRO 41 -5.122 -6.449 -8.375 341 HG3 PRO 41 1HG PRO 41 -4.363 -5.726 -9.814 342 HD2 PRO 41 2HD PRO 41 -4.380 -4.690 -6.964 343 HD3 PRO 41 1HD PRO 41 -3.005 -4.867 -8.078 344 H SER 42 H SER 42 -5.576 -2.346 -6.738 345 HA SER 42 HA SER 42 -8.319 -1.243 -6.741 346 HB2 SER 42 2HB SER 42 -6.443 -1.736 -4.390 347 HB3 SER 42 1HB SER 42 -8.155 -1.305 -4.294 348 HG SER 42 HG SER 42 -7.116 -3.712 -4.441 349 H LEU 43 H LEU 43 -5.301 -0.232 -5.099 350 HA LEU 43 HA LEU 43 -6.085 2.590 -5.271 351 HB2 LEU 43 2HB LEU 43 -3.853 1.336 -3.629 352 HB3 LEU 43 1HB LEU 43 -4.525 2.951 -3.439 353 HG LEU 43 HG LEU 43 -5.942 0.327 -2.818 354 HD11 LEU 43 1HD1 LEU 43 -5.858 1.025 -0.479 355 HD12 LEU 43 2HD1 LEU 43 -4.954 2.476 -0.922 356 HD13 LEU 43 3HD1 LEU 43 -4.238 0.878 -1.156 357 HD21 LEU 43 3HD2 LEU 43 -7.566 1.953 -3.659 358 HD22 LEU 43 1HD2 LEU 43 -6.992 3.165 -2.507 359 HD23 LEU 43 2HD2 LEU 43 -7.790 1.698 -1.933 360 H GLY 44 H GLY 44 -4.014 0.427 -6.835 361 HA2 GLY 44 2HA GLY 44 -1.639 2.001 -7.090 362 HA3 GLY 44 1HA GLY 44 -2.021 0.527 -7.960 363 H ASN 45 H ASN 45 -4.339 1.241 -9.317 364 HA ASN 45 HA ASN 45 -3.420 2.765 -11.523 365 HB2 ASN 45 2HB ASN 45 -6.270 1.993 -10.756 366 HB3 ASN 45 1HB ASN 45 -5.818 2.696 -12.307 367 HD21 ASN 45 1HD2 ASN 45 -5.795 -0.175 -10.350 368 HD22 ASN 45 2HD2 ASN 45 -5.238 -1.255 -11.576 369 H ILE 46 H ILE 46 -4.985 3.689 -8.566 370 HA ILE 46 HA ILE 46 -5.822 6.337 -9.318 371 HB ILE 46 HB ILE 46 -5.216 5.233 -6.527 372 HG12 ILE 46 2HG1 ILE 46 -7.912 5.262 -7.974 373 HG13 ILE 46 1HG1 ILE 46 -6.902 3.835 -7.758 374 HG21 ILE 46 1HG2 ILE 46 -5.364 7.697 -6.561 375 HG22 ILE 46 2HG2 ILE 46 -6.721 6.996 -5.679 376 HG23 ILE 46 3HG2 ILE 46 -6.955 7.601 -7.320 377 HD11 ILE 46 3HD1 ILE 46 -8.256 5.426 -5.581 378 HD12 ILE 46 1HD1 ILE 46 -7.166 4.063 -5.308 379 HD13 ILE 46 2HD1 ILE 46 -8.688 3.819 -6.160 380 H LYS 47 H LYS 47 -4.637 8.267 -9.169 381 HA LYS 47 HA LYS 47 -1.793 8.245 -9.044 382 HB2 LYS 47 2HB LYS 47 -3.699 10.611 -8.737 383 HB3 LYS 47 1HB LYS 47 -1.959 10.738 -9.000 384 HG2 LYS 47 2HG LYS 47 -3.983 9.551 -10.931 385 HG3 LYS 47 1HG LYS 47 -3.222 11.140 -11.070 386 HD2 LYS 47 2HD LYS 47 -1.005 10.059 -11.347 387 HD3 LYS 47 1HD LYS 47 -1.746 8.467 -11.168 388 HE2 LYS 47 2HE LYS 47 -1.335 8.919 -13.525 389 HE3 LYS 47 1HE LYS 47 -3.074 8.878 -13.236 390 HZ1 LYS 47 3HZ LYS 47 -1.415 11.334 -13.485 391 HZ2 LYS 47 1HZ LYS 47 -3.084 11.301 -13.205 392 HZ3 LYS 47 2HZ LYS 47 -2.459 10.721 -14.666 393 H LEU 48 H LEU 48 -0.413 8.922 -7.410 394 HA LEU 48 HA LEU 48 -0.843 7.791 -4.933 395 HB2 LEU 48 2HB LEU 48 1.362 8.045 -5.821 396 HB3 LEU 48 1HB LEU 48 1.215 9.787 -5.899 397 HG LEU 48 HG LEU 48 1.346 9.935 -3.424 398 HD11 LEU 48 1HD1 LEU 48 0.326 7.785 -2.818 399 HD12 LEU 48 2HD1 LEU 48 1.903 7.979 -2.056 400 HD13 LEU 48 3HD1 LEU 48 1.730 6.931 -3.465 401 HD21 LEU 48 3HD2 LEU 48 3.606 8.310 -4.635 402 HD22 LEU 48 1HD2 LEU 48 3.707 9.314 -3.186 403 HD23 LEU 48 2HD2 LEU 48 3.415 10.062 -4.754 404 H ALA 49 H ALA 49 -1.172 11.218 -5.768 405 HA ALA 49 HA ALA 49 -1.540 12.155 -3.071 406 HB1 ALA 49 3HB ALA 49 -2.094 13.588 -5.688 407 HB2 ALA 49 1HB ALA 49 -0.565 13.605 -4.806 408 HB3 ALA 49 2HB ALA 49 -2.002 14.333 -4.088 409 H LYS 50 H LYS 50 -3.621 10.977 -5.598 410 HA LYS 50 HA LYS 50 -6.088 12.111 -4.601 411 HB2 LYS 50 2HB LYS 50 -5.680 9.880 -6.636 412 HB3 LYS 50 1HB LYS 50 -7.178 10.772 -6.359 413 HG2 LYS 50 2HG LYS 50 -4.578 11.902 -7.453 414 HG3 LYS 50 1HG LYS 50 -6.040 11.547 -8.384 415 HD2 LYS 50 2HD LYS 50 -7.265 13.294 -7.102 416 HD3 LYS 50 1HD LYS 50 -5.800 13.644 -6.174 417 HE2 LYS 50 2HE LYS 50 -4.666 14.310 -8.302 418 HE3 LYS 50 1HE LYS 50 -6.177 14.024 -9.168 419 HZ1 LYS 50 3HZ LYS 50 -7.218 15.736 -7.832 420 HZ2 LYS 50 1HZ LYS 50 -5.876 16.345 -8.659 421 HZ3 LYS 50 2HZ LYS 50 -5.768 16.006 -7.007 422 H LEU 51 H LEU 51 -4.169 9.508 -3.591 423 HA LEU 51 HA LEU 51 -6.098 7.701 -2.588 424 HB2 LEU 51 2HB LEU 51 -3.233 8.304 -1.886 425 HB3 LEU 51 1HB LEU 51 -4.171 7.345 -0.757 426 HG LEU 51 HG LEU 51 -4.587 5.642 -2.504 427 HD11 LEU 51 1HD1 LEU 51 -2.770 7.289 -4.283 428 HD12 LEU 51 2HD1 LEU 51 -4.500 7.045 -4.512 429 HD13 LEU 51 3HD1 LEU 51 -3.400 5.676 -4.640 430 HD21 LEU 51 3HD2 LEU 51 -2.349 4.711 -2.550 431 HD22 LEU 51 1HD2 LEU 51 -2.657 5.447 -0.983 432 HD23 LEU 51 2HD2 LEU 51 -1.644 6.281 -2.165 433 H THR 52 H THR 52 -7.799 8.645 -1.601 434 HA THR 52 HA THR 52 -7.443 10.280 0.810 435 HB THR 52 HB THR 52 -9.175 10.973 -0.823 436 HG1 THR 52 HG1 THR 52 -9.564 11.460 1.345 437 HG21 THR 52 3HG2 THR 52 -10.569 8.354 -0.167 438 HG22 THR 52 1HG2 THR 52 -9.823 8.761 -1.716 439 HG23 THR 52 2HG2 THR 52 -11.232 9.664 -1.150 440 H SER 53 H SER 53 -8.865 9.619 2.716 441 HA SER 53 HA SER 53 -8.088 7.060 3.688 442 HB2 SER 53 2HB SER 53 -8.420 9.107 5.135 443 HB3 SER 53 1HB SER 53 -10.160 8.953 4.898 444 HG SER 53 HG SER 53 -10.189 7.436 6.346 445 H LEU 54 H LEU 54 -10.998 8.264 2.141 446 HA LEU 54 HA LEU 54 -12.796 6.146 2.629 447 HB2 LEU 54 2HB LEU 54 -13.546 8.236 1.646 448 HB3 LEU 54 1HB LEU 54 -12.509 8.016 0.253 449 HG LEU 54 HG LEU 54 -13.896 6.076 -0.485 450 HD11 LEU 54 1HD1 LEU 54 -15.727 6.784 1.832 451 HD12 LEU 54 2HD1 LEU 54 -14.770 5.309 1.661 452 HD13 LEU 54 3HD1 LEU 54 -16.087 5.634 0.539 453 HD21 LEU 54 3HD2 LEU 54 -15.502 8.623 -0.073 454 HD22 LEU 54 1HD2 LEU 54 -15.829 7.364 -1.270 455 HD23 LEU 54 2HD2 LEU 54 -14.355 8.325 -1.383 456 H HIS 55 H HIS 55 -10.212 6.507 0.208 457 HA HIS 55 HA HIS 55 -10.759 4.185 -1.343 458 HB2 HIS 55 2HB HIS 55 -8.197 5.785 -0.969 459 HB3 HIS 55 1HB HIS 55 -8.291 4.402 -2.047 460 HD1 HIS 55 HD1 HIS 55 -7.497 6.927 -3.317 461 HD2 HIS 55 HD2 HIS 55 -11.491 5.880 -2.863 462 HE1 HIS 55 HE1 HIS 55 -8.719 8.208 -5.069 463 HE2 HIS 55 HE2 HIS 55 -11.158 7.688 -4.675 464 H MET 56 H MET 56 -8.797 4.778 1.527 465 HA MET 56 HA MET 56 -7.578 2.198 1.683 466 HB2 MET 56 2HB MET 56 -7.977 4.354 3.801 467 HB3 MET 56 1HB MET 56 -7.008 2.903 4.044 468 HG2 MET 56 2HG MET 56 -6.492 5.047 1.989 469 HG3 MET 56 1HG MET 56 -5.585 4.783 3.483 470 HE1 MET 56 3HE MET 56 -3.204 3.663 0.473 471 HE2 MET 56 1HE MET 56 -3.408 4.832 1.776 472 HE3 MET 56 2HE MET 56 -4.458 4.898 0.358 473 H GLN 57 H GLN 57 -10.472 3.656 3.060 474 HA GLN 57 HA GLN 57 -11.231 1.583 4.812 475 HB2 GLN 57 2HB GLN 57 -12.170 3.887 4.913 476 HB3 GLN 57 1HB GLN 57 -12.990 3.629 3.382 477 HG2 GLN 57 2HG GLN 57 -14.502 3.438 5.335 478 HG3 GLN 57 1HG GLN 57 -14.457 1.965 4.374 479 HE21 GLN 57 1HE2 GLN 57 -13.581 0.082 5.273 480 HE22 GLN 57 2HE2 GLN 57 -13.204 -0.065 6.950 481 H ASN 58 H ASN 58 -12.223 2.304 1.471 482 HA ASN 58 HA ASN 58 -13.953 0.071 1.112 483 HB2 ASN 58 2HB ASN 58 -12.537 1.818 -0.947 484 HB3 ASN 58 1HB ASN 58 -13.791 0.642 -1.342 485 HD21 ASN 58 1HD2 ASN 58 -13.762 3.510 -1.750 486 HD22 ASN 58 2HD2 ASN 58 -15.150 4.133 -0.935 487 H TYR 59 H TYR 59 -10.508 0.546 0.656 488 HA TYR 59 HA TYR 59 -9.912 -1.790 -0.835 489 HB2 TYR 59 2HB TYR 59 -8.291 0.023 -0.714 490 HB3 TYR 59 1HB TYR 59 -8.214 -0.088 1.040 491 HD1 TYR 59 HD2 TYR 59 -7.498 -2.092 -2.064 492 HD2 TYR 59 HD1 TYR 59 -6.515 -1.405 2.041 493 HE1 TYR 59 HE2 TYR 59 -5.622 -3.671 -2.242 494 HE2 TYR 59 HE1 TYR 59 -4.654 -2.983 1.859 495 HH TYR 59 HH TYR 59 -3.960 -4.826 0.519 496 H VAL 60 H VAL 60 -9.803 -1.089 2.657 497 HA VAL 60 HA VAL 60 -9.021 -3.658 3.542 498 HB VAL 60 HB VAL 60 -10.424 -1.384 5.011 499 HG11 VAL 60 1HG1 VAL 60 -9.773 -2.495 7.132 500 HG12 VAL 60 2HG1 VAL 60 -9.198 -3.895 6.223 501 HG13 VAL 60 3HG1 VAL 60 -10.914 -3.480 6.214 502 HG21 VAL 60 3HG2 VAL 60 -7.517 -2.294 5.022 503 HG22 VAL 60 1HG2 VAL 60 -8.180 -0.967 5.979 504 HG23 VAL 60 2HG2 VAL 60 -8.149 -0.856 4.219 505 H ASN 61 H ASN 61 -12.192 -2.211 2.998 506 HA ASN 61 HA ASN 61 -13.820 -4.290 4.000 507 HB2 ASN 61 2HB ASN 61 -14.387 -2.340 1.726 508 HB3 ASN 61 1HB ASN 61 -15.601 -3.367 2.484 509 HD21 ASN 61 1HD2 ASN 61 -15.494 -0.456 2.280 510 HD22 ASN 61 2HD2 ASN 61 -15.552 0.140 3.900 511 H SER 62 H SER 62 -12.349 -3.710 0.821 512 HA SER 62 HA SER 62 -13.513 -5.862 -0.582 513 HB2 SER 62 2HB SER 62 -12.423 -3.944 -1.734 514 HB3 SER 62 1HB SER 62 -10.850 -4.467 -1.127 515 HG SER 62 HG SER 62 -12.290 -6.408 -2.471 516 H LEU 63 H LEU 63 -10.567 -5.611 1.390 517 HA LEU 63 HA LEU 63 -9.339 -8.077 0.800 518 HB2 LEU 63 2HB LEU 63 -9.315 -6.577 3.446 519 HB3 LEU 63 1HB LEU 63 -8.156 -7.806 2.950 520 HG LEU 63 HG LEU 63 -8.509 -5.084 1.638 521 HD11 LEU 63 1HD1 LEU 63 -6.302 -6.075 3.458 522 HD12 LEU 63 2HD1 LEU 63 -7.534 -4.876 3.864 523 HD13 LEU 63 3HD1 LEU 63 -6.335 -4.521 2.623 524 HD21 LEU 63 3HD2 LEU 63 -6.454 -7.243 1.057 525 HD22 LEU 63 1HD2 LEU 63 -6.467 -5.618 0.363 526 HD23 LEU 63 2HD2 LEU 63 -7.772 -6.743 -0.005 527 H ARG 64 H ARG 64 -11.799 -7.209 3.190 528 HA ARG 64 HA ARG 64 -11.992 -9.738 4.471 529 HB2 ARG 64 2HB ARG 64 -12.825 -7.479 5.369 530 HB3 ARG 64 1HB ARG 64 -14.206 -7.655 4.291 531 HG2 ARG 64 2HG ARG 64 -14.813 -9.777 5.446 532 HG3 ARG 64 1HG ARG 64 -13.451 -9.553 6.542 533 HD2 ARG 64 2HD ARG 64 -14.540 -7.332 7.221 534 HD3 ARG 64 1HD ARG 64 -15.971 -7.872 6.327 535 HE ARG 64 HE ARG 64 -14.812 -9.160 8.736 536 HH11 ARG 64 1HH1 ARG 64 -17.586 -8.772 6.609 537 HH12 ARG 64 2HH1 ARG 64 -18.667 -9.591 7.683 538 HH21 ARG 64 1HH2 ARG 64 -16.244 -10.236 10.118 539 HH22 ARG 64 2HH2 ARG 64 -17.905 -10.432 9.662 540 H ASP 65 H ASP 65 -13.579 -8.275 1.667 541 HA ASP 65 HA ASP 65 -15.506 -10.327 1.160 542 HB2 ASP 65 2HB ASP 65 -14.304 -8.254 -0.727 543 HB3 ASP 65 1HB ASP 65 -15.677 -9.278 -1.128 544 H GLU 66 H GLU 66 -12.095 -9.924 0.330 545 HA GLU 66 HA GLU 66 -12.013 -12.136 -1.555 546 HB2 GLU 66 2HB GLU 66 -9.637 -10.777 -0.205 547 HB3 GLU 66 1HB GLU 66 -9.597 -11.782 -1.650 548 HG2 GLU 66 2HG GLU 66 -10.670 -8.973 -1.355 549 HG3 GLU 66 1HG GLU 66 -9.344 -9.530 -2.366 550 H GLY 67 H GLY 67 -12.284 -11.986 1.761 551 HA2 GLY 67 2HA GLY 67 -12.255 -13.619 3.374 552 HA3 GLY 67 1HA GLY 67 -11.836 -14.788 2.131 553 H LEU 68 H LEU 68 -9.930 -11.926 2.710 554 HA LEU 68 HA LEU 68 -7.569 -13.456 3.372 555 HB2 LEU 68 2HB LEU 68 -8.010 -10.447 3.225 556 HB3 LEU 68 1HB LEU 68 -6.449 -11.231 3.431 557 HG LEU 68 HG LEU 68 -8.228 -11.459 0.965 558 HD11 LEU 68 1HD1 LEU 68 -6.494 -10.155 -0.169 559 HD12 LEU 68 2HD1 LEU 68 -5.602 -9.997 1.346 560 HD13 LEU 68 3HD1 LEU 68 -7.192 -9.251 1.174 561 HD21 LEU 68 3HD2 LEU 68 -6.334 -12.665 -0.074 562 HD22 LEU 68 1HD2 LEU 68 -6.970 -13.542 1.318 563 HD23 LEU 68 2HD2 LEU 68 -5.465 -12.631 1.463 564 H LYS 69 H LYS 69 -6.653 -13.689 5.334 565 HA LYS 69 HA LYS 69 -8.172 -13.235 7.712 566 HB2 LYS 69 2HB LYS 69 -6.234 -14.198 8.906 567 HB3 LYS 69 1HB LYS 69 -6.672 -15.174 7.509 568 HG2 LYS 69 2HG LYS 69 -4.798 -14.210 6.233 569 HG3 LYS 69 1HG LYS 69 -4.362 -13.199 7.609 570 HD2 LYS 69 2HD LYS 69 -2.888 -15.161 7.453 571 HD3 LYS 69 1HD LYS 69 -3.841 -15.210 8.938 572 HE2 LYS 69 2HE LYS 69 -3.713 -17.435 7.896 573 HE3 LYS 69 1HE LYS 69 -5.371 -16.847 7.911 574 HZ1 LYS 69 3HZ LYS 69 -5.241 -16.337 5.611 575 HZ2 LYS 69 1HZ LYS 69 -4.691 -17.919 5.817 576 HZ3 LYS 69 2HZ LYS 69 -3.585 -16.667 5.552 577 H ARG 70 H ARG 70 -7.513 -11.985 9.567 578 HA ARG 70 HA ARG 70 -6.842 -9.315 9.130 579 HB2 ARG 70 2HB ARG 70 -6.595 -9.108 11.585 580 HB3 ARG 70 1HB ARG 70 -8.017 -10.063 11.156 581 HG2 ARG 70 2HG ARG 70 -6.800 -12.136 11.656 582 HG3 ARG 70 1HG ARG 70 -5.347 -11.210 12.047 583 HD2 ARG 70 2HD ARG 70 -6.542 -10.157 13.942 584 HD3 ARG 70 1HD ARG 70 -7.995 -11.090 13.543 585 HE ARG 70 HE ARG 70 -6.182 -13.026 13.806 586 HH11 ARG 70 1HH1 ARG 70 -6.882 -10.343 15.974 587 HH12 ARG 70 2HH1 ARG 70 -6.396 -11.228 17.382 588 HH21 ARG 70 1HH2 ARG 70 -5.580 -14.139 15.638 589 HH22 ARG 70 2HH2 ARG 70 -5.678 -13.374 17.192 590 H GLY 71 H GLY 71 -4.704 -12.072 9.710 591 HA2 GLY 71 2HA GLY 71 -2.272 -10.726 10.137 592 HA3 GLY 71 1HA GLY 71 -2.445 -12.334 9.448 593 H THR 72 H THR 72 -3.801 -11.733 7.072 594 HA THR 72 HA THR 72 -1.739 -10.867 5.317 595 HB THR 72 HB THR 72 -4.730 -11.068 4.701 596 HG1 THR 72 HG1 THR 72 -2.745 -12.980 5.046 597 HG21 THR 72 3HG2 THR 72 -3.996 -11.420 2.358 598 HG22 THR 72 1HG2 THR 72 -2.314 -11.189 2.830 599 HG23 THR 72 2HG2 THR 72 -3.458 -9.846 2.945 600 H ILE 73 H ILE 73 -4.720 -9.373 6.481 601 HA ILE 73 HA ILE 73 -4.587 -6.921 5.093 602 HB ILE 73 HB ILE 73 -5.968 -7.536 7.751 603 HG12 ILE 73 2HG1 ILE 73 -7.115 -7.638 4.913 604 HG13 ILE 73 1HG1 ILE 73 -6.667 -9.048 5.867 605 HG21 ILE 73 1HG2 ILE 73 -6.503 -5.252 5.803 606 HG22 ILE 73 2HG2 ILE 73 -5.772 -5.103 7.400 607 HG23 ILE 73 3HG2 ILE 73 -7.452 -5.613 7.250 608 HD11 ILE 73 3HD1 ILE 73 -8.415 -8.477 7.507 609 HD12 ILE 73 1HD1 ILE 73 -9.063 -8.718 5.883 610 HD13 ILE 73 2HD1 ILE 73 -8.873 -7.086 6.519 611 H GLU 74 H GLU 74 -3.311 -7.995 8.203 612 HA GLU 74 HA GLU 74 -2.469 -5.590 9.342 613 HB2 GLU 74 2HB GLU 74 -2.542 -7.730 10.562 614 HB3 GLU 74 1HB GLU 74 -1.246 -8.367 9.558 615 HG2 GLU 74 2HG GLU 74 0.323 -6.724 10.522 616 HG3 GLU 74 1HG GLU 74 -0.981 -6.051 11.502 617 H LYS 75 H LYS 75 -0.647 -7.912 7.348 618 HA LYS 75 HA LYS 75 1.850 -6.599 7.399 619 HB2 LYS 75 2HB LYS 75 0.742 -8.514 5.300 620 HB3 LYS 75 1HB LYS 75 2.447 -8.101 5.503 621 HG2 LYS 75 2HG LYS 75 2.513 -9.203 7.660 622 HG3 LYS 75 1HG LYS 75 0.766 -9.471 7.627 623 HD2 LYS 75 2HD LYS 75 1.068 -10.928 5.609 624 HD3 LYS 75 1HD LYS 75 2.819 -10.713 5.747 625 HE2 LYS 75 2HE LYS 75 1.021 -11.979 7.851 626 HE3 LYS 75 1HE LYS 75 2.060 -12.857 6.725 627 HZ1 LYS 75 3HZ LYS 75 3.980 -11.778 7.720 628 HZ2 LYS 75 1HZ LYS 75 3.098 -12.638 8.874 629 HZ3 LYS 75 2HZ LYS 75 2.984 -10.954 8.812 630 H ILE 76 H ILE 76 -0.685 -6.701 4.919 631 HA ILE 76 HA ILE 76 0.787 -5.227 2.995 632 HB ILE 76 HB ILE 76 -1.232 -5.237 1.604 633 HG12 ILE 76 2HG1 ILE 76 -2.664 -6.221 4.120 634 HG13 ILE 76 1HG1 ILE 76 -3.036 -4.776 3.183 635 HG21 ILE 76 1HG2 ILE 76 -0.862 -7.894 3.046 636 HG22 ILE 76 2HG2 ILE 76 0.165 -7.278 1.753 637 HG23 ILE 76 3HG2 ILE 76 -1.519 -7.668 1.422 638 HD11 ILE 76 3HD1 ILE 76 -4.672 -6.508 2.812 639 HD12 ILE 76 1HD1 ILE 76 -3.430 -7.640 2.296 640 HD13 ILE 76 2HD1 ILE 76 -3.786 -6.208 1.320 641 H ILE 77 H ILE 77 -1.697 -4.217 5.362 642 HA ILE 77 HA ILE 77 -1.928 -1.531 4.477 643 HB ILE 77 HB ILE 77 -2.424 -2.758 7.221 644 HG12 ILE 77 2HG1 ILE 77 -4.021 -3.486 5.491 645 HG13 ILE 77 1HG1 ILE 77 -4.841 -2.436 6.643 646 HG21 ILE 77 1HG2 ILE 77 -3.583 -0.677 7.910 647 HG22 ILE 77 2HG2 ILE 77 -3.048 0.117 6.427 648 HG23 ILE 77 3HG2 ILE 77 -1.862 -0.400 7.627 649 HD11 ILE 77 3HD1 ILE 77 -4.677 -0.587 5.049 650 HD12 ILE 77 1HD1 ILE 77 -5.539 -1.967 4.373 651 HD13 ILE 77 2HD1 ILE 77 -3.869 -1.653 3.897 652 H LYS 78 H LYS 78 0.442 -3.128 6.618 653 HA LYS 78 HA LYS 78 1.725 -0.724 7.523 654 HB2 LYS 78 2HB LYS 78 2.960 -3.506 7.343 655 HB3 LYS 78 1HB LYS 78 3.615 -2.142 8.248 656 HG2 LYS 78 2HG LYS 78 1.106 -3.722 8.830 657 HG3 LYS 78 1HG LYS 78 2.579 -3.643 9.791 658 HD2 LYS 78 2HD LYS 78 2.082 -1.245 10.294 659 HD3 LYS 78 1HD LYS 78 0.591 -1.367 9.354 660 HE2 LYS 78 2HE LYS 78 1.256 -2.872 11.905 661 HE3 LYS 78 1HE LYS 78 0.045 -1.602 11.705 662 HZ1 LYS 78 3HZ LYS 78 -0.983 -3.775 11.719 663 HZ2 LYS 78 1HZ LYS 78 -0.008 -4.296 10.438 664 HZ3 LYS 78 2HZ LYS 78 -1.158 -3.081 10.189 665 H VAL 79 H VAL 79 2.185 -2.843 4.744 666 HA VAL 79 HA VAL 79 4.629 -1.730 3.787 667 HB VAL 79 HB VAL 79 2.484 -3.223 2.194 668 HG11 VAL 79 1HG1 VAL 79 5.442 -2.839 1.602 669 HG12 VAL 79 2HG1 VAL 79 4.103 -2.085 0.734 670 HG13 VAL 79 3HG1 VAL 79 4.329 -3.834 0.657 671 HG21 VAL 79 3HG2 VAL 79 3.808 -5.276 2.636 672 HG22 VAL 79 1HG2 VAL 79 3.210 -4.563 4.134 673 HG23 VAL 79 2HG2 VAL 79 4.898 -4.353 3.674 674 H ILE 80 H ILE 80 1.196 -1.123 3.058 675 HA ILE 80 HA ILE 80 1.491 0.928 1.129 676 HB ILE 80 HB ILE 80 -0.771 0.523 3.156 677 HG12 ILE 80 2HG1 ILE 80 -0.671 -0.336 0.222 678 HG13 ILE 80 1HG1 ILE 80 -0.376 -1.417 1.581 679 HG21 ILE 80 1HG2 ILE 80 -0.794 2.195 0.608 680 HG22 ILE 80 2HG2 ILE 80 -0.829 2.819 2.258 681 HG23 ILE 80 3HG2 ILE 80 -2.188 1.879 1.646 682 HD11 ILE 80 3HD1 ILE 80 -2.630 -1.673 0.730 683 HD12 ILE 80 1HD1 ILE 80 -2.963 0.037 0.997 684 HD13 ILE 80 2HD1 ILE 80 -2.673 -1.036 2.371 685 H ARG 81 H ARG 81 1.086 1.045 4.657 686 HA ARG 81 HA ARG 81 1.148 3.786 5.128 687 HB2 ARG 81 2HB ARG 81 2.085 1.463 6.854 688 HB3 ARG 81 1HB ARG 81 2.179 3.123 7.428 689 HG2 ARG 81 2HG ARG 81 -0.260 3.350 7.201 690 HG3 ARG 81 1HG ARG 81 -0.369 1.688 6.620 691 HD2 ARG 81 2HD ARG 81 -0.967 1.883 9.018 692 HD3 ARG 81 1HD ARG 81 0.449 0.850 8.773 693 HE ARG 81 HE ARG 81 1.533 3.302 9.230 694 HH11 ARG 81 1HH1 ARG 81 -0.789 1.436 11.075 695 HH12 ARG 81 2HH1 ARG 81 -0.218 2.032 12.599 696 HH21 ARG 81 1HH2 ARG 81 2.268 4.065 11.218 697 HH22 ARG 81 2HH2 ARG 81 1.492 3.545 12.683 698 H ASN 82 H ASN 82 3.843 1.493 4.943 699 HA ASN 82 HA ASN 82 5.883 3.311 5.721 700 HB2 ASN 82 2HB ASN 82 6.041 0.819 5.941 701 HB3 ASN 82 1HB ASN 82 6.166 0.689 4.190 702 HD21 ASN 82 1HD2 ASN 82 7.742 3.138 6.251 703 HD22 ASN 82 2HD2 ASN 82 9.352 2.621 5.909 704 H SER 83 H SER 83 4.539 2.325 2.636 705 HA SER 83 HA SER 83 6.397 3.644 0.923 706 HB2 SER 83 2HB SER 83 4.837 1.791 0.235 707 HB3 SER 83 1HB SER 83 3.485 2.911 0.393 708 HG SER 83 HG SER 83 5.655 3.043 -1.429 709 H LEU 84 H LEU 84 3.213 4.552 2.269 710 HA LEU 84 HA LEU 84 3.052 7.134 1.101 711 HB2 LEU 84 2HB LEU 84 1.623 5.999 3.529 712 HB3 LEU 84 1HB LEU 84 1.252 7.558 2.808 713 HG LEU 84 HG LEU 84 0.820 4.815 1.564 714 HD11 LEU 84 1HD1 LEU 84 -0.870 5.484 3.204 715 HD12 LEU 84 2HD1 LEU 84 -1.542 5.432 1.578 716 HD13 LEU 84 3HD1 LEU 84 -1.155 6.987 2.321 717 HD21 LEU 84 3HD2 LEU 84 -0.120 5.958 -0.407 718 HD22 LEU 84 1HD2 LEU 84 1.599 6.297 -0.213 719 HD23 LEU 84 2HD2 LEU 84 0.406 7.516 0.238 720 H GLU 85 H GLU 85 4.583 5.948 4.018 721 HA GLU 85 HA GLU 85 5.044 8.358 5.420 722 HB2 GLU 85 2HB GLU 85 6.566 5.728 5.309 723 HB3 GLU 85 1HB GLU 85 7.152 7.068 6.288 724 HG2 GLU 85 2HG GLU 85 4.431 5.771 6.591 725 HG3 GLU 85 1HG GLU 85 5.845 5.367 7.560 726 H HIS 86 H HIS 86 6.752 6.757 2.792 727 HA HIS 86 HA HIS 86 8.891 8.698 2.687 728 HB2 HIS 86 2HB HIS 86 9.297 6.306 2.122 729 HB3 HIS 86 1HB HIS 86 8.214 6.455 0.738 730 HD1 HIS 86 HD1 HIS 86 11.064 8.711 1.907 731 HD2 HIS 86 HD2 HIS 86 9.880 6.525 -1.427 732 HE1 HIS 86 HE1 HIS 86 12.695 9.301 0.105 733 HE2 HIS 86 HE2 HIS 86 11.910 8.044 -1.925 734 H ALA 87 H ALA 87 5.773 8.219 1.164 735 HA ALA 87 HA ALA 87 6.131 10.107 -0.951 736 HB1 ALA 87 3HB ALA 87 4.388 8.387 -1.033 737 HB2 ALA 87 1HB ALA 87 3.690 10.000 -1.195 738 HB3 ALA 87 2HB ALA 87 3.567 9.133 0.340 739 H ILE 88 H ILE 88 5.045 10.403 2.423 740 HA ILE 88 HA ILE 88 4.439 13.198 2.381 741 HB ILE 88 HB ILE 88 5.427 11.528 4.750 742 HG12 ILE 88 2HG1 ILE 88 2.554 12.216 3.952 743 HG13 ILE 88 1HG1 ILE 88 3.303 10.631 3.807 744 HG21 ILE 88 1HG2 ILE 88 5.711 13.943 5.172 745 HG22 ILE 88 2HG2 ILE 88 4.442 13.282 6.198 746 HG23 ILE 88 3HG2 ILE 88 4.015 14.231 4.772 747 HD11 ILE 88 3HD1 ILE 88 2.779 12.091 6.400 748 HD12 ILE 88 1HD1 ILE 88 3.497 10.485 6.238 749 HD13 ILE 88 2HD1 ILE 88 1.833 10.763 5.736 750 H ASP 89 H ASP 89 7.370 11.324 2.910 751 HA ASP 89 HA ASP 89 9.205 13.341 3.617 752 HB2 ASP 89 2HB ASP 89 9.733 10.957 3.843 753 HB3 ASP 89 1HB ASP 89 9.603 10.716 2.111 754 H LEU 90 H LEU 90 8.177 12.103 0.450 755 HA LEU 90 HA LEU 90 9.866 13.880 -1.091 756 HB2 LEU 90 2HB LEU 90 7.636 11.982 -1.902 757 HB3 LEU 90 1HB LEU 90 8.648 12.858 -3.040 758 HG LEU 90 HG LEU 90 9.680 10.792 -1.052 759 HD11 LEU 90 1HD1 LEU 90 8.267 9.736 -2.746 760 HD12 LEU 90 2HD1 LEU 90 9.960 9.295 -2.961 761 HD13 LEU 90 3HD1 LEU 90 9.217 10.491 -4.029 762 HD21 LEU 90 3HD2 LEU 90 11.400 12.445 -1.592 763 HD22 LEU 90 1HD2 LEU 90 11.116 12.214 -3.320 764 HD23 LEU 90 2HD2 LEU 90 11.785 10.901 -2.348 765 H GLU 91 H GLU 91 6.945 14.256 0.528 766 HA GLU 91 HA GLU 91 5.319 15.804 0.632 767 HB2 GLU 91 2HB GLU 91 7.135 17.466 -1.190 768 HB3 GLU 91 1HB GLU 91 5.784 18.096 -0.247 769 HG2 GLU 91 2HG GLU 91 6.937 17.492 1.842 770 HG3 GLU 91 1HG GLU 91 8.271 16.794 0.931 771 H LEU 92 H LEU 92 5.358 13.754 -1.513 772 HA LEU 92 HA LEU 92 3.738 14.764 -3.684 773 HB2 LEU 92 2HB LEU 92 4.438 11.968 -2.720 774 HB3 LEU 92 1HB LEU 92 3.393 12.255 -4.110 775 HG LEU 92 HG LEU 92 6.279 13.229 -3.925 776 HD11 LEU 92 1HD1 LEU 92 5.203 10.834 -5.453 777 HD12 LEU 92 2HD1 LEU 92 6.233 10.778 -4.021 778 HD13 LEU 92 3HD1 LEU 92 6.857 11.458 -5.522 779 HD21 LEU 92 3HD2 LEU 92 6.042 13.701 -6.341 780 HD22 LEU 92 1HD2 LEU 92 4.888 14.635 -5.388 781 HD23 LEU 92 2HD2 LEU 92 4.348 13.210 -6.279 782 H ILE 93 H ILE 93 3.237 13.312 -0.543 783 HA ILE 93 HA ILE 93 0.447 14.270 -0.610 784 HB ILE 93 HB ILE 93 -0.254 12.462 0.990 785 HG12 ILE 93 2HG1 ILE 93 2.362 11.083 0.240 786 HG13 ILE 93 1HG1 ILE 93 2.078 11.872 1.780 787 HG21 ILE 93 1HG2 ILE 93 -0.525 10.647 -0.666 788 HG22 ILE 93 2HG2 ILE 93 0.690 11.400 -1.701 789 HG23 ILE 93 3HG2 ILE 93 -0.835 12.230 -1.383 790 HD11 ILE 93 3HD1 ILE 93 1.841 9.483 1.961 791 HD12 ILE 93 1HD1 ILE 93 0.605 9.473 0.708 792 HD13 ILE 93 2HD1 ILE 93 0.286 10.260 2.258 793 H THR 94 H THR 94 -0.301 15.002 1.455 794 HA THR 94 HA THR 94 1.841 15.819 3.338 795 HB THR 94 HB THR 94 0.149 17.620 4.007 796 HG1 THR 94 HG1 THR 94 -1.277 17.732 1.790 797 HG21 THR 94 3HG2 THR 94 1.075 17.655 1.101 798 HG22 THR 94 1HG2 THR 94 2.033 18.166 2.495 799 HG23 THR 94 2HG2 THR 94 0.586 19.067 2.040 800 H LYS 95 H LYS 95 -0.202 13.332 3.122 801 HA LYS 95 HA LYS 95 -0.477 12.975 5.965 802 HB2 LYS 95 2HB LYS 95 -2.441 14.422 5.480 803 HB3 LYS 95 1HB LYS 95 -2.996 13.271 4.272 804 HG2 LYS 95 2HG LYS 95 -3.355 11.573 6.029 805 HG3 LYS 95 1HG LYS 95 -2.760 12.704 7.253 806 HD2 LYS 95 2HD LYS 95 -5.250 13.059 5.524 807 HD3 LYS 95 1HD LYS 95 -5.230 12.625 7.236 808 HE2 LYS 95 2HE LYS 95 -4.234 14.803 7.798 809 HE3 LYS 95 1HE LYS 95 -4.189 15.248 6.089 810 HZ1 LYS 95 3HZ LYS 95 -6.063 16.238 7.178 811 HZ2 LYS 95 1HZ LYS 95 -6.618 14.730 7.709 812 HZ3 LYS 95 2HZ LYS 95 -6.604 15.096 6.059 813 H ASN 96 H ASN 96 -0.164 10.883 6.350 814 HA ASN 96 HA ASN 96 -0.406 8.826 4.319 815 HB2 ASN 96 2HB ASN 96 1.432 8.881 6.071 816 HB3 ASN 96 1HB ASN 96 0.226 8.539 7.298 817 HD21 ASN 96 1HD2 ASN 96 2.549 7.037 6.601 818 HD22 ASN 96 2HD2 ASN 96 2.027 5.465 6.144 819 H VAL 97 H VAL 97 -2.554 8.631 3.833 820 HA VAL 97 HA VAL 97 -4.700 8.624 5.725 821 HB VAL 97 HB VAL 97 -6.127 7.984 3.753 822 HG11 VAL 97 1HG1 VAL 97 -5.807 10.093 2.489 823 HG12 VAL 97 2HG1 VAL 97 -4.219 10.304 3.228 824 HG13 VAL 97 3HG1 VAL 97 -5.670 10.373 4.229 825 HG21 VAL 97 3HG2 VAL 97 -5.134 7.860 1.486 826 HG22 VAL 97 1HG2 VAL 97 -4.486 6.581 2.516 827 HG23 VAL 97 2HG2 VAL 97 -3.515 8.012 2.173 828 H ALA 98 H ALA 98 -2.491 6.187 4.857 829 HA ALA 98 HA ALA 98 -4.260 3.903 5.355 830 HB1 ALA 98 3HB ALA 98 -2.269 2.524 4.908 831 HB2 ALA 98 1HB ALA 98 -1.265 3.978 4.827 832 HB3 ALA 98 2HB ALA 98 -2.519 3.700 3.616 833 H ALA 99 H ALA 99 -1.859 5.880 7.004 834 HA ALA 99 HA ALA 99 -1.518 4.202 9.315 835 HB1 ALA 99 3HB ALA 99 0.154 5.905 8.710 836 HB2 ALA 99 1HB ALA 99 -0.459 6.178 10.344 837 HB3 ALA 99 2HB ALA 99 -1.023 7.184 9.006 838 H LYS 100 H LYS 100 -3.840 6.607 8.303 839 HA LYS 100 HA LYS 100 -5.189 6.869 10.845 840 HB2 LYS 100 2HB LYS 100 -6.150 7.602 8.044 841 HB3 LYS 100 1HB LYS 100 -6.895 8.120 9.563 842 HG2 LYS 100 2HG LYS 100 -4.144 8.885 8.507 843 HG3 LYS 100 1HG LYS 100 -5.563 9.932 8.637 844 HD2 LYS 100 2HD LYS 100 -5.476 9.766 11.107 845 HD3 LYS 100 1HD LYS 100 -4.094 8.673 11.000 846 HE2 LYS 100 2HE LYS 100 -2.765 10.501 9.948 847 HE3 LYS 100 1HE LYS 100 -4.146 11.587 10.135 848 HZ1 LYS 100 3HZ LYS 100 -2.548 11.863 11.916 849 HZ2 LYS 100 1HZ LYS 100 -2.700 10.235 12.348 850 HZ3 LYS 100 2HZ LYS 100 -4.015 11.283 12.526 851 H THR 101 H THR 101 -5.081 4.447 8.494 852 HA THR 101 HA THR 101 -7.713 3.305 9.162 853 HB THR 101 HB THR 101 -5.678 2.389 7.068 854 HG1 THR 101 HG1 THR 101 -6.482 4.443 6.554 855 HG21 THR 101 3HG2 THR 101 -8.620 1.674 7.409 856 HG22 THR 101 1HG2 THR 101 -7.254 0.603 7.742 857 HG23 THR 101 2HG2 THR 101 -7.576 1.137 6.093 858 H LYS 102 H LYS 102 -7.653 2.023 10.936 859 HA LYS 102 HA LYS 102 -5.248 0.734 11.910 860 HB2 LYS 102 2HB LYS 102 -6.583 0.032 13.802 861 HB3 LYS 102 1HB LYS 102 -7.043 1.693 13.428 862 HG2 LYS 102 2HG LYS 102 -9.080 0.874 12.281 863 HG3 LYS 102 1HG LYS 102 -8.611 -0.794 12.634 864 HD2 LYS 102 2HD LYS 102 -8.740 -0.255 15.089 865 HD3 LYS 102 1HD LYS 102 -9.335 1.357 14.668 866 HE2 LYS 102 2HE LYS 102 -11.278 0.281 13.501 867 HE3 LYS 102 1HE LYS 102 -10.697 -1.295 14.047 868 HZ1 LYS 102 3HZ LYS 102 -10.957 -0.510 16.331 869 HZ2 LYS 102 1HZ LYS 102 -12.418 -0.493 15.480 870 HZ3 LYS 102 2HZ LYS 102 -11.586 0.952 15.764 871 H LEU 103 H LEU 103 -5.225 -1.621 12.436 872 HA LEU 103 HA LEU 103 -6.218 -3.382 10.389 873 HB2 LEU 103 2HB LEU 103 -4.123 -3.896 11.555 874 HB3 LEU 103 1HB LEU 103 -4.949 -3.933 13.102 875 HG LEU 103 HG LEU 103 -6.231 -5.949 12.366 876 HD11 LEU 103 1HD1 LEU 103 -5.561 -7.173 10.350 877 HD12 LEU 103 2HD1 LEU 103 -4.481 -5.856 9.895 878 HD13 LEU 103 3HD1 LEU 103 -6.224 -5.589 9.954 879 HD21 LEU 103 3HD2 LEU 103 -3.212 -6.263 12.213 880 HD22 LEU 103 1HD2 LEU 103 -4.373 -7.561 12.512 881 HD23 LEU 103 2HD2 LEU 103 -4.191 -6.258 13.684 882 HA PRO 104 HA PRO 104 -10.093 -4.211 12.748 883 HB2 PRO 104 2HB PRO 104 -11.571 -5.230 10.755 884 HB3 PRO 104 1HB PRO 104 -11.199 -3.496 10.782 885 HG2 PRO 104 2HG PRO 104 -9.887 -5.695 9.179 886 HG3 PRO 104 1HG PRO 104 -10.394 -4.079 8.649 887 HD2 PRO 104 2HD PRO 104 -7.790 -4.734 9.391 888 HD3 PRO 104 1HD PRO 104 -8.449 -3.082 9.428 889 H LYS 105 H LYS 105 -11.011 -6.165 13.505 890 HA LYS 105 HA LYS 105 -9.487 -8.634 13.216 891 HB2 LYS 105 2HB LYS 105 -12.012 -8.015 14.812 892 HB3 LYS 105 1HB LYS 105 -11.111 -9.523 14.890 893 HG2 LYS 105 2HG LYS 105 -9.205 -8.376 15.892 894 HG3 LYS 105 1HG LYS 105 -10.028 -6.817 15.731 895 HD2 LYS 105 2HD LYS 105 -11.824 -7.609 17.257 896 HD3 LYS 105 1HD LYS 105 -11.008 -9.171 17.413 897 HE2 LYS 105 2HE LYS 105 -10.583 -7.728 19.360 898 HE3 LYS 105 1HE LYS 105 -9.092 -8.060 18.485 899 HZ1 LYS 105 3HZ LYS 105 -9.327 -5.729 19.172 900 HZ2 LYS 105 1HZ LYS 105 -10.693 -5.579 18.187 901 HZ3 LYS 105 2HZ LYS 105 -9.177 -5.891 17.496 902 H ALA 106 H ALA 106 -9.856 -9.628 11.299 903 HA ALA 106 HA ALA 106 -12.508 -9.835 10.076 904 HB1 ALA 106 3HB ALA 106 -11.341 -11.055 8.280 905 HB2 ALA 106 1HB ALA 106 -9.850 -11.069 9.230 906 HB3 ALA 106 2HB ALA 106 -10.514 -9.542 8.642 907 H ASP 107 H ASP 107 -13.062 -10.846 12.340 908 HA ASP 107 HA ASP 107 -12.442 -13.751 12.513 909 HB2 ASP 107 2HB ASP 107 -12.255 -13.477 14.944 910 HB3 ASP 107 1HB ASP 107 -11.175 -12.326 14.166 911 H LYS 108 H LYS 108 -13.974 -14.521 14.535 912 HA LYS 108 HA LYS 108 -16.687 -13.400 14.389 913 HB2 LYS 108 2HB LYS 108 -17.685 -15.650 14.270 914 HB3 LYS 108 1HB LYS 108 -16.719 -15.320 12.842 915 HG2 LYS 108 2HG LYS 108 -14.945 -16.769 13.589 916 HG3 LYS 108 1HG LYS 108 -15.683 -16.956 15.183 917 HD2 LYS 108 2HD LYS 108 -16.854 -17.963 12.550 918 HD3 LYS 108 1HD LYS 108 -16.032 -18.962 13.754 919 HE2 LYS 108 2HE LYS 108 -17.795 -18.423 15.402 920 HE3 LYS 108 1HE LYS 108 -18.617 -17.417 14.207 921 HZ1 LYS 108 3HZ LYS 108 -19.598 -19.602 14.385 922 HZ2 LYS 108 1HZ LYS 108 -18.130 -20.332 13.969 923 HZ3 LYS 108 2HZ LYS 108 -18.942 -19.366 12.843 924 H GLU 109 H GLU 109 -14.419 -13.293 16.268 925 HA GLU 109 HA GLU 109 -15.062 -14.982 18.552 926 HB2 GLU 109 2HB GLU 109 -12.998 -12.757 18.289 927 HB3 GLU 109 1HB GLU 109 -13.072 -13.967 19.571 928 HG2 GLU 109 2HG GLU 109 -12.485 -14.476 16.632 929 HG3 GLU 109 1HG GLU 109 -11.313 -14.497 17.949 930 H GLU 110 H GLU 110 -16.922 -12.777 17.588 931 HA GLU 110 HA GLU 110 -17.179 -10.878 19.738 932 HB2 GLU 110 2HB GLU 110 -19.306 -10.274 18.537 933 HB3 GLU 110 1HB GLU 110 -17.878 -10.254 17.505 934 HG2 GLU 110 2HG GLU 110 -18.563 -12.614 16.746 935 HG3 GLU 110 1HG GLU 110 -20.097 -12.330 17.566 936 H LEU 111 H LEU 111 -17.197 -13.695 20.553 937 HA LEU 111 HA LEU 111 -19.836 -14.224 21.655 938 HB2 LEU 111 2HB LEU 111 -17.221 -15.743 22.058 939 HB3 LEU 111 1HB LEU 111 -18.824 -16.293 22.527 940 HG LEU 111 HG LEU 111 -17.794 -15.960 19.676 941 HD11 LEU 111 1HD1 LEU 111 -16.880 -17.924 20.803 942 HD12 LEU 111 2HD1 LEU 111 -17.997 -18.389 19.524 943 HD13 LEU 111 3HD1 LEU 111 -18.509 -18.474 21.214 944 HD21 LEU 111 3HD2 LEU 111 -19.926 -16.925 18.924 945 HD22 LEU 111 1HD2 LEU 111 -20.179 -15.390 19.749 946 HD23 LEU 111 2HD2 LEU 111 -20.539 -16.906 20.580 947 H GLU 112 H GLU 112 -19.411 -11.964 22.555 948 HA GLU 112 HA GLU 112 -18.555 -12.136 25.348 949 HB2 GLU 112 2HB GLU 112 -16.662 -11.169 23.781 950 HB3 GLU 112 1HB GLU 112 -17.664 -9.731 23.699 951 HG2 GLU 112 2HG GLU 112 -16.638 -10.921 26.296 952 HG3 GLU 112 1HG GLU 112 -15.770 -9.691 25.389 953 H HIS 113 H HIS 113 -19.931 -10.980 26.651 954 HA HIS 113 HA HIS 113 -22.548 -10.749 25.630 955 HB2 HIS 113 2HB HIS 113 -21.880 -11.562 27.929 956 HB3 HIS 113 1HB HIS 113 -21.569 -9.891 28.385 957 HD1 HIS 113 HD1 HIS 113 -23.601 -8.460 28.996 958 HD2 HIS 113 HD2 HIS 113 -24.643 -12.199 27.512 959 HE1 HIS 113 HE1 HIS 113 -26.058 -8.700 29.436 960 HE2 HIS 113 HE2 HIS 113 -26.692 -10.880 28.363 961 H HIS 114 H HIS 114 -20.116 -8.284 26.300 962 HA HIS 114 HA HIS 114 -21.966 -6.044 25.865 963 HB2 HIS 114 2HB HIS 114 -18.925 -6.076 26.123 964 HB3 HIS 114 1HB HIS 114 -19.920 -4.629 26.034 965 HD1 HIS 114 HD1 HIS 114 -18.266 -6.695 28.412 966 HD2 HIS 114 HD2 HIS 114 -21.838 -4.571 28.352 967 HE1 HIS 114 HE1 HIS 114 -18.865 -6.312 30.829 968 HE2 HIS 114 HE2 HIS 114 -21.109 -5.174 30.755 969 H HIS 115 H HIS 115 -22.400 -7.483 23.785 970 HA HIS 115 HA HIS 115 -20.622 -7.264 21.564 971 HB2 HIS 115 2HB HIS 115 -22.264 -9.099 21.755 972 HB3 HIS 115 1HB HIS 115 -23.591 -7.950 21.701 973 HD1 HIS 115 HD1 HIS 115 -24.022 -6.767 19.373 974 HD2 HIS 115 HD2 HIS 115 -21.338 -9.932 19.291 975 HE1 HIS 115 HE1 HIS 115 -23.800 -7.390 16.957 976 HE2 HIS 115 HE2 HIS 115 -22.016 -9.157 16.925 977 H HIS 116 H HIS 116 -20.086 -5.131 21.239 978 HA HIS 116 HA HIS 116 -21.944 -2.954 21.167 979 HB2 HIS 116 2HB HIS 116 -19.582 -2.613 21.808 980 HB3 HIS 116 1HB HIS 116 -19.046 -3.128 20.211 981 HD1 HIS 116 HD1 HIS 116 -21.069 -0.321 21.811 982 HD2 HIS 116 HD2 HIS 116 -18.780 -1.060 18.428 983 HE1 HIS 116 HE1 HIS 116 -20.869 1.885 20.644 984 HE2 HIS 116 HE2 HIS 116 -19.673 1.358 18.497 985 H HIS 117 H HIS 117 -23.506 -3.385 19.709 986 HA HIS 117 HA HIS 117 -22.919 -3.949 16.890 987 HB2 HIS 117 2HB HIS 117 -25.410 -4.155 16.673 988 HB3 HIS 117 1HB HIS 117 -24.737 -5.238 17.878 989 HD1 HIS 117 HD1 HIS 117 -27.086 -2.363 17.496 990 HD2 HIS 117 HD2 HIS 117 -25.457 -4.639 20.568 991 HE1 HIS 117 HE1 HIS 117 -28.416 -1.785 19.544 992 HE2 HIS 117 HE2 HIS 117 -27.511 -3.287 21.347 993 H HIS 118 H HIS 118 -24.302 -1.405 18.944 994 HA HIS 118 HA HIS 118 -23.751 0.712 17.109 995 HB2 HIS 118 2HB HIS 118 -26.654 -0.128 17.503 996 HB3 HIS 118 1HB HIS 118 -26.249 1.547 17.175 997 HD1 HIS 118 HD1 HIS 118 -24.904 1.932 14.827 998 HD2 HIS 118 HD2 HIS 118 -26.973 -1.644 15.241 999 HE1 HIS 118 HE1 HIS 118 -25.136 1.023 12.500 1000 HE2 HIS 118 HE2 HIS 118 -26.286 -1.206 12.789 Start of MODEL 9 1 H1 MET 1 1H MET 1 8.086 17.805 -4.250 2 H2 MET 1 2H MET 1 9.250 17.681 -3.029 3 H3 MET 1 3H MET 1 8.274 16.353 -3.411 4 HA MET 1 HA MET 1 10.250 17.593 -5.217 5 HB2 MET 1 2HB MET 1 10.366 14.922 -3.729 6 HB3 MET 1 1HB MET 1 11.573 15.521 -4.869 7 HG2 MET 1 2HG MET 1 10.880 16.722 -2.180 8 HG3 MET 1 1HG MET 1 12.357 15.851 -2.612 9 HE1 MET 1 3HE MET 1 12.253 18.800 -1.248 10 HE2 MET 1 1HE MET 1 13.539 19.598 -2.150 11 HE3 MET 1 2HE MET 1 13.752 17.938 -1.598 12 H GLU 2 H GLU 2 9.378 17.469 -7.196 13 HA GLU 2 HA GLU 2 8.373 16.815 -9.096 14 HB2 GLU 2 2HB GLU 2 8.572 13.961 -8.044 15 HB3 GLU 2 1HB GLU 2 8.214 14.426 -9.704 16 HG2 GLU 2 2HG GLU 2 10.815 14.852 -8.210 17 HG3 GLU 2 1HG GLU 2 10.515 13.719 -9.527 18 HA PRO 3 HA PRO 3 4.080 17.184 -8.112 19 HB2 PRO 3 2HB PRO 3 2.850 16.417 -10.481 20 HB3 PRO 3 1HB PRO 3 3.633 17.981 -10.229 21 HG2 PRO 3 2HG PRO 3 4.743 15.492 -11.526 22 HG3 PRO 3 1HG PRO 3 4.832 17.177 -12.090 23 HD2 PRO 3 2HD PRO 3 6.930 16.046 -10.851 24 HD3 PRO 3 1HD PRO 3 6.509 17.745 -10.528 25 H SER 4 H SER 4 2.202 16.057 -7.541 26 HA SER 4 HA SER 4 2.552 13.272 -6.844 27 HB2 SER 4 2HB SER 4 0.348 13.673 -5.649 28 HB3 SER 4 1HB SER 4 1.636 14.791 -5.205 29 HG SER 4 HG SER 4 -0.378 15.831 -5.600 30 H LYS 5 H LYS 5 2.013 14.189 -9.705 31 HA LYS 5 HA LYS 5 -0.480 13.003 -10.540 32 HB2 LYS 5 2HB LYS 5 1.908 13.958 -12.201 33 HB3 LYS 5 1HB LYS 5 0.284 13.630 -12.806 34 HG2 LYS 5 2HG LYS 5 0.980 15.789 -10.792 35 HG3 LYS 5 1HG LYS 5 0.794 16.062 -12.524 36 HD2 LYS 5 2HD LYS 5 -1.406 14.979 -10.717 37 HD3 LYS 5 1HD LYS 5 -1.218 16.684 -11.131 38 HE2 LYS 5 2HE LYS 5 -1.703 14.439 -13.127 39 HE3 LYS 5 1HE LYS 5 -2.930 15.561 -12.529 40 HZ1 LYS 5 3HZ LYS 5 -0.502 16.318 -14.075 41 HZ2 LYS 5 1HZ LYS 5 -1.663 17.391 -13.482 42 HZ3 LYS 5 2HZ LYS 5 -2.080 16.272 -14.677 43 H LEU 6 H LEU 6 2.499 11.752 -9.626 44 HA LEU 6 HA LEU 6 2.683 9.443 -11.305 45 HB2 LEU 6 2HB LEU 6 4.573 10.321 -9.916 46 HB3 LEU 6 1HB LEU 6 3.689 9.912 -8.457 47 HG LEU 6 HG LEU 6 3.822 7.485 -9.096 48 HD11 LEU 6 1HD1 LEU 6 5.387 6.747 -10.836 49 HD12 LEU 6 2HD1 LEU 6 5.644 8.422 -11.333 50 HD13 LEU 6 3HD1 LEU 6 4.053 7.678 -11.520 51 HD21 LEU 6 3HD2 LEU 6 6.186 7.181 -8.497 52 HD22 LEU 6 1HD2 LEU 6 5.432 8.432 -7.510 53 HD23 LEU 6 2HD2 LEU 6 6.502 8.883 -8.840 54 H SER 7 H SER 7 1.367 7.683 -11.266 55 HA SER 7 HA SER 7 -0.751 7.315 -9.384 56 HB2 SER 7 2HB SER 7 -1.122 5.135 -10.578 57 HB3 SER 7 1HB SER 7 -1.020 6.509 -11.684 58 HG SER 7 HG SER 7 1.343 5.838 -11.744 59 H TYR 8 H TYR 8 -0.968 5.671 -7.806 60 HA TYR 8 HA TYR 8 1.273 5.377 -6.137 61 HB2 TYR 8 2HB TYR 8 -1.113 5.423 -5.370 62 HB3 TYR 8 1HB TYR 8 -1.336 3.802 -6.023 63 HD1 TYR 8 HD1 TYR 8 1.521 5.232 -4.031 64 HD2 TYR 8 HD2 TYR 8 -1.697 2.423 -4.095 65 HE1 TYR 8 HE1 TYR 8 2.249 4.339 -1.864 66 HE2 TYR 8 HE2 TYR 8 -0.959 1.539 -1.924 67 HH TYR 8 HH TYR 8 1.249 3.122 0.055 68 H GLY 9 H GLY 9 -0.133 3.209 -8.534 69 HA2 GLY 9 2HA GLY 9 1.178 0.801 -7.821 70 HA3 GLY 9 1HA GLY 9 0.543 1.200 -9.414 71 H GLU 10 H GLU 10 2.069 3.365 -10.136 72 HA GLU 10 HA GLU 10 4.512 2.155 -10.999 73 HB2 GLU 10 2HB GLU 10 3.547 5.033 -11.206 74 HB3 GLU 10 1HB GLU 10 4.982 4.404 -12.016 75 HG2 GLU 10 2HG GLU 10 2.148 3.404 -12.480 76 HG3 GLU 10 1HG GLU 10 2.970 4.597 -13.487 77 H TYR 11 H TYR 11 3.610 4.358 -8.424 78 HA TYR 11 HA TYR 11 6.191 5.141 -7.565 79 HB2 TYR 11 2HB TYR 11 4.274 6.389 -6.754 80 HB3 TYR 11 1HB TYR 11 3.543 4.942 -6.063 81 HD1 TYR 11 HD1 TYR 11 6.755 6.894 -5.812 82 HD2 TYR 11 HD2 TYR 11 3.755 4.663 -3.743 83 HE1 TYR 11 HE1 TYR 11 7.898 7.323 -3.684 84 HE2 TYR 11 HE2 TYR 11 4.895 5.098 -1.615 85 HH TYR 11 HH TYR 11 7.016 5.698 -0.772 86 H LEU 12 H LEU 12 4.091 2.397 -6.718 87 HA LEU 12 HA LEU 12 5.621 1.314 -4.603 88 HB2 LEU 12 2HB LEU 12 3.552 0.097 -6.451 89 HB3 LEU 12 1HB LEU 12 4.275 -0.819 -5.133 90 HG LEU 12 HG LEU 12 2.748 1.785 -4.724 91 HD11 LEU 12 1HD1 LEU 12 1.713 -1.045 -4.433 92 HD12 LEU 12 2HD1 LEU 12 1.236 0.130 -5.659 93 HD13 LEU 12 3HD1 LEU 12 0.862 0.431 -3.964 94 HD21 LEU 12 3HD2 LEU 12 4.337 1.281 -2.930 95 HD22 LEU 12 1HD2 LEU 12 3.644 -0.333 -2.738 96 HD23 LEU 12 2HD2 LEU 12 2.682 1.099 -2.362 97 H GLU 13 H GLU 13 5.864 0.932 -8.080 98 HA GLU 13 HA GLU 13 7.593 -1.314 -8.182 99 HB2 GLU 13 2HB GLU 13 7.357 1.042 -10.106 100 HB3 GLU 13 1HB GLU 13 8.188 -0.472 -10.459 101 HG2 GLU 13 2HG GLU 13 5.223 -0.145 -9.913 102 HG3 GLU 13 1HG GLU 13 5.962 -0.393 -11.487 103 H SER 14 H SER 14 8.300 2.184 -8.254 104 HA SER 14 HA SER 14 11.137 1.990 -8.213 105 HB2 SER 14 2HB SER 14 9.982 4.035 -8.973 106 HB3 SER 14 1HB SER 14 9.302 4.276 -7.365 107 HG SER 14 HG SER 14 11.079 5.213 -6.799 108 H TRP 15 H TRP 15 8.753 2.540 -5.655 109 HA TRP 15 HA TRP 15 10.399 2.937 -3.440 110 HB2 TRP 15 2HB TRP 15 8.003 3.455 -3.381 111 HB3 TRP 15 1HB TRP 15 7.589 1.761 -3.622 112 HD1 TRP 15 HD1 TRP 15 8.950 4.150 -0.899 113 HE1 TRP 15 HE1 TRP 15 8.557 3.061 1.397 114 HE3 TRP 15 HE3 TRP 15 7.293 -0.449 -2.430 115 HZ2 TRP 15 HZ2 TRP 15 7.685 0.595 2.435 116 HZ3 TRP 15 HZ3 TRP 15 6.716 -2.125 -0.719 117 HH2 TRP 15 HH2 TRP 15 6.911 -1.611 1.668 118 H PHE 16 H PHE 16 8.931 -0.030 -4.737 119 HA PHE 16 HA PHE 16 9.765 -1.945 -2.928 120 HB2 PHE 16 2HB PHE 16 8.201 -2.519 -4.682 121 HB3 PHE 16 1HB PHE 16 9.360 -2.123 -5.943 122 HD1 PHE 16 HD2 PHE 16 8.952 -4.445 -3.029 123 HD2 PHE 16 HD1 PHE 16 10.557 -3.900 -6.943 124 HE1 PHE 16 HE2 PHE 16 9.691 -6.761 -3.065 125 HE2 PHE 16 HE1 PHE 16 11.299 -6.246 -6.961 126 HZ PHE 16 HZ PHE 16 10.860 -7.683 -5.005 127 H ASN 17 H ASN 17 11.509 -0.860 -5.869 128 HA ASN 17 HA ASN 17 13.657 -2.658 -5.765 129 HB2 ASN 17 2HB ASN 17 13.413 0.089 -7.034 130 HB3 ASN 17 1HB ASN 17 14.922 -0.804 -7.123 131 HD21 ASN 17 1HD2 ASN 17 11.788 -0.434 -8.431 132 HD22 ASN 17 2HD2 ASN 17 11.885 -1.701 -9.596 133 H THR 18 H THR 18 13.454 0.621 -4.403 134 HA THR 18 HA THR 18 16.137 0.527 -3.316 135 HB THR 18 HB THR 18 15.144 2.654 -4.142 136 HG1 THR 18 HG1 THR 18 16.366 3.655 -2.744 137 HG21 THR 18 3HG2 THR 18 13.315 2.495 -1.723 138 HG22 THR 18 1HG2 THR 18 12.807 2.325 -3.408 139 HG23 THR 18 2HG2 THR 18 13.459 3.860 -2.831 140 H LYS 19 H LYS 19 13.026 -0.538 -2.252 141 HA LYS 19 HA LYS 19 13.503 -0.337 0.598 142 HB2 LYS 19 2HB LYS 19 11.218 -0.082 -0.315 143 HB3 LYS 19 1HB LYS 19 11.276 -1.716 -0.953 144 HG2 LYS 19 2HG LYS 19 9.922 -1.561 1.106 145 HG3 LYS 19 1HG LYS 19 11.293 -2.655 1.293 146 HD2 LYS 19 2HD LYS 19 11.029 -1.285 3.303 147 HD3 LYS 19 1HD LYS 19 12.547 -0.891 2.502 148 HE2 LYS 19 2HE LYS 19 11.490 1.131 1.533 149 HE3 LYS 19 1HE LYS 19 9.980 0.729 2.350 150 HZ1 LYS 19 3HZ LYS 19 12.559 1.355 3.662 151 HZ2 LYS 19 1HZ LYS 19 11.136 0.919 4.468 152 HZ3 LYS 19 2HZ LYS 19 11.201 2.359 3.583 153 H ARG 20 H ARG 20 13.799 -2.814 -1.905 154 HA ARG 20 HA ARG 20 14.028 -5.178 -0.510 155 HB2 ARG 20 2HB ARG 20 15.755 -4.270 -2.840 156 HB3 ARG 20 1HB ARG 20 15.616 -5.938 -2.299 157 HG2 ARG 20 2HG ARG 20 13.253 -5.979 -2.927 158 HG3 ARG 20 1HG ARG 20 13.323 -4.276 -3.379 159 HD2 ARG 20 2HD ARG 20 14.868 -6.530 -4.705 160 HD3 ARG 20 1HD ARG 20 13.436 -5.730 -5.360 161 HE ARG 20 HE ARG 20 15.130 -3.673 -4.965 162 HH11 ARG 20 1HH1 ARG 20 15.618 -6.710 -6.642 163 HH12 ARG 20 2HH1 ARG 20 16.715 -6.021 -7.792 164 HH21 ARG 20 1HH2 ARG 20 16.541 -2.783 -6.473 165 HH22 ARG 20 2HH2 ARG 20 17.239 -3.798 -7.692 166 H HIS 21 H HIS 21 16.395 -2.609 -0.773 167 HA HIS 21 HA HIS 21 18.705 -3.863 0.234 168 HB2 HIS 21 2HB HIS 21 17.886 -0.927 0.279 169 HB3 HIS 21 1HB HIS 21 19.503 -1.506 0.661 170 HD1 HIS 21 HD1 HIS 21 21.062 -1.945 -1.274 171 HD2 HIS 21 HD2 HIS 21 17.148 -1.248 -2.502 172 HE1 HIS 21 HE1 HIS 21 21.167 -1.720 -3.775 173 HE2 HIS 21 HE2 HIS 21 18.762 -1.532 -4.500 174 H SER 22 H SER 22 15.921 -2.549 1.889 175 HA SER 22 HA SER 22 17.247 -2.454 4.515 176 HB2 SER 22 2HB SER 22 15.899 -0.497 3.844 177 HB3 SER 22 1HB SER 22 14.475 -1.516 3.631 178 HG SER 22 HG SER 22 15.800 -0.771 6.019 179 H VAL 23 H VAL 23 14.368 -3.909 2.948 180 HA VAL 23 HA VAL 23 13.615 -5.384 5.332 181 HB VAL 23 HB VAL 23 11.737 -6.291 3.982 182 HG11 VAL 23 1HG1 VAL 23 10.532 -4.163 3.636 183 HG12 VAL 23 2HG1 VAL 23 12.054 -3.277 3.725 184 HG13 VAL 23 3HG1 VAL 23 11.460 -4.141 5.143 185 HG21 VAL 23 3HG2 VAL 23 11.341 -5.496 1.654 186 HG22 VAL 23 1HG2 VAL 23 12.808 -6.474 1.776 187 HG23 VAL 23 2HG2 VAL 23 12.926 -4.718 1.653 188 H GLY 24 H GLY 24 15.362 -6.106 2.395 189 HA2 GLY 24 2HA GLY 24 16.821 -8.025 2.239 190 HA3 GLY 24 1HA GLY 24 15.657 -8.962 3.174 191 H ILE 25 H ILE 25 16.727 -9.648 0.607 192 HA ILE 25 HA ILE 25 15.130 -8.921 -1.597 193 HB ILE 25 HB ILE 25 16.861 -11.404 -1.206 194 HG12 ILE 25 2HG1 ILE 25 18.145 -9.305 -0.928 195 HG13 ILE 25 1HG1 ILE 25 18.629 -10.126 -2.407 196 HG21 ILE 25 1HG2 ILE 25 15.780 -10.251 -3.806 197 HG22 ILE 25 2HG2 ILE 25 15.327 -11.790 -3.073 198 HG23 ILE 25 3HG2 ILE 25 16.963 -11.556 -3.687 199 HD11 ILE 25 3HD1 ILE 25 18.469 -7.724 -2.703 200 HD12 ILE 25 1HD1 ILE 25 16.772 -7.755 -2.234 201 HD13 ILE 25 2HD1 ILE 25 17.298 -8.559 -3.717 202 H GLN 26 H GLN 26 14.977 -11.813 0.496 203 HA GLN 26 HA GLN 26 12.829 -13.075 -0.911 204 HB2 GLN 26 2HB GLN 26 12.695 -14.621 1.019 205 HB3 GLN 26 1HB GLN 26 14.338 -14.440 0.421 206 HG2 GLN 26 2HG GLN 26 14.881 -12.966 2.316 207 HG3 GLN 26 1HG GLN 26 13.220 -13.079 2.893 208 HE21 GLN 26 1HE2 GLN 26 14.996 -15.833 1.569 209 HE22 GLN 26 2HE2 GLN 26 15.125 -16.691 3.054 210 H THR 27 H THR 27 12.997 -11.140 2.040 211 HA THR 27 HA THR 27 10.329 -11.126 2.849 212 HB THR 27 HB THR 27 12.334 -8.825 3.085 213 HG1 THR 27 HG1 THR 27 13.197 -9.905 4.757 214 HG21 THR 27 3HG2 THR 27 9.956 -9.524 4.870 215 HG22 THR 27 1HG2 THR 27 10.036 -8.157 3.754 216 HG23 THR 27 2HG2 THR 27 11.113 -8.218 5.149 217 H ALA 28 H ALA 28 12.047 -9.116 0.530 218 HA ALA 28 HA ALA 28 10.042 -7.172 0.012 219 HB1 ALA 28 3HB ALA 28 12.435 -6.801 -0.452 220 HB2 ALA 28 1HB ALA 28 11.453 -6.536 -1.891 221 HB3 ALA 28 2HB ALA 28 12.384 -8.026 -1.719 222 H LYS 29 H LYS 29 10.980 -10.192 -1.599 223 HA LYS 29 HA LYS 29 9.363 -10.167 -3.868 224 HB2 LYS 29 2HB LYS 29 11.204 -11.832 -3.260 225 HB3 LYS 29 1HB LYS 29 10.062 -12.628 -2.193 226 HG2 LYS 29 2HG LYS 29 9.597 -12.348 -5.183 227 HG3 LYS 29 1HG LYS 29 10.489 -13.697 -4.492 228 HD2 LYS 29 2HD LYS 29 7.582 -13.004 -3.917 229 HD3 LYS 29 1HD LYS 29 8.140 -14.292 -4.980 230 HE2 LYS 29 2HE LYS 29 8.751 -14.166 -2.002 231 HE3 LYS 29 1HE LYS 29 7.399 -15.060 -2.696 232 HZ1 LYS 29 3HZ LYS 29 8.990 -16.368 -3.982 233 HZ2 LYS 29 1HZ LYS 29 9.265 -16.522 -2.319 234 HZ3 LYS 29 2HZ LYS 29 10.277 -15.543 -3.261 235 H VAL 30 H VAL 30 8.639 -11.070 -0.556 236 HA VAL 30 HA VAL 30 5.993 -12.094 -0.979 237 HB VAL 30 HB VAL 30 7.335 -11.153 1.597 238 HG11 VAL 30 1HG1 VAL 30 5.678 -12.597 2.774 239 HG12 VAL 30 2HG1 VAL 30 4.883 -12.921 1.234 240 HG13 VAL 30 3HG1 VAL 30 4.898 -11.284 1.886 241 HG21 VAL 30 3HG2 VAL 30 7.899 -13.529 1.993 242 HG22 VAL 30 1HG2 VAL 30 8.624 -12.941 0.497 243 HG23 VAL 30 2HG2 VAL 30 7.190 -13.965 0.434 244 H LEU 31 H LEU 31 7.364 -8.985 0.106 245 HA LEU 31 HA LEU 31 4.981 -7.645 0.826 246 HB2 LEU 31 2HB LEU 31 7.514 -6.355 -0.279 247 HB3 LEU 31 1HB LEU 31 6.235 -5.529 0.600 248 HG LEU 31 HG LEU 31 8.229 -7.524 1.699 249 HD11 LEU 31 1HD1 LEU 31 9.103 -5.274 1.421 250 HD12 LEU 31 2HD1 LEU 31 8.958 -5.682 3.128 251 HD13 LEU 31 3HD1 LEU 31 7.772 -4.610 2.376 252 HD21 LEU 31 3HD2 LEU 31 7.165 -7.276 3.908 253 HD22 LEU 31 1HD2 LEU 31 6.079 -8.027 2.744 254 HD23 LEU 31 2HD2 LEU 31 5.858 -6.332 3.187 255 H LYS 32 H LYS 32 6.728 -7.790 -2.284 256 HA LYS 32 HA LYS 32 4.846 -6.053 -3.609 257 HB2 LYS 32 2HB LYS 32 7.253 -6.177 -4.322 258 HB3 LYS 32 1HB LYS 32 6.961 -7.811 -4.920 259 HG2 LYS 32 2HG LYS 32 5.262 -6.911 -6.506 260 HG3 LYS 32 1HG LYS 32 5.578 -5.283 -5.897 261 HD2 LYS 32 2HD LYS 32 7.902 -5.423 -6.736 262 HD3 LYS 32 1HD LYS 32 7.586 -7.054 -7.344 263 HE2 LYS 32 2HE LYS 32 5.844 -6.150 -8.851 264 HE3 LYS 32 1HE LYS 32 6.159 -4.519 -8.249 265 HZ1 LYS 32 3HZ LYS 32 8.405 -4.703 -9.109 266 HZ2 LYS 32 1HZ LYS 32 7.255 -4.897 -10.331 267 HZ3 LYS 32 2HZ LYS 32 8.077 -6.247 -9.715 268 H GLY 33 H GLY 33 5.306 -9.518 -3.220 269 HA2 GLY 33 2HA GLY 33 3.459 -10.564 -5.036 270 HA3 GLY 33 1HA GLY 33 3.792 -11.244 -3.446 271 H TYR 34 H TYR 34 2.968 -8.935 -1.984 272 HA TYR 34 HA TYR 34 0.105 -9.200 -1.888 273 HB2 TYR 34 2HB TYR 34 2.078 -7.443 -0.393 274 HB3 TYR 34 1HB TYR 34 0.355 -7.468 -0.065 275 HD1 TYR 34 HD2 TYR 34 -0.237 -10.391 -0.226 276 HD2 TYR 34 HD1 TYR 34 3.039 -8.332 1.600 277 HE1 TYR 34 HE2 TYR 34 0.062 -12.255 1.342 278 HE2 TYR 34 HE1 TYR 34 3.326 -10.203 3.174 279 HH TYR 34 HH TYR 34 1.839 -13.219 2.744 280 H LEU 35 H LEU 35 2.431 -6.746 -3.016 281 HA LEU 35 HA LEU 35 0.635 -4.588 -3.337 282 HB2 LEU 35 2HB LEU 35 3.303 -5.162 -4.678 283 HB3 LEU 35 1HB LEU 35 2.412 -3.674 -4.949 284 HG LEU 35 HG LEU 35 3.506 -4.605 -2.265 285 HD11 LEU 35 1HD1 LEU 35 4.483 -2.375 -4.080 286 HD12 LEU 35 2HD1 LEU 35 5.309 -3.902 -3.751 287 HD13 LEU 35 3HD1 LEU 35 5.088 -2.730 -2.455 288 HD21 LEU 35 3HD2 LEU 35 2.822 -2.366 -1.446 289 HD22 LEU 35 1HD2 LEU 35 1.454 -3.364 -1.931 290 HD23 LEU 35 2HD2 LEU 35 2.016 -2.064 -2.981 291 H ASN 36 H ASN 36 2.009 -6.706 -5.915 292 HA ASN 36 HA ASN 36 0.370 -5.580 -7.942 293 HB2 ASN 36 2HB ASN 36 1.275 -7.249 -9.460 294 HB3 ASN 36 1HB ASN 36 2.564 -6.623 -8.453 295 HD21 ASN 36 1HD2 ASN 36 3.682 -8.030 -7.111 296 HD22 ASN 36 2HD2 ASN 36 3.426 -9.736 -7.106 297 H SER 37 H SER 37 -0.238 -8.101 -5.643 298 HA SER 37 HA SER 37 -2.422 -9.346 -7.083 299 HB2 SER 37 2HB SER 37 -1.118 -10.641 -5.437 300 HB3 SER 37 1HB SER 37 -1.592 -9.533 -4.151 301 HG SER 37 HG SER 37 -3.215 -11.372 -5.584 302 H ARG 38 H ARG 38 -2.165 -7.129 -4.266 303 HA ARG 38 HA ARG 38 -5.099 -6.884 -4.172 304 HB2 ARG 38 2HB ARG 38 -3.026 -6.140 -2.081 305 HB3 ARG 38 1HB ARG 38 -4.765 -5.976 -1.885 306 HG2 ARG 38 2HG ARG 38 -3.225 -8.579 -2.182 307 HG3 ARG 38 1HG ARG 38 -3.939 -7.942 -0.698 308 HD2 ARG 38 2HD ARG 38 -5.516 -9.543 -1.383 309 HD3 ARG 38 1HD ARG 38 -6.203 -8.053 -2.022 310 HE ARG 38 HE ARG 38 -4.532 -9.746 -3.759 311 HH11 ARG 38 1HH1 ARG 38 -7.678 -8.324 -3.144 312 HH12 ARG 38 2HH1 ARG 38 -8.352 -8.921 -4.625 313 HH21 ARG 38 1HH2 ARG 38 -5.422 -10.471 -5.689 314 HH22 ARG 38 2HH2 ARG 38 -7.078 -10.118 -6.062 315 H ILE 39 H ILE 39 -2.194 -4.749 -3.946 316 HA ILE 39 HA ILE 39 -3.874 -2.427 -3.654 317 HB ILE 39 HB ILE 39 -0.832 -2.583 -3.889 318 HG12 ILE 39 2HG1 ILE 39 -0.957 -1.917 -1.380 319 HG13 ILE 39 1HG1 ILE 39 -2.652 -2.365 -1.444 320 HG21 ILE 39 1HG2 ILE 39 -2.587 -0.211 -3.163 321 HG22 ILE 39 2HG2 ILE 39 -1.609 -0.386 -4.623 322 HG23 ILE 39 3HG2 ILE 39 -0.825 -0.246 -3.051 323 HD11 ILE 39 3HD1 ILE 39 -0.275 -4.165 -1.832 324 HD12 ILE 39 1HD1 ILE 39 -1.953 -4.670 -2.029 325 HD13 ILE 39 2HD1 ILE 39 -1.376 -4.117 -0.457 326 H ILE 40 H ILE 40 -1.647 -3.593 -6.246 327 HA ILE 40 HA ILE 40 -1.826 -1.363 -7.932 328 HB ILE 40 HB ILE 40 -0.938 -4.193 -8.363 329 HG12 ILE 40 2HG1 ILE 40 1.138 -3.057 -9.250 330 HG13 ILE 40 1HG1 ILE 40 0.366 -1.500 -9.006 331 HG21 ILE 40 1HG2 ILE 40 -2.272 -3.943 -10.383 332 HG22 ILE 40 2HG2 ILE 40 -0.559 -3.900 -10.798 333 HG23 ILE 40 3HG2 ILE 40 -1.490 -2.402 -10.752 334 HD11 ILE 40 3HD1 ILE 40 1.950 -1.951 -7.269 335 HD12 ILE 40 1HD1 ILE 40 1.146 -3.470 -6.871 336 HD13 ILE 40 2HD1 ILE 40 0.323 -1.935 -6.588 337 HA PRO 41 HA PRO 41 -5.761 -3.443 -10.144 338 HB2 PRO 41 2HB PRO 41 -6.774 -5.122 -7.863 339 HB3 PRO 41 1HB PRO 41 -6.831 -5.437 -9.603 340 HG2 PRO 41 2HG PRO 41 -5.095 -6.745 -8.093 341 HG3 PRO 41 1HG PRO 41 -4.578 -6.122 -9.681 342 HD2 PRO 41 2HD PRO 41 -4.100 -4.940 -6.928 343 HD3 PRO 41 1HD PRO 41 -2.946 -5.163 -8.263 344 H SER 42 H SER 42 -5.525 -2.331 -6.809 345 HA SER 42 HA SER 42 -8.276 -1.215 -6.876 346 HB2 SER 42 2HB SER 42 -6.435 -1.606 -4.477 347 HB3 SER 42 1HB SER 42 -8.126 -1.104 -4.432 348 HG SER 42 HG SER 42 -7.030 -3.615 -5.073 349 H LEU 43 H LEU 43 -5.218 -0.181 -5.319 350 HA LEU 43 HA LEU 43 -5.893 2.646 -5.624 351 HB2 LEU 43 2HB LEU 43 -3.617 1.270 -4.149 352 HB3 LEU 43 1HB LEU 43 -4.000 2.985 -4.043 353 HG LEU 43 HG LEU 43 -5.885 0.768 -3.131 354 HD11 LEU 43 1HD1 LEU 43 -3.999 2.413 -1.408 355 HD12 LEU 43 2HD1 LEU 43 -3.853 0.693 -1.776 356 HD13 LEU 43 3HD1 LEU 43 -5.219 1.273 -0.829 357 HD21 LEU 43 3HD2 LEU 43 -7.094 2.564 -1.968 358 HD22 LEU 43 1HD2 LEU 43 -7.022 2.872 -3.702 359 HD23 LEU 43 2HD2 LEU 43 -5.965 3.764 -2.604 360 H GLY 44 H GLY 44 -4.016 0.325 -7.271 361 HA2 GLY 44 2HA GLY 44 -1.561 1.658 -7.730 362 HA3 GLY 44 1HA GLY 44 -2.193 0.306 -8.650 363 H ASN 45 H ASN 45 -4.466 1.387 -9.779 364 HA ASN 45 HA ASN 45 -3.344 3.010 -11.912 365 HB2 ASN 45 2HB ASN 45 -6.125 1.830 -11.520 366 HB3 ASN 45 1HB ASN 45 -5.634 2.735 -12.948 367 HD21 ASN 45 1HD2 ASN 45 -5.076 -0.226 -11.103 368 HD22 ASN 45 2HD2 ASN 45 -4.384 -1.123 -12.402 369 H ILE 46 H ILE 46 -4.520 3.856 -8.950 370 HA ILE 46 HA ILE 46 -5.846 6.359 -9.767 371 HB ILE 46 HB ILE 46 -5.313 5.296 -6.941 372 HG12 ILE 46 2HG1 ILE 46 -7.887 5.035 -8.570 373 HG13 ILE 46 1HG1 ILE 46 -6.774 3.718 -8.210 374 HG21 ILE 46 1HG2 ILE 46 -7.039 6.898 -6.206 375 HG22 ILE 46 2HG2 ILE 46 -7.230 7.478 -7.860 376 HG23 ILE 46 3HG2 ILE 46 -5.706 7.734 -7.008 377 HD11 ILE 46 3HD1 ILE 46 -8.711 3.632 -6.767 378 HD12 ILE 46 1HD1 ILE 46 -8.400 5.270 -6.189 379 HD13 ILE 46 2HD1 ILE 46 -7.267 3.967 -5.815 380 H LYS 47 H LYS 47 -4.915 8.398 -9.322 381 HA LYS 47 HA LYS 47 -2.113 8.711 -9.118 382 HB2 LYS 47 2HB LYS 47 -4.216 10.777 -8.327 383 HB3 LYS 47 1HB LYS 47 -2.530 11.106 -8.704 384 HG2 LYS 47 2HG LYS 47 -4.557 10.040 -10.694 385 HG3 LYS 47 1HG LYS 47 -4.167 11.742 -10.492 386 HD2 LYS 47 2HD LYS 47 -2.880 11.148 -12.349 387 HD3 LYS 47 1HD LYS 47 -1.707 11.001 -11.042 388 HE2 LYS 47 2HE LYS 47 -2.000 8.556 -11.042 389 HE3 LYS 47 1HE LYS 47 -3.260 8.688 -12.276 390 HZ1 LYS 47 3HZ LYS 47 -1.159 8.066 -13.246 391 HZ2 LYS 47 1HZ LYS 47 -0.405 9.437 -12.602 392 HZ3 LYS 47 2HZ LYS 47 -1.605 9.602 -13.777 393 H LEU 48 H LEU 48 -0.774 9.082 -7.397 394 HA LEU 48 HA LEU 48 -1.349 7.969 -4.883 395 HB2 LEU 48 2HB LEU 48 0.889 8.042 -5.845 396 HB3 LEU 48 1HB LEU 48 0.891 9.793 -5.819 397 HG LEU 48 HG LEU 48 1.137 9.851 -3.411 398 HD11 LEU 48 1HD1 LEU 48 -0.319 8.038 -2.745 399 HD12 LEU 48 2HD1 LEU 48 1.277 7.792 -2.043 400 HD13 LEU 48 3HD1 LEU 48 0.776 6.846 -3.446 401 HD21 LEU 48 3HD2 LEU 48 3.303 8.717 -3.135 402 HD22 LEU 48 1HD2 LEU 48 3.200 9.494 -4.712 403 HD23 LEU 48 2HD2 LEU 48 3.000 7.746 -4.575 404 H ALA 49 H ALA 49 -1.468 11.315 -6.014 405 HA ALA 49 HA ALA 49 -1.881 12.726 -3.631 406 HB1 ALA 49 3HB ALA 49 -3.130 13.265 -6.353 407 HB2 ALA 49 1HB ALA 49 -1.525 13.785 -5.838 408 HB3 ALA 49 2HB ALA 49 -2.955 14.437 -5.042 409 H LYS 50 H LYS 50 -4.123 10.827 -5.576 410 HA LYS 50 HA LYS 50 -6.523 11.899 -4.329 411 HB2 LYS 50 2HB LYS 50 -6.269 9.674 -6.392 412 HB3 LYS 50 1HB LYS 50 -7.755 10.509 -5.934 413 HG2 LYS 50 2HG LYS 50 -5.357 11.753 -7.319 414 HG3 LYS 50 1HG LYS 50 -6.877 11.295 -8.090 415 HD2 LYS 50 2HD LYS 50 -8.065 12.991 -6.699 416 HD3 LYS 50 1HD LYS 50 -6.524 13.453 -5.964 417 HE2 LYS 50 2HE LYS 50 -5.689 14.156 -8.189 418 HE3 LYS 50 1HE LYS 50 -7.229 13.684 -8.913 419 HZ1 LYS 50 3HZ LYS 50 -7.144 16.034 -8.547 420 HZ2 LYS 50 1HZ LYS 50 -6.828 15.829 -6.899 421 HZ3 LYS 50 2HZ LYS 50 -8.322 15.360 -7.539 422 H LEU 51 H LEU 51 -4.368 9.412 -3.501 423 HA LEU 51 HA LEU 51 -6.158 7.539 -2.316 424 HB2 LEU 51 2HB LEU 51 -3.221 8.119 -1.999 425 HB3 LEU 51 1HB LEU 51 -4.001 7.259 -0.685 426 HG LEU 51 HG LEU 51 -4.751 5.512 -2.332 427 HD11 LEU 51 1HD1 LEU 51 -4.685 6.801 -4.396 428 HD12 LEU 51 2HD1 LEU 51 -3.680 5.360 -4.524 429 HD13 LEU 51 3HD1 LEU 51 -2.926 6.938 -4.283 430 HD21 LEU 51 3HD2 LEU 51 -2.790 5.190 -0.879 431 HD22 LEU 51 1HD2 LEU 51 -1.746 5.902 -2.114 432 HD23 LEU 51 2HD2 LEU 51 -2.586 4.382 -2.428 433 H THR 52 H THR 52 -7.735 8.464 -1.158 434 HA THR 52 HA THR 52 -7.077 10.136 1.192 435 HB THR 52 HB THR 52 -8.566 11.199 -0.503 436 HG1 THR 52 HG1 THR 52 -9.154 12.096 1.327 437 HG21 THR 52 3HG2 THR 52 -10.544 8.988 0.159 438 HG22 THR 52 1HG2 THR 52 -9.695 9.183 -1.379 439 HG23 THR 52 2HG2 THR 52 -10.863 10.398 -0.854 440 H SER 53 H SER 53 -9.026 9.810 2.881 441 HA SER 53 HA SER 53 -8.582 7.277 4.076 442 HB2 SER 53 2HB SER 53 -8.946 9.341 5.401 443 HB3 SER 53 1HB SER 53 -10.606 9.430 4.824 444 HG SER 53 HG SER 53 -9.549 7.955 6.845 445 H LEU 54 H LEU 54 -11.175 8.486 2.000 446 HA LEU 54 HA LEU 54 -13.117 6.455 2.494 447 HB2 LEU 54 2HB LEU 54 -13.637 8.592 1.279 448 HB3 LEU 54 1HB LEU 54 -12.657 8.043 -0.072 449 HG LEU 54 HG LEU 54 -14.247 6.119 -0.405 450 HD11 LEU 54 1HD1 LEU 54 -16.443 6.132 0.678 451 HD12 LEU 54 2HD1 LEU 54 -15.942 7.477 1.706 452 HD13 LEU 54 3HD1 LEU 54 -15.140 5.910 1.844 453 HD21 LEU 54 3HD2 LEU 54 -14.483 8.127 -1.778 454 HD22 LEU 54 1HD2 LEU 54 -15.533 8.866 -0.563 455 HD23 LEU 54 2HD2 LEU 54 -16.060 7.425 -1.435 456 H HIS 55 H HIS 55 -10.365 6.709 0.277 457 HA HIS 55 HA HIS 55 -10.760 4.293 -1.185 458 HB2 HIS 55 2HB HIS 55 -8.248 5.949 -0.691 459 HB3 HIS 55 1HB HIS 55 -8.255 4.515 -1.711 460 HD1 HIS 55 HD1 HIS 55 -7.492 6.135 -3.627 461 HD2 HIS 55 HD2 HIS 55 -11.330 6.807 -2.193 462 HE1 HIS 55 HE1 HIS 55 -8.597 7.603 -5.327 463 HE2 HIS 55 HE2 HIS 55 -10.852 8.143 -4.345 464 H MET 56 H MET 56 -9.103 5.073 1.804 465 HA MET 56 HA MET 56 -7.793 2.584 2.260 466 HB2 MET 56 2HB MET 56 -8.646 4.769 4.198 467 HB3 MET 56 1HB MET 56 -7.571 3.437 4.601 468 HG2 MET 56 2HG MET 56 -6.961 5.510 2.493 469 HG3 MET 56 1HG MET 56 -6.442 5.615 4.168 470 HE1 MET 56 3HE MET 56 -4.502 3.098 0.873 471 HE2 MET 56 1HE MET 56 -5.365 4.626 0.694 472 HE3 MET 56 2HE MET 56 -6.262 3.138 1.004 473 H GLN 57 H GLN 57 -10.834 3.975 3.464 474 HA GLN 57 HA GLN 57 -11.675 1.922 5.189 475 HB2 GLN 57 2HB GLN 57 -12.677 4.137 5.297 476 HB3 GLN 57 1HB GLN 57 -13.246 4.023 3.641 477 HG2 GLN 57 2HG GLN 57 -15.086 3.771 5.213 478 HG3 GLN 57 1HG GLN 57 -14.855 2.284 4.297 479 HE21 GLN 57 1HE2 GLN 57 -14.177 0.408 5.390 480 HE22 GLN 57 2HE2 GLN 57 -14.135 0.300 7.114 481 H ASN 58 H ASN 58 -12.580 2.600 1.819 482 HA ASN 58 HA ASN 58 -14.252 0.311 1.465 483 HB2 ASN 58 2HB ASN 58 -13.003 2.207 -0.571 484 HB3 ASN 58 1HB ASN 58 -14.165 0.946 -0.989 485 HD21 ASN 58 1HD2 ASN 58 -14.461 3.789 -1.349 486 HD22 ASN 58 2HD2 ASN 58 -15.840 4.271 -0.436 487 H TYR 59 H TYR 59 -10.819 0.860 1.116 488 HA TYR 59 HA TYR 59 -10.182 -1.409 -0.481 489 HB2 TYR 59 2HB TYR 59 -8.594 0.477 -0.125 490 HB3 TYR 59 1HB TYR 59 -8.435 0.032 1.570 491 HD1 TYR 59 HD2 TYR 59 -7.916 -1.332 -1.898 492 HD2 TYR 59 HD1 TYR 59 -6.732 -1.490 2.208 493 HE1 TYR 59 HE2 TYR 59 -6.087 -2.863 -2.481 494 HE2 TYR 59 HE1 TYR 59 -4.908 -3.023 1.619 495 HH TYR 59 HH TYR 59 -4.379 -4.622 -0.154 496 H VAL 60 H VAL 60 -10.276 -0.886 3.071 497 HA VAL 60 HA VAL 60 -9.492 -3.524 3.814 498 HB VAL 60 HB VAL 60 -11.039 -1.461 5.445 499 HG11 VAL 60 1HG1 VAL 60 -11.331 -3.715 6.437 500 HG12 VAL 60 2HG1 VAL 60 -10.283 -2.727 7.456 501 HG13 VAL 60 3HG1 VAL 60 -9.583 -3.964 6.409 502 HG21 VAL 60 3HG2 VAL 60 -8.844 -0.927 6.457 503 HG22 VAL 60 1HG2 VAL 60 -8.826 -0.653 4.710 504 HG23 VAL 60 2HG2 VAL 60 -8.060 -2.092 5.386 505 H ASN 61 H ASN 61 -12.626 -2.058 3.134 506 HA ASN 61 HA ASN 61 -14.320 -4.199 3.901 507 HB2 ASN 61 2HB ASN 61 -14.748 -2.101 1.729 508 HB3 ASN 61 1HB ASN 61 -16.007 -3.143 2.386 509 HD21 ASN 61 1HD2 ASN 61 -15.857 -0.239 2.342 510 HD22 ASN 61 2HD2 ASN 61 -15.960 0.275 3.987 511 H SER 62 H SER 62 -12.586 -3.449 0.900 512 HA SER 62 HA SER 62 -13.515 -5.579 -0.704 513 HB2 SER 62 2HB SER 62 -12.370 -3.685 -1.738 514 HB3 SER 62 1HB SER 62 -10.903 -4.007 -0.816 515 HG SER 62 HG SER 62 -11.928 -6.029 -2.469 516 H LEU 63 H LEU 63 -10.794 -5.335 1.590 517 HA LEU 63 HA LEU 63 -9.483 -7.784 0.998 518 HB2 LEU 63 2HB LEU 63 -9.507 -6.307 3.658 519 HB3 LEU 63 1HB LEU 63 -8.290 -7.459 3.118 520 HG LEU 63 HG LEU 63 -8.814 -4.736 1.891 521 HD11 LEU 63 1HD1 LEU 63 -6.674 -4.056 2.819 522 HD12 LEU 63 2HD1 LEU 63 -6.493 -5.629 3.597 523 HD13 LEU 63 3HD1 LEU 63 -7.796 -4.544 4.086 524 HD21 LEU 63 3HD2 LEU 63 -6.807 -5.127 0.534 525 HD22 LEU 63 1HD2 LEU 63 -8.067 -6.309 0.186 526 HD23 LEU 63 2HD2 LEU 63 -6.681 -6.764 1.179 527 H ARG 64 H ARG 64 -11.998 -6.930 3.294 528 HA ARG 64 HA ARG 64 -12.272 -9.444 4.606 529 HB2 ARG 64 2HB ARG 64 -13.065 -7.323 5.591 530 HB3 ARG 64 1HB ARG 64 -14.230 -7.129 4.288 531 HG2 ARG 64 2HG ARG 64 -15.478 -9.090 5.069 532 HG3 ARG 64 1HG ARG 64 -14.292 -9.368 6.345 533 HD2 ARG 64 2HD ARG 64 -16.342 -8.244 7.175 534 HD3 ARG 64 1HD ARG 64 -14.901 -7.249 7.414 535 HE ARG 64 HE ARG 64 -16.804 -6.840 5.166 536 HH11 ARG 64 1HH1 ARG 64 -14.805 -5.468 7.704 537 HH12 ARG 64 2HH1 ARG 64 -15.195 -3.831 7.292 538 HH21 ARG 64 1HH2 ARG 64 -17.297 -4.681 4.622 539 HH22 ARG 64 2HH2 ARG 64 -16.595 -3.385 5.540 540 H ASP 65 H ASP 65 -13.718 -7.975 1.727 541 HA ASP 65 HA ASP 65 -15.601 -10.081 1.177 542 HB2 ASP 65 2HB ASP 65 -15.950 -7.724 0.420 543 HB3 ASP 65 1HB ASP 65 -14.575 -7.876 -0.669 544 H GLU 66 H GLU 66 -12.233 -9.512 0.382 545 HA GLU 66 HA GLU 66 -11.960 -11.582 -1.601 546 HB2 GLU 66 2HB GLU 66 -9.858 -10.342 0.247 547 HB3 GLU 66 1HB GLU 66 -9.502 -11.437 -1.085 548 HG2 GLU 66 2HG GLU 66 -10.596 -8.624 -1.260 549 HG3 GLU 66 1HG GLU 66 -9.018 -9.200 -1.787 550 H GLY 67 H GLY 67 -12.241 -11.496 1.830 551 HA2 GLY 67 2HA GLY 67 -12.416 -13.176 3.388 552 HA3 GLY 67 1HA GLY 67 -12.188 -14.362 2.111 553 H LEU 68 H LEU 68 -9.903 -11.765 2.571 554 HA LEU 68 HA LEU 68 -7.668 -13.474 2.938 555 HB2 LEU 68 2HB LEU 68 -7.896 -10.500 3.560 556 HB3 LEU 68 1HB LEU 68 -6.392 -11.402 3.459 557 HG LEU 68 HG LEU 68 -8.281 -10.835 1.135 558 HD11 LEU 68 1HD1 LEU 68 -7.103 -8.830 1.929 559 HD12 LEU 68 2HD1 LEU 68 -6.546 -9.313 0.330 560 HD13 LEU 68 3HD1 LEU 68 -5.550 -9.655 1.750 561 HD21 LEU 68 3HD2 LEU 68 -5.560 -12.196 1.106 562 HD22 LEU 68 1HD2 LEU 68 -6.527 -11.771 -0.312 563 HD23 LEU 68 2HD2 LEU 68 -7.117 -12.979 0.823 564 H LYS 69 H LYS 69 -6.499 -13.979 4.769 565 HA LYS 69 HA LYS 69 -7.800 -13.897 7.340 566 HB2 LYS 69 2HB LYS 69 -5.765 -15.058 8.179 567 HB3 LYS 69 1HB LYS 69 -6.439 -15.848 6.763 568 HG2 LYS 69 2HG LYS 69 -4.684 -14.729 5.363 569 HG3 LYS 69 1HG LYS 69 -3.977 -14.078 6.841 570 HD2 LYS 69 2HD LYS 69 -2.764 -16.080 6.084 571 HD3 LYS 69 1HD LYS 69 -3.524 -16.366 7.653 572 HE2 LYS 69 2HE LYS 69 -5.323 -17.642 6.583 573 HE3 LYS 69 1HE LYS 69 -4.687 -17.254 4.986 574 HZ1 LYS 69 3HZ LYS 69 -2.724 -18.533 5.460 575 HZ2 LYS 69 1HZ LYS 69 -4.105 -19.487 5.700 576 HZ3 LYS 69 2HZ LYS 69 -3.267 -18.858 7.029 577 H ARG 70 H ARG 70 -7.084 -12.768 9.170 578 HA ARG 70 HA ARG 70 -6.568 -10.066 8.854 579 HB2 ARG 70 2HB ARG 70 -6.188 -10.036 11.359 580 HB3 ARG 70 1HB ARG 70 -7.650 -10.873 10.839 581 HG2 ARG 70 2HG ARG 70 -6.462 -13.052 11.073 582 HG3 ARG 70 1HG ARG 70 -5.048 -12.198 11.700 583 HD2 ARG 70 2HD ARG 70 -6.294 -11.468 13.643 584 HD3 ARG 70 1HD ARG 70 -7.803 -12.091 12.969 585 HE ARG 70 HE ARG 70 -5.537 -13.769 13.908 586 HH11 ARG 70 1HH1 ARG 70 -8.985 -13.366 13.336 587 HH12 ARG 70 2HH1 ARG 70 -9.379 -14.925 13.974 588 HH21 ARG 70 1HH2 ARG 70 -6.084 -15.838 14.678 589 HH22 ARG 70 2HH2 ARG 70 -7.747 -16.313 14.737 590 H GLY 71 H GLY 71 -4.206 -12.642 9.402 591 HA2 GLY 71 2HA GLY 71 -1.907 -11.100 9.885 592 HA3 GLY 71 1HA GLY 71 -1.933 -12.708 9.168 593 H THR 72 H THR 72 -3.133 -12.404 6.794 594 HA THR 72 HA THR 72 -1.244 -11.287 5.047 595 HB THR 72 HB THR 72 -4.178 -11.982 4.532 596 HG1 THR 72 HG1 THR 72 -1.807 -13.423 3.867 597 HG21 THR 72 3HG2 THR 72 -1.995 -11.448 2.467 598 HG22 THR 72 1HG2 THR 72 -3.429 -10.453 2.743 599 HG23 THR 72 2HG2 THR 72 -3.603 -12.094 2.121 600 H ILE 73 H ILE 73 -4.380 -10.014 6.174 601 HA ILE 73 HA ILE 73 -4.400 -7.596 4.707 602 HB ILE 73 HB ILE 73 -5.775 -8.234 7.359 603 HG12 ILE 73 2HG1 ILE 73 -6.855 -8.437 4.510 604 HG13 ILE 73 1HG1 ILE 73 -6.401 -9.797 5.528 605 HG21 ILE 73 1HG2 ILE 73 -7.354 -6.401 6.824 606 HG22 ILE 73 2HG2 ILE 73 -6.388 -5.984 5.411 607 HG23 ILE 73 3HG2 ILE 73 -5.703 -5.806 7.022 608 HD11 ILE 73 3HD1 ILE 73 -8.203 -9.205 7.098 609 HD12 ILE 73 1HD1 ILE 73 -8.796 -9.543 5.474 610 HD13 ILE 73 2HD1 ILE 73 -8.672 -7.876 6.034 611 H GLU 74 H GLU 74 -3.090 -8.460 7.861 612 HA GLU 74 HA GLU 74 -2.490 -5.869 8.825 613 HB2 GLU 74 2HB GLU 74 -2.606 -7.949 10.224 614 HB3 GLU 74 1HB GLU 74 -1.105 -8.509 9.485 615 HG2 GLU 74 2HG GLU 74 0.025 -6.473 10.416 616 HG3 GLU 74 1HG GLU 74 -1.478 -6.064 11.240 617 H LYS 75 H LYS 75 -0.610 -8.262 6.997 618 HA LYS 75 HA LYS 75 1.897 -6.926 7.032 619 HB2 LYS 75 2HB LYS 75 0.801 -9.014 5.102 620 HB3 LYS 75 1HB LYS 75 2.483 -8.488 5.136 621 HG2 LYS 75 2HG LYS 75 2.762 -9.394 7.387 622 HG3 LYS 75 1HG LYS 75 1.050 -9.824 7.458 623 HD2 LYS 75 2HD LYS 75 1.415 -11.359 5.498 624 HD3 LYS 75 1HD LYS 75 3.141 -10.997 5.580 625 HE2 LYS 75 2HE LYS 75 1.495 -12.333 7.764 626 HE3 LYS 75 1HE LYS 75 2.622 -13.139 6.675 627 HZ1 LYS 75 3HZ LYS 75 3.306 -11.107 8.734 628 HZ2 LYS 75 1HZ LYS 75 4.408 -11.754 7.624 629 HZ3 LYS 75 2HZ LYS 75 3.678 -12.757 8.772 630 H ILE 76 H ILE 76 -0.830 -6.877 4.739 631 HA ILE 76 HA ILE 76 0.609 -5.357 2.759 632 HB ILE 76 HB ILE 76 -1.416 -5.212 1.460 633 HG12 ILE 76 2HG1 ILE 76 -2.940 -6.183 3.918 634 HG13 ILE 76 1HG1 ILE 76 -3.074 -4.597 3.169 635 HG21 ILE 76 1HG2 ILE 76 -0.266 -7.433 1.604 636 HG22 ILE 76 2HG2 ILE 76 -1.958 -7.541 1.138 637 HG23 ILE 76 3HG2 ILE 76 -1.463 -7.945 2.783 638 HD11 ILE 76 3HD1 ILE 76 -4.968 -5.976 2.614 639 HD12 ILE 76 1HD1 ILE 76 -3.920 -7.224 1.950 640 HD13 ILE 76 2HD1 ILE 76 -4.032 -5.648 1.160 641 H ILE 77 H ILE 77 -1.602 -4.566 5.421 642 HA ILE 77 HA ILE 77 -1.897 -1.793 4.979 643 HB ILE 77 HB ILE 77 -1.898 -3.424 7.561 644 HG12 ILE 77 2HG1 ILE 77 -3.839 -3.780 6.075 645 HG13 ILE 77 1HG1 ILE 77 -4.352 -2.981 7.554 646 HG21 ILE 77 1HG2 ILE 77 -2.804 -1.437 8.772 647 HG22 ILE 77 2HG2 ILE 77 -2.432 -0.433 7.367 648 HG23 ILE 77 3HG2 ILE 77 -1.129 -1.227 8.258 649 HD11 ILE 77 3HD1 ILE 77 -5.485 -2.076 5.618 650 HD12 ILE 77 1HD1 ILE 77 -3.944 -1.664 4.868 651 HD13 ILE 77 2HD1 ILE 77 -4.454 -0.848 6.349 652 H LYS 78 H LYS 78 0.686 -3.655 6.615 653 HA LYS 78 HA LYS 78 2.287 -1.535 7.539 654 HB2 LYS 78 2HB LYS 78 3.201 -4.263 6.530 655 HB3 LYS 78 1HB LYS 78 4.234 -3.130 7.397 656 HG2 LYS 78 2HG LYS 78 1.782 -4.548 8.474 657 HG3 LYS 78 1HG LYS 78 3.461 -4.868 8.901 658 HD2 LYS 78 2HD LYS 78 3.566 -2.481 9.805 659 HD3 LYS 78 1HD LYS 78 1.820 -2.387 9.549 660 HE2 LYS 78 2HE LYS 78 3.328 -4.207 11.449 661 HE3 LYS 78 1HE LYS 78 2.170 -2.938 11.852 662 HZ1 LYS 78 3HZ LYS 78 0.434 -4.250 10.820 663 HZ2 LYS 78 1HZ LYS 78 1.195 -5.130 12.044 664 HZ3 LYS 78 2HZ LYS 78 1.542 -5.460 10.424 665 H VAL 79 H VAL 79 2.334 -3.253 4.420 666 HA VAL 79 HA VAL 79 4.598 -1.967 3.312 667 HB VAL 79 HB VAL 79 2.307 -3.274 1.761 668 HG11 VAL 79 1HG1 VAL 79 5.210 -2.776 0.981 669 HG12 VAL 79 2HG1 VAL 79 3.795 -1.949 0.331 670 HG13 VAL 79 3HG1 VAL 79 4.027 -3.665 0.013 671 HG21 VAL 79 3HG2 VAL 79 3.634 -5.368 1.822 672 HG22 VAL 79 1HG2 VAL 79 3.201 -4.837 3.448 673 HG23 VAL 79 2HG2 VAL 79 4.836 -4.578 2.849 674 H ILE 80 H ILE 80 1.094 -1.277 3.025 675 HA ILE 80 HA ILE 80 1.275 0.853 1.162 676 HB ILE 80 HB ILE 80 -0.903 0.341 3.240 677 HG12 ILE 80 2HG1 ILE 80 -0.859 -0.387 0.273 678 HG13 ILE 80 1HG1 ILE 80 -0.529 -1.521 1.578 679 HG21 ILE 80 1HG2 ILE 80 -1.028 2.122 0.765 680 HG22 ILE 80 2HG2 ILE 80 -1.010 2.684 2.439 681 HG23 ILE 80 3HG2 ILE 80 -2.381 1.754 1.835 682 HD11 ILE 80 3HD1 ILE 80 -2.804 -1.202 2.424 683 HD12 ILE 80 1HD1 ILE 80 -2.783 -1.776 0.759 684 HD13 ILE 80 2HD1 ILE 80 -3.137 -0.082 1.098 685 H ARG 81 H ARG 81 0.954 0.921 4.738 686 HA ARG 81 HA ARG 81 1.044 3.667 5.208 687 HB2 ARG 81 2HB ARG 81 2.324 1.508 6.927 688 HB3 ARG 81 1HB ARG 81 2.045 3.166 7.445 689 HG2 ARG 81 2HG ARG 81 -0.389 2.801 7.293 690 HG3 ARG 81 1HG ARG 81 -0.106 1.140 6.760 691 HD2 ARG 81 2HD ARG 81 0.422 2.371 9.476 692 HD3 ARG 81 1HD ARG 81 -0.508 0.919 9.079 693 HE ARG 81 HE ARG 81 1.882 0.128 8.283 694 HH11 ARG 81 1HH1 ARG 81 0.990 1.626 11.324 695 HH12 ARG 81 2HH1 ARG 81 2.476 1.203 12.110 696 HH21 ARG 81 1HH2 ARG 81 3.871 -0.378 9.319 697 HH22 ARG 81 2HH2 ARG 81 4.104 0.067 10.979 698 H ASN 82 H ASN 82 3.744 1.382 4.921 699 HA ASN 82 HA ASN 82 5.827 3.210 5.545 700 HB2 ASN 82 2HB ASN 82 5.852 0.482 4.184 701 HB3 ASN 82 1HB ASN 82 7.324 1.378 4.541 702 HD21 ASN 82 1HD2 ASN 82 7.965 -0.381 5.881 703 HD22 ASN 82 2HD2 ASN 82 7.323 -0.595 7.469 704 H SER 83 H SER 83 4.413 2.128 2.469 705 HA SER 83 HA SER 83 6.129 3.537 0.714 706 HB2 SER 83 2HB SER 83 3.188 2.814 0.341 707 HB3 SER 83 1HB SER 83 4.293 3.293 -0.946 708 HG SER 83 HG SER 83 3.928 0.875 0.159 709 H LEU 84 H LEU 84 3.116 4.470 2.375 710 HA LEU 84 HA LEU 84 2.952 7.078 1.208 711 HB2 LEU 84 2HB LEU 84 1.555 5.925 3.640 712 HB3 LEU 84 1HB LEU 84 1.166 7.477 2.910 713 HG LEU 84 HG LEU 84 0.739 4.711 1.718 714 HD11 LEU 84 1HD1 LEU 84 -1.621 5.331 1.689 715 HD12 LEU 84 2HD1 LEU 84 -1.239 6.898 2.412 716 HD13 LEU 84 3HD1 LEU 84 -0.955 5.409 3.316 717 HD21 LEU 84 3HD2 LEU 84 0.363 7.371 0.309 718 HD22 LEU 84 1HD2 LEU 84 -0.174 5.800 -0.295 719 HD23 LEU 84 2HD2 LEU 84 1.545 6.121 -0.091 720 H GLU 85 H GLU 85 4.580 5.800 4.047 721 HA GLU 85 HA GLU 85 5.186 8.241 5.394 722 HB2 GLU 85 2HB GLU 85 6.570 5.524 5.324 723 HB3 GLU 85 1HB GLU 85 7.229 6.865 6.257 724 HG2 GLU 85 2HG GLU 85 4.481 5.646 6.661 725 HG3 GLU 85 1HG GLU 85 5.912 5.270 7.619 726 H HIS 86 H HIS 86 6.739 6.389 2.818 727 HA HIS 86 HA HIS 86 8.986 8.185 2.540 728 HB2 HIS 86 2HB HIS 86 9.218 5.737 2.094 729 HB3 HIS 86 1HB HIS 86 8.115 5.895 0.729 730 HD1 HIS 86 HD1 HIS 86 11.256 7.813 1.768 731 HD2 HIS 86 HD2 HIS 86 9.630 5.904 -1.553 732 HE1 HIS 86 HE1 HIS 86 12.897 8.189 -0.099 733 HE2 HIS 86 HE2 HIS 86 11.950 6.941 -2.059 734 H ALA 87 H ALA 87 5.805 7.850 1.123 735 HA ALA 87 HA ALA 87 6.219 9.548 -1.141 736 HB1 ALA 87 3HB ALA 87 4.362 7.935 -1.051 737 HB2 ALA 87 1HB ALA 87 3.754 9.575 -1.299 738 HB3 ALA 87 2HB ALA 87 3.644 8.819 0.296 739 H ILE 88 H ILE 88 5.110 10.103 2.218 740 HA ILE 88 HA ILE 88 4.750 12.922 2.091 741 HB ILE 88 HB ILE 88 5.579 11.120 4.409 742 HG12 ILE 88 2HG1 ILE 88 2.922 12.482 3.789 743 HG13 ILE 88 1HG1 ILE 88 3.280 10.782 3.512 744 HG21 ILE 88 1HG2 ILE 88 5.090 12.978 5.968 745 HG22 ILE 88 2HG2 ILE 88 4.836 14.067 4.602 746 HG23 ILE 88 3HG2 ILE 88 6.435 13.379 4.898 747 HD11 ILE 88 3HD1 ILE 88 1.960 11.082 5.499 748 HD12 ILE 88 1HD1 ILE 88 3.168 12.160 6.188 749 HD13 ILE 88 2HD1 ILE 88 3.550 10.457 5.925 750 H ASP 89 H ASP 89 7.570 10.895 2.686 751 HA ASP 89 HA ASP 89 9.508 12.865 3.237 752 HB2 ASP 89 2HB ASP 89 9.854 10.517 3.758 753 HB3 ASP 89 1HB ASP 89 9.706 10.064 2.067 754 H LEU 90 H LEU 90 8.324 11.541 0.162 755 HA LEU 90 HA LEU 90 10.131 13.194 -1.467 756 HB2 LEU 90 2HB LEU 90 7.973 11.207 -2.278 757 HB3 LEU 90 1HB LEU 90 9.096 11.992 -3.385 758 HG LEU 90 HG LEU 90 9.843 9.998 -1.205 759 HD11 LEU 90 1HD1 LEU 90 9.772 9.635 -4.215 760 HD12 LEU 90 2HD1 LEU 90 8.662 8.926 -3.039 761 HD13 LEU 90 3HD1 LEU 90 10.359 8.455 -3.038 762 HD21 LEU 90 3HD2 LEU 90 11.642 11.328 -3.268 763 HD22 LEU 90 1HD2 LEU 90 12.120 10.051 -2.144 764 HD23 LEU 90 2HD2 LEU 90 11.644 11.630 -1.528 765 H GLU 91 H GLU 91 7.377 13.786 0.164 766 HA GLU 91 HA GLU 91 5.759 15.346 0.208 767 HB2 GLU 91 2HB GLU 91 7.295 16.691 -2.054 768 HB3 GLU 91 1HB GLU 91 6.078 17.456 -1.030 769 HG2 GLU 91 2HG GLU 91 7.554 17.119 0.935 770 HG3 GLU 91 1HG GLU 91 8.774 16.397 -0.116 771 H LEU 92 H LEU 92 5.718 13.073 -1.912 772 HA LEU 92 HA LEU 92 4.017 13.894 -4.050 773 HB2 LEU 92 2HB LEU 92 4.541 11.151 -2.850 774 HB3 LEU 92 1HB LEU 92 3.672 11.424 -4.358 775 HG LEU 92 HG LEU 92 6.604 12.116 -3.869 776 HD11 LEU 92 1HD1 LEU 92 6.260 9.691 -3.969 777 HD12 LEU 92 2HD1 LEU 92 7.141 10.269 -5.380 778 HD13 LEU 92 3HD1 LEU 92 5.430 9.853 -5.520 779 HD21 LEU 92 3HD2 LEU 92 6.724 12.593 -6.279 780 HD22 LEU 92 1HD2 LEU 92 5.570 13.660 -5.478 781 HD23 LEU 92 2HD2 LEU 92 4.990 12.299 -6.441 782 H ILE 93 H ILE 93 3.475 12.954 -0.755 783 HA ILE 93 HA ILE 93 0.729 13.950 -0.985 784 HB ILE 93 HB ILE 93 -0.057 12.343 0.808 785 HG12 ILE 93 2HG1 ILE 93 2.453 10.771 0.091 786 HG13 ILE 93 1HG1 ILE 93 2.214 11.645 1.592 787 HG21 ILE 93 1HG2 ILE 93 -0.753 12.010 -1.508 788 HG22 ILE 93 2HG2 ILE 93 -0.529 10.457 -0.705 789 HG23 ILE 93 3HG2 ILE 93 0.695 11.047 -1.832 790 HD11 ILE 93 3HD1 ILE 93 0.363 10.154 2.162 791 HD12 ILE 93 1HD1 ILE 93 1.867 9.280 1.894 792 HD13 ILE 93 2HD1 ILE 93 0.617 9.278 0.652 793 H THR 94 H THR 94 -0.012 14.873 1.018 794 HA THR 94 HA THR 94 2.157 15.857 2.757 795 HB THR 94 HB THR 94 0.517 17.715 3.300 796 HG1 THR 94 HG1 THR 94 -1.451 16.836 2.768 797 HG21 THR 94 3HG2 THR 94 0.771 18.924 1.163 798 HG22 THR 94 1HG2 THR 94 1.174 17.413 0.339 799 HG23 THR 94 2HG2 THR 94 2.257 18.066 1.572 800 H LYS 95 H LYS 95 0.313 13.297 2.897 801 HA LYS 95 HA LYS 95 -0.205 13.227 5.708 802 HB2 LYS 95 2HB LYS 95 -2.049 14.697 5.120 803 HB3 LYS 95 1HB LYS 95 -2.544 13.644 3.803 804 HG2 LYS 95 2HG LYS 95 -3.276 11.936 5.381 805 HG3 LYS 95 1HG LYS 95 -2.675 12.893 6.742 806 HD2 LYS 95 2HD LYS 95 -4.892 13.754 4.833 807 HD3 LYS 95 1HD LYS 95 -5.148 13.085 6.448 808 HE2 LYS 95 2HE LYS 95 -3.993 14.992 7.455 809 HE3 LYS 95 1HE LYS 95 -3.621 15.650 5.863 810 HZ1 LYS 95 3HZ LYS 95 -5.942 15.970 5.464 811 HZ2 LYS 95 1HZ LYS 95 -5.508 16.730 6.910 812 HZ3 LYS 95 2HZ LYS 95 -6.348 15.261 6.939 813 H ASN 96 H ASN 96 0.152 11.134 6.204 814 HA ASN 96 HA ASN 96 -0.160 8.975 4.296 815 HB2 ASN 96 2HB ASN 96 1.705 9.032 5.990 816 HB3 ASN 96 1HB ASN 96 0.514 8.814 7.263 817 HD21 ASN 96 1HD2 ASN 96 2.789 7.157 6.436 818 HD22 ASN 96 2HD2 ASN 96 2.144 5.588 6.148 819 H VAL 97 H VAL 97 -2.248 8.603 3.821 820 HA VAL 97 HA VAL 97 -4.415 8.861 5.683 821 HB VAL 97 HB VAL 97 -5.847 8.109 3.780 822 HG11 VAL 97 1HG1 VAL 97 -5.397 10.058 2.308 823 HG12 VAL 97 2HG1 VAL 97 -3.793 10.232 3.024 824 HG13 VAL 97 3HG1 VAL 97 -5.232 10.499 4.012 825 HG21 VAL 97 3HG2 VAL 97 -4.310 6.468 2.734 826 HG22 VAL 97 1HG2 VAL 97 -3.230 7.774 2.239 827 HG23 VAL 97 2HG2 VAL 97 -4.851 7.653 1.546 828 H ALA 98 H ALA 98 -2.272 6.288 4.958 829 HA ALA 98 HA ALA 98 -4.103 4.124 5.722 830 HB1 ALA 98 3HB ALA 98 -2.216 2.612 5.271 831 HB2 ALA 98 1HB ALA 98 -1.152 4.001 5.001 832 HB3 ALA 98 2HB ALA 98 -2.500 3.692 3.907 833 H ALA 99 H ALA 99 -1.836 6.271 7.177 834 HA ALA 99 HA ALA 99 -1.043 4.797 9.471 835 HB1 ALA 99 3HB ALA 99 -0.463 6.996 10.441 836 HB2 ALA 99 1HB ALA 99 -1.359 7.802 9.145 837 HB3 ALA 99 2HB ALA 99 0.088 6.868 8.768 838 H LYS 100 H LYS 100 -3.929 6.649 8.683 839 HA LYS 100 HA LYS 100 -5.135 6.463 11.331 840 HB2 LYS 100 2HB LYS 100 -6.223 7.410 8.653 841 HB3 LYS 100 1HB LYS 100 -7.134 7.480 10.160 842 HG2 LYS 100 2HG LYS 100 -4.525 8.940 9.605 843 HG3 LYS 100 1HG LYS 100 -6.141 9.658 9.541 844 HD2 LYS 100 2HD LYS 100 -6.428 9.077 11.982 845 HD3 LYS 100 1HD LYS 100 -4.758 8.504 12.003 846 HE2 LYS 100 2HE LYS 100 -5.626 11.357 11.379 847 HE3 LYS 100 1HE LYS 100 -4.978 10.795 12.924 848 HZ1 LYS 100 3HZ LYS 100 -3.533 10.721 10.330 849 HZ2 LYS 100 1HZ LYS 100 -2.915 10.235 11.822 850 HZ3 LYS 100 2HZ LYS 100 -3.285 11.860 11.554 851 H THR 101 H THR 101 -4.772 4.354 8.734 852 HA THR 101 HA THR 101 -7.323 2.921 9.165 853 HB THR 101 HB THR 101 -5.355 2.692 6.848 854 HG1 THR 101 HG1 THR 101 -6.243 4.586 6.446 855 HG21 THR 101 3HG2 THR 101 -6.733 0.644 7.118 856 HG22 THR 101 1HG2 THR 101 -7.221 1.539 5.677 857 HG23 THR 101 2HG2 THR 101 -8.203 1.623 7.141 858 H LYS 102 H LYS 102 -6.980 1.629 10.816 859 HA LYS 102 HA LYS 102 -4.555 0.052 11.187 860 HB2 LYS 102 2HB LYS 102 -7.002 0.569 12.938 861 HB3 LYS 102 1HB LYS 102 -5.785 -0.627 13.356 862 HG2 LYS 102 2HG LYS 102 -5.426 1.447 14.600 863 HG3 LYS 102 1HG LYS 102 -4.069 1.117 13.522 864 HD2 LYS 102 2HD LYS 102 -4.889 2.802 11.928 865 HD3 LYS 102 1HD LYS 102 -6.317 3.083 12.927 866 HE2 LYS 102 2HE LYS 102 -3.484 3.576 13.906 867 HE3 LYS 102 1HE LYS 102 -4.475 4.819 13.137 868 HZ1 LYS 102 3HZ LYS 102 -5.187 3.345 15.616 869 HZ2 LYS 102 1HZ LYS 102 -6.128 4.529 14.867 870 HZ3 LYS 102 2HZ LYS 102 -4.634 4.942 15.541 871 H LEU 103 H LEU 103 -4.845 -2.274 11.815 872 HA LEU 103 HA LEU 103 -6.345 -3.835 9.978 873 HB2 LEU 103 2HB LEU 103 -4.250 -4.581 11.143 874 HB3 LEU 103 1HB LEU 103 -5.129 -4.628 12.664 875 HG LEU 103 HG LEU 103 -6.580 -6.455 11.708 876 HD11 LEU 103 1HD1 LEU 103 -6.333 -5.970 9.337 877 HD12 LEU 103 2HD1 LEU 103 -5.889 -7.634 9.690 878 HD13 LEU 103 3HD1 LEU 103 -4.630 -6.432 9.394 879 HD21 LEU 103 3HD2 LEU 103 -3.616 -7.102 11.702 880 HD22 LEU 103 1HD2 LEU 103 -4.938 -8.252 11.911 881 HD23 LEU 103 2HD2 LEU 103 -4.647 -7.012 13.128 882 HA PRO 104 HA PRO 104 -10.533 -3.529 11.742 883 HB2 PRO 104 2HB PRO 104 -11.325 -6.150 10.959 884 HB3 PRO 104 1HB PRO 104 -11.494 -4.675 10.002 885 HG2 PRO 104 2HG PRO 104 -9.269 -6.713 9.970 886 HG3 PRO 104 1HG PRO 104 -10.091 -5.928 8.597 887 HD2 PRO 104 2HD PRO 104 -7.718 -5.046 9.288 888 HD3 PRO 104 1HD PRO 104 -8.994 -3.839 8.996 889 H LYS 105 H LYS 105 -9.626 -6.983 12.163 890 HA LYS 105 HA LYS 105 -9.486 -6.640 15.094 891 HB2 LYS 105 2HB LYS 105 -11.210 -8.730 13.676 892 HB3 LYS 105 1HB LYS 105 -10.787 -8.802 15.383 893 HG2 LYS 105 2HG LYS 105 -11.924 -6.560 15.678 894 HG3 LYS 105 1HG LYS 105 -12.487 -6.698 14.009 895 HD2 LYS 105 2HD LYS 105 -13.133 -8.636 16.271 896 HD3 LYS 105 1HD LYS 105 -14.212 -7.389 15.651 897 HE2 LYS 105 2HE LYS 105 -14.255 -8.526 13.452 898 HE3 LYS 105 1HE LYS 105 -13.176 -9.774 14.082 899 HZ1 LYS 105 3HZ LYS 105 -14.847 -10.425 15.651 900 HZ2 LYS 105 1HZ LYS 105 -15.523 -10.419 14.102 901 HZ3 LYS 105 2HZ LYS 105 -15.865 -9.158 15.175 902 H ALA 106 H ALA 106 -7.702 -7.506 15.824 903 HA ALA 106 HA ALA 106 -6.209 -9.533 14.290 904 HB1 ALA 106 3HB ALA 106 -5.172 -7.303 14.658 905 HB2 ALA 106 1HB ALA 106 -4.244 -8.614 15.387 906 HB3 ALA 106 2HB ALA 106 -5.249 -7.572 16.399 907 H ASP 107 H ASP 107 -5.455 -11.398 15.320 908 HA ASP 107 HA ASP 107 -5.668 -11.820 18.159 909 HB2 ASP 107 2HB ASP 107 -8.022 -12.238 17.485 910 HB3 ASP 107 1HB ASP 107 -7.485 -13.444 16.316 911 H LYS 108 H LYS 108 -3.415 -11.897 17.467 912 HA LYS 108 HA LYS 108 -2.541 -14.634 17.732 913 HB2 LYS 108 2HB LYS 108 -1.092 -14.808 15.826 914 HB3 LYS 108 1HB LYS 108 -2.633 -14.253 15.180 915 HG2 LYS 108 2HG LYS 108 -1.721 -11.908 15.195 916 HG3 LYS 108 1HG LYS 108 -0.154 -12.575 15.671 917 HD2 LYS 108 2HD LYS 108 -0.257 -13.989 13.528 918 HD3 LYS 108 1HD LYS 108 -1.662 -13.017 13.062 919 HE2 LYS 108 2HE LYS 108 1.205 -12.114 13.439 920 HE3 LYS 108 1HE LYS 108 0.193 -11.980 11.997 921 HZ1 LYS 108 3HZ LYS 108 -0.252 -10.518 14.549 922 HZ2 LYS 108 1HZ LYS 108 -1.168 -10.356 13.139 923 HZ3 LYS 108 2HZ LYS 108 0.444 -9.865 13.158 924 H GLU 109 H GLU 109 0.221 -14.276 17.531 925 HA GLU 109 HA GLU 109 0.759 -12.088 19.466 926 HB2 GLU 109 2HB GLU 109 2.368 -14.651 19.017 927 HB3 GLU 109 1HB GLU 109 2.638 -13.443 20.276 928 HG2 GLU 109 2HG GLU 109 0.421 -14.020 21.244 929 HG3 GLU 109 1HG GLU 109 0.228 -15.272 20.019 930 H GLU 110 H GLU 110 1.694 -10.363 18.436 931 HA GLU 110 HA GLU 110 3.515 -10.591 16.206 932 HB2 GLU 110 2HB GLU 110 2.929 -8.236 18.064 933 HB3 GLU 110 1HB GLU 110 4.008 -8.146 16.678 934 HG2 GLU 110 2HG GLU 110 1.922 -7.188 16.031 935 HG3 GLU 110 1HG GLU 110 2.076 -8.733 15.192 936 H LEU 111 H LEU 111 3.797 -11.209 19.498 937 HA LEU 111 HA LEU 111 6.594 -10.615 19.857 938 HB2 LEU 111 2HB LEU 111 4.749 -12.431 21.461 939 HB3 LEU 111 1HB LEU 111 6.349 -11.900 21.958 940 HG LEU 111 HG LEU 111 3.894 -10.126 21.620 941 HD11 LEU 111 1HD1 LEU 111 4.045 -9.830 24.062 942 HD12 LEU 111 2HD1 LEU 111 5.384 -10.980 24.127 943 HD13 LEU 111 3HD1 LEU 111 3.779 -11.515 23.620 944 HD21 LEU 111 3HD2 LEU 111 5.905 -8.885 20.974 945 HD22 LEU 111 1HD2 LEU 111 6.704 -9.338 22.480 946 HD23 LEU 111 2HD2 LEU 111 5.283 -8.287 22.508 947 H GLU 112 H GLU 112 4.988 -12.992 18.046 948 HA GLU 112 HA GLU 112 6.707 -15.231 18.327 949 HB2 GLU 112 2HB GLU 112 5.055 -14.247 15.968 950 HB3 GLU 112 1HB GLU 112 5.917 -15.783 15.963 951 HG2 GLU 112 2HG GLU 112 4.542 -16.639 17.763 952 HG3 GLU 112 1HG GLU 112 3.783 -15.064 18.000 953 H HIS 113 H HIS 113 8.813 -14.544 18.491 954 HA HIS 113 HA HIS 113 10.019 -12.518 16.916 955 HB2 HIS 113 2HB HIS 113 11.378 -14.672 18.583 956 HB3 HIS 113 1HB HIS 113 12.126 -13.182 18.022 957 HD1 HIS 113 HD1 HIS 113 10.378 -14.612 20.852 958 HD2 HIS 113 HD2 HIS 113 10.874 -10.810 19.243 959 HE1 HIS 113 HE1 HIS 113 9.765 -13.013 22.695 960 HE2 HIS 113 HE2 HIS 113 10.237 -10.730 21.743 961 H HIS 114 H HIS 114 10.703 -12.654 14.882 962 HA HIS 114 HA HIS 114 11.081 -15.087 13.416 963 HB2 HIS 114 2HB HIS 114 11.858 -12.208 12.743 964 HB3 HIS 114 1HB HIS 114 11.947 -13.555 11.613 965 HD1 HIS 114 HD1 HIS 114 9.924 -13.916 10.215 966 HD2 HIS 114 HD2 HIS 114 9.077 -11.689 13.621 967 HE1 HIS 114 HE1 HIS 114 7.542 -13.168 9.952 968 HE2 HIS 114 HE2 HIS 114 6.994 -12.014 12.122 969 H HIS 115 H HIS 115 12.802 -16.380 13.736 970 HA HIS 115 HA HIS 115 15.140 -15.694 15.135 971 HB2 HIS 115 2HB HIS 115 14.399 -18.060 14.885 972 HB3 HIS 115 1HB HIS 115 14.760 -18.000 13.160 973 HD1 HIS 115 HD1 HIS 115 16.330 -18.515 16.484 974 HD2 HIS 115 HD2 HIS 115 17.605 -17.948 12.562 975 HE1 HIS 115 HE1 HIS 115 18.774 -19.113 16.479 976 HE2 HIS 115 HE2 HIS 115 19.553 -18.642 14.127 977 H HIS 116 H HIS 116 16.476 -14.117 14.455 978 HA HIS 116 HA HIS 116 16.758 -13.271 11.760 979 HB2 HIS 116 2HB HIS 116 18.421 -12.665 14.240 980 HB3 HIS 116 1HB HIS 116 18.644 -11.854 12.692 981 HD1 HIS 116 HD1 HIS 116 16.586 -11.781 15.750 982 HD2 HIS 116 HD2 HIS 116 16.407 -10.196 11.913 983 HE1 HIS 116 HE1 HIS 116 14.841 -9.977 15.855 984 HE2 HIS 116 HE2 HIS 116 14.802 -8.987 13.532 985 H HIS 117 H HIS 117 17.428 -14.784 10.401 986 HA HIS 117 HA HIS 117 19.362 -16.802 10.911 987 HB2 HIS 117 2HB HIS 117 18.356 -15.835 8.198 988 HB3 HIS 117 1HB HIS 117 19.062 -17.408 8.560 989 HD1 HIS 117 HD1 HIS 117 15.868 -15.686 8.307 990 HD2 HIS 117 HD2 HIS 117 17.322 -19.010 10.341 991 HE1 HIS 117 HE1 HIS 117 13.834 -16.974 9.028 992 HE2 HIS 117 HE2 HIS 117 14.739 -18.893 10.390 993 H HIS 118 H HIS 118 19.448 -13.636 9.342 994 HA HIS 118 HA HIS 118 22.345 -13.797 8.862 995 HB2 HIS 118 2HB HIS 118 20.923 -12.916 7.018 996 HB3 HIS 118 1HB HIS 118 20.310 -11.649 8.076 997 HD1 HIS 118 HD1 HIS 118 21.478 -9.474 7.793 998 HD2 HIS 118 HD2 HIS 118 23.931 -12.662 6.752 999 HE1 HIS 118 HE1 HIS 118 23.617 -8.440 6.980 1000 HE2 HIS 118 HE2 HIS 118 25.092 -10.388 6.369 Start of MODEL 10 1 H1 MET 1 1H MET 1 3.729 23.215 -10.702 2 H2 MET 1 2H MET 1 4.615 24.514 -11.321 3 H3 MET 1 3H MET 1 5.228 23.592 -10.040 4 HA MET 1 HA MET 1 4.726 22.633 -12.785 5 HB2 MET 1 2HB MET 1 6.685 24.135 -12.647 6 HB3 MET 1 1HB MET 1 7.351 23.179 -11.327 7 HG2 MET 1 2HG MET 1 6.886 22.049 -14.107 8 HG3 MET 1 1HG MET 1 8.393 22.826 -13.621 9 HE1 MET 1 3HE MET 1 9.091 18.856 -13.736 10 HE2 MET 1 1HE MET 1 9.493 20.392 -14.505 11 HE3 MET 1 2HE MET 1 7.889 19.687 -14.721 12 H GLU 2 H GLU 2 5.838 21.904 -9.507 13 HA GLU 2 HA GLU 2 6.742 19.325 -9.711 14 HB2 GLU 2 2HB GLU 2 6.969 20.710 -7.710 15 HB3 GLU 2 1HB GLU 2 5.237 20.649 -7.421 16 HG2 GLU 2 2HG GLU 2 5.379 18.245 -6.952 17 HG3 GLU 2 1HG GLU 2 7.107 18.262 -7.302 18 HA PRO 3 HA PRO 3 2.833 17.430 -10.975 19 HB2 PRO 3 2HB PRO 3 4.289 14.980 -11.655 20 HB3 PRO 3 1HB PRO 3 3.601 16.188 -12.738 21 HG2 PRO 3 2HG PRO 3 6.301 15.814 -12.443 22 HG3 PRO 3 1HG PRO 3 5.571 17.370 -12.897 23 HD2 PRO 3 2HD PRO 3 6.512 16.446 -10.169 24 HD3 PRO 3 1HD PRO 3 6.791 18.004 -10.991 25 H SER 4 H SER 4 1.759 17.144 -9.014 26 HA SER 4 HA SER 4 2.088 14.734 -7.421 27 HB2 SER 4 2HB SER 4 -0.154 16.810 -7.456 28 HB3 SER 4 1HB SER 4 0.093 15.577 -6.219 29 HG SER 4 HG SER 4 2.346 16.687 -6.189 30 H LYS 5 H LYS 5 1.945 14.006 -10.000 31 HA LYS 5 HA LYS 5 -0.817 13.220 -10.722 32 HB2 LYS 5 2HB LYS 5 1.559 13.814 -12.545 33 HB3 LYS 5 1HB LYS 5 -0.081 13.424 -13.066 34 HG2 LYS 5 2HG LYS 5 -0.928 15.519 -12.165 35 HG3 LYS 5 1HG LYS 5 0.638 15.883 -11.434 36 HD2 LYS 5 2HD LYS 5 0.282 17.185 -13.493 37 HD3 LYS 5 1HD LYS 5 1.664 16.098 -13.641 38 HE2 LYS 5 2HE LYS 5 0.235 14.497 -14.919 39 HE3 LYS 5 1HE LYS 5 -1.109 15.633 -14.794 40 HZ1 LYS 5 3HZ LYS 5 0.022 15.806 -16.911 41 HZ2 LYS 5 1HZ LYS 5 1.478 16.173 -16.132 42 HZ3 LYS 5 2HZ LYS 5 0.174 17.242 -16.028 43 H LEU 6 H LEU 6 1.967 12.009 -9.500 44 HA LEU 6 HA LEU 6 2.513 9.702 -11.063 45 HB2 LEU 6 2HB LEU 6 4.150 10.722 -9.528 46 HB3 LEU 6 1HB LEU 6 3.118 10.365 -8.152 47 HG LEU 6 HG LEU 6 3.494 7.928 -8.507 48 HD11 LEU 6 1HD1 LEU 6 5.394 8.750 -10.728 49 HD12 LEU 6 2HD1 LEU 6 3.868 7.880 -10.925 50 HD13 LEU 6 3HD1 LEU 6 5.209 7.120 -10.071 51 HD21 LEU 6 3HD2 LEU 6 5.833 7.859 -7.747 52 HD22 LEU 6 1HD2 LEU 6 4.951 9.162 -6.957 53 HD23 LEU 6 2HD2 LEU 6 6.068 9.529 -8.276 54 H SER 7 H SER 7 1.240 7.958 -11.270 55 HA SER 7 HA SER 7 -0.985 7.309 -9.611 56 HB2 SER 7 2HB SER 7 0.486 5.559 -11.639 57 HB3 SER 7 1HB SER 7 -1.112 5.230 -10.961 58 HG SER 7 HG SER 7 -0.315 7.234 -12.766 59 H TYR 8 H TYR 8 -1.133 5.790 -7.994 60 HA TYR 8 HA TYR 8 1.090 5.512 -6.301 61 HB2 TYR 8 2HB TYR 8 -1.266 5.711 -5.537 62 HB3 TYR 8 1HB TYR 8 -1.601 4.098 -6.155 63 HD1 TYR 8 HD1 TYR 8 1.168 5.561 -4.056 64 HD2 TYR 8 HD2 TYR 8 -1.880 2.588 -4.357 65 HE1 TYR 8 HE1 TYR 8 1.828 4.659 -1.874 66 HE2 TYR 8 HE2 TYR 8 -1.224 1.698 -2.166 67 HH TYR 8 HH TYR 8 0.820 1.661 -0.750 68 H GLY 9 H GLY 9 -0.382 3.291 -8.614 69 HA2 GLY 9 2HA GLY 9 0.939 0.893 -7.797 70 HA3 GLY 9 1HA GLY 9 0.210 1.194 -9.368 71 H GLU 10 H GLU 10 1.770 3.473 -10.080 72 HA GLU 10 HA GLU 10 4.189 2.281 -11.055 73 HB2 GLU 10 2HB GLU 10 3.366 5.219 -10.984 74 HB3 GLU 10 1HB GLU 10 4.684 4.541 -11.944 75 HG2 GLU 10 2HG GLU 10 1.712 4.040 -12.283 76 HG3 GLU 10 1HG GLU 10 2.769 4.943 -13.364 77 H TYR 11 H TYR 11 3.312 4.487 -8.454 78 HA TYR 11 HA TYR 11 5.871 5.208 -7.556 79 HB2 TYR 11 2HB TYR 11 3.981 6.520 -6.801 80 HB3 TYR 11 1HB TYR 11 3.188 5.108 -6.106 81 HD1 TYR 11 HD1 TYR 11 6.385 7.056 -5.803 82 HD2 TYR 11 HD2 TYR 11 3.432 4.708 -3.788 83 HE1 TYR 11 HE1 TYR 11 7.570 7.371 -3.688 84 HE2 TYR 11 HE2 TYR 11 4.622 5.035 -1.672 85 HH TYR 11 HH TYR 11 6.847 5.544 -0.928 86 H LEU 12 H LEU 12 3.800 2.434 -6.769 87 HA LEU 12 HA LEU 12 5.247 1.504 -4.511 88 HB2 LEU 12 2HB LEU 12 3.292 0.126 -6.364 89 HB3 LEU 12 1HB LEU 12 4.000 -0.688 -4.970 90 HG LEU 12 HG LEU 12 2.310 1.842 -4.813 91 HD11 LEU 12 1HD1 LEU 12 0.562 0.411 -3.875 92 HD12 LEU 12 2HD1 LEU 12 1.548 -1.017 -4.195 93 HD13 LEU 12 3HD1 LEU 12 0.953 -0.035 -5.536 94 HD21 LEU 12 3HD2 LEU 12 3.919 1.723 -2.975 95 HD22 LEU 12 1HD2 LEU 12 3.414 0.071 -2.601 96 HD23 LEU 12 2HD2 LEU 12 2.293 1.414 -2.380 97 H GLU 13 H GLU 13 5.545 0.852 -7.955 98 HA GLU 13 HA GLU 13 7.444 -1.284 -7.733 99 HB2 GLU 13 2HB GLU 13 6.675 0.564 -10.028 100 HB3 GLU 13 1HB GLU 13 7.842 -0.748 -10.207 101 HG2 GLU 13 2HG GLU 13 4.942 -1.082 -9.360 102 HG3 GLU 13 1HG GLU 13 5.566 -1.362 -10.985 103 H SER 14 H SER 14 7.688 2.217 -8.160 104 HA SER 14 HA SER 14 10.499 2.463 -8.398 105 HB2 SER 14 2HB SER 14 8.930 4.281 -8.994 106 HB3 SER 14 1HB SER 14 8.427 4.421 -7.311 107 HG SER 14 HG SER 14 10.027 5.972 -8.031 108 H TRP 15 H TRP 15 8.315 2.648 -5.636 109 HA TRP 15 HA TRP 15 10.069 3.111 -3.513 110 HB2 TRP 15 2HB TRP 15 7.673 3.415 -3.180 111 HB3 TRP 15 1HB TRP 15 7.334 1.747 -3.615 112 HD1 TRP 15 HD1 TRP 15 9.212 3.665 -0.809 113 HE1 TRP 15 HE1 TRP 15 8.890 2.402 1.394 114 HE3 TRP 15 HE3 TRP 15 6.633 -0.397 -2.558 115 HZ2 TRP 15 HZ2 TRP 15 7.743 0.015 2.294 116 HZ3 TRP 15 HZ3 TRP 15 5.975 -2.145 -0.942 117 HH2 TRP 15 HH2 TRP 15 6.525 -1.937 1.440 118 H PHE 16 H PHE 16 8.830 0.145 -4.963 119 HA PHE 16 HA PHE 16 9.839 -1.756 -3.181 120 HB2 PHE 16 2HB PHE 16 8.112 -2.376 -4.789 121 HB3 PHE 16 1HB PHE 16 9.160 -1.976 -6.146 122 HD1 PHE 16 HD2 PHE 16 9.234 -4.166 -3.096 123 HD2 PHE 16 HD1 PHE 16 10.151 -3.793 -7.251 124 HE1 PHE 16 HE2 PHE 16 10.099 -6.448 -3.121 125 HE2 PHE 16 HE1 PHE 16 11.021 -6.090 -7.259 126 HZ PHE 16 HZ PHE 16 10.991 -7.425 -5.189 127 H ASN 17 H ASN 17 11.226 -0.399 -6.171 128 HA ASN 17 HA ASN 17 13.541 -1.970 -6.392 129 HB2 ASN 17 2HB ASN 17 13.019 0.897 -7.280 130 HB3 ASN 17 1HB ASN 17 14.443 -0.024 -7.761 131 HD21 ASN 17 1HD2 ASN 17 12.164 1.084 -9.308 132 HD22 ASN 17 2HD2 ASN 17 11.573 -0.247 -10.230 133 H THR 18 H THR 18 13.022 1.112 -4.698 134 HA THR 18 HA THR 18 15.622 1.395 -3.586 135 HB THR 18 HB THR 18 12.962 2.513 -2.560 136 HG1 THR 18 HG1 THR 18 14.138 2.974 -4.858 137 HG21 THR 18 3HG2 THR 18 15.797 3.555 -2.146 138 HG22 THR 18 1HG2 THR 18 14.805 2.759 -0.911 139 HG23 THR 18 2HG2 THR 18 14.318 4.320 -1.566 140 H LYS 19 H LYS 19 12.690 -0.271 -2.536 141 HA LYS 19 HA LYS 19 13.273 -0.441 0.240 142 HB2 LYS 19 2HB LYS 19 10.962 -0.493 -0.863 143 HB3 LYS 19 1HB LYS 19 11.292 -2.152 -1.330 144 HG2 LYS 19 2HG LYS 19 9.897 -2.112 0.659 145 HG3 LYS 19 1HG LYS 19 11.487 -2.771 1.074 146 HD2 LYS 19 2HD LYS 19 12.165 -0.644 2.067 147 HD3 LYS 19 1HD LYS 19 10.675 0.134 1.524 148 HE2 LYS 19 2HE LYS 19 9.372 -1.347 3.016 149 HE3 LYS 19 1HE LYS 19 10.868 -2.112 3.558 150 HZ1 LYS 19 3HZ LYS 19 11.583 0.010 4.450 151 HZ2 LYS 19 1HZ LYS 19 10.091 -0.445 5.102 152 HZ3 LYS 19 2HZ LYS 19 10.158 0.744 3.905 153 H ARG 20 H ARG 20 13.807 -2.565 -2.511 154 HA ARG 20 HA ARG 20 14.411 -5.012 -1.377 155 HB2 ARG 20 2HB ARG 20 15.767 -3.685 -3.759 156 HB3 ARG 20 1HB ARG 20 15.892 -5.400 -3.377 157 HG2 ARG 20 2HG ARG 20 13.469 -5.662 -3.731 158 HG3 ARG 20 1HG ARG 20 13.330 -3.942 -4.076 159 HD2 ARG 20 2HD ARG 20 13.358 -5.096 -6.181 160 HD3 ARG 20 1HD ARG 20 14.904 -4.257 -6.014 161 HE ARG 20 HE ARG 20 14.984 -6.978 -5.085 162 HH11 ARG 20 1HH1 ARG 20 15.330 -4.982 -7.965 163 HH12 ARG 20 2HH1 ARG 20 16.190 -6.206 -8.839 164 HH21 ARG 20 1HH2 ARG 20 16.075 -8.554 -6.253 165 HH22 ARG 20 2HH2 ARG 20 16.607 -8.228 -7.869 166 H HIS 21 H HIS 21 16.396 -2.126 -1.457 167 HA HIS 21 HA HIS 21 18.849 -3.389 -0.584 168 HB2 HIS 21 2HB HIS 21 18.116 -0.438 -0.840 169 HB3 HIS 21 1HB HIS 21 19.735 -1.055 -0.521 170 HD1 HIS 21 HD1 HIS 21 21.150 -1.333 -2.535 171 HD2 HIS 21 HD2 HIS 21 17.102 -1.437 -3.463 172 HE1 HIS 21 HE1 HIS 21 21.033 -1.435 -5.042 173 HE2 HIS 21 HE2 HIS 21 18.579 -1.251 -5.566 174 H SER 22 H SER 22 16.103 -1.911 0.931 175 HA SER 22 HA SER 22 17.448 -1.466 3.499 176 HB2 SER 22 2HB SER 22 15.945 0.284 2.499 177 HB3 SER 22 1HB SER 22 14.578 -0.816 2.689 178 HG SER 22 HG SER 22 16.246 -0.136 4.865 179 H VAL 23 H VAL 23 15.433 -3.811 1.965 180 HA VAL 23 HA VAL 23 15.056 -5.281 4.522 181 HB VAL 23 HB VAL 23 12.998 -6.300 3.691 182 HG11 VAL 23 1HG1 VAL 23 11.465 -4.358 3.654 183 HG12 VAL 23 2HG1 VAL 23 12.835 -3.278 3.380 184 HG13 VAL 23 3HG1 VAL 23 12.712 -4.182 4.891 185 HG21 VAL 23 3HG2 VAL 23 11.914 -5.648 1.555 186 HG22 VAL 23 1HG2 VAL 23 13.481 -6.411 1.281 187 HG23 VAL 23 2HG2 VAL 23 13.317 -4.660 1.142 188 H GLY 24 H GLY 24 14.765 -7.730 4.044 189 HA2 GLY 24 2HA GLY 24 16.913 -8.786 2.506 190 HA3 GLY 24 1HA GLY 24 15.580 -9.707 3.198 191 H ILE 25 H ILE 25 16.898 -9.752 0.471 192 HA ILE 25 HA ILE 25 15.118 -8.749 -1.497 193 HB ILE 25 HB ILE 25 17.170 -11.007 -1.664 194 HG12 ILE 25 2HG1 ILE 25 18.125 -8.761 -1.145 195 HG13 ILE 25 1HG1 ILE 25 18.642 -9.326 -2.727 196 HG21 ILE 25 1HG2 ILE 25 17.075 -10.749 -4.153 197 HG22 ILE 25 2HG2 ILE 25 15.692 -9.666 -3.969 198 HG23 ILE 25 3HG2 ILE 25 15.565 -11.355 -3.472 199 HD11 ILE 25 3HD1 ILE 25 18.114 -6.969 -2.760 200 HD12 ILE 25 1HD1 ILE 25 16.481 -7.293 -2.197 201 HD13 ILE 25 2HD1 ILE 25 16.995 -7.860 -3.790 202 H GLN 26 H GLN 26 15.326 -11.869 0.165 203 HA GLN 26 HA GLN 26 13.215 -13.195 -1.189 204 HB2 GLN 26 2HB GLN 26 13.245 -14.791 0.654 205 HB3 GLN 26 1HB GLN 26 14.895 -14.360 0.216 206 HG2 GLN 26 2HG GLN 26 14.987 -12.819 2.171 207 HG3 GLN 26 1HG GLN 26 13.354 -13.311 2.615 208 HE21 GLN 26 1HE2 GLN 26 15.935 -15.464 1.436 209 HE22 GLN 26 2HE2 GLN 26 16.099 -16.348 2.910 210 H THR 27 H THR 27 13.301 -11.030 1.576 211 HA THR 27 HA THR 27 10.555 -11.267 2.375 212 HB THR 27 HB THR 27 12.522 -9.011 2.996 213 HG1 THR 27 HG1 THR 27 12.058 -11.385 4.508 214 HG21 THR 27 3HG2 THR 27 10.109 -9.992 4.575 215 HG22 THR 27 1HG2 THR 27 10.171 -8.493 3.626 216 HG23 THR 27 2HG2 THR 27 11.200 -8.689 5.042 217 H ALA 28 H ALA 28 12.360 -9.249 0.156 218 HA ALA 28 HA ALA 28 10.510 -7.113 -0.192 219 HB1 ALA 28 3HB ALA 28 12.740 -8.062 -2.044 220 HB2 ALA 28 1HB ALA 28 12.918 -6.887 -0.738 221 HB3 ALA 28 2HB ALA 28 11.913 -6.505 -2.136 222 H LYS 29 H LYS 29 11.224 -10.102 -1.950 223 HA LYS 29 HA LYS 29 9.422 -9.978 -4.068 224 HB2 LYS 29 2HB LYS 29 11.251 -11.660 -3.730 225 HB3 LYS 29 1HB LYS 29 10.295 -12.437 -2.481 226 HG2 LYS 29 2HG LYS 29 9.274 -12.205 -5.335 227 HG3 LYS 29 1HG LYS 29 10.389 -13.490 -4.871 228 HD2 LYS 29 2HD LYS 29 7.591 -13.020 -3.740 229 HD3 LYS 29 1HD LYS 29 8.071 -14.309 -4.847 230 HE2 LYS 29 2HE LYS 29 9.554 -15.246 -3.092 231 HE3 LYS 29 1HE LYS 29 9.069 -13.955 -1.993 232 HZ1 LYS 29 3HZ LYS 29 6.807 -14.776 -2.093 233 HZ2 LYS 29 1HZ LYS 29 7.873 -15.969 -1.546 234 HZ3 LYS 29 2HZ LYS 29 7.284 -16.025 -3.128 235 H VAL 30 H VAL 30 8.931 -10.908 -0.696 236 HA VAL 30 HA VAL 30 6.264 -11.903 -0.905 237 HB VAL 30 HB VAL 30 7.641 -10.743 1.570 238 HG11 VAL 30 1HG1 VAL 30 5.302 -12.675 1.361 239 HG12 VAL 30 2HG1 VAL 30 5.217 -10.993 1.884 240 HG13 VAL 30 3HG1 VAL 30 6.086 -12.174 2.864 241 HG21 VAL 30 3HG2 VAL 30 7.625 -13.627 0.593 242 HG22 VAL 30 1HG2 VAL 30 8.308 -13.055 2.117 243 HG23 VAL 30 2HG2 VAL 30 9.013 -12.538 0.587 244 H LEU 31 H LEU 31 7.652 -8.722 -0.094 245 HA LEU 31 HA LEU 31 5.251 -7.359 0.537 246 HB2 LEU 31 2HB LEU 31 7.835 -6.163 -0.548 247 HB3 LEU 31 1HB LEU 31 6.533 -5.267 0.228 248 HG LEU 31 HG LEU 31 8.421 -7.263 1.541 249 HD11 LEU 31 1HD1 LEU 31 9.189 -5.353 2.857 250 HD12 LEU 31 2HD1 LEU 31 8.061 -4.287 2.015 251 HD13 LEU 31 3HD1 LEU 31 9.390 -5.044 1.131 252 HD21 LEU 31 3HD2 LEU 31 7.268 -6.807 3.672 253 HD22 LEU 31 1HD2 LEU 31 6.174 -7.558 2.515 254 HD23 LEU 31 2HD2 LEU 31 6.065 -5.824 2.832 255 H LYS 32 H LYS 32 7.017 -7.736 -2.519 256 HA LYS 32 HA LYS 32 5.311 -6.052 -4.086 257 HB2 LYS 32 2HB LYS 32 7.630 -6.491 -4.772 258 HB3 LYS 32 1HB LYS 32 7.285 -8.210 -4.934 259 HG2 LYS 32 2HG LYS 32 5.696 -7.701 -6.776 260 HG3 LYS 32 1HG LYS 32 6.073 -5.985 -6.620 261 HD2 LYS 32 2HD LYS 32 8.323 -6.317 -7.393 262 HD3 LYS 32 1HD LYS 32 8.189 -8.072 -7.264 263 HE2 LYS 32 2HE LYS 32 8.061 -7.218 -9.615 264 HE3 LYS 32 1HE LYS 32 6.653 -8.158 -9.129 265 HZ1 LYS 32 3HZ LYS 32 6.114 -6.133 -10.370 266 HZ2 LYS 32 1HZ LYS 32 6.775 -5.196 -9.130 267 HZ3 LYS 32 2HZ LYS 32 5.415 -6.155 -8.832 268 H GLY 33 H GLY 33 5.373 -9.449 -3.232 269 HA2 GLY 33 2HA GLY 33 3.355 -10.465 -4.908 270 HA3 GLY 33 1HA GLY 33 3.770 -11.080 -3.311 271 H TYR 34 H TYR 34 3.221 -8.664 -1.873 272 HA TYR 34 HA TYR 34 0.353 -8.729 -1.604 273 HB2 TYR 34 2HB TYR 34 2.413 -6.870 -0.326 274 HB3 TYR 34 1HB TYR 34 0.716 -6.988 0.150 275 HD1 TYR 34 HD2 TYR 34 0.443 -10.038 0.001 276 HD2 TYR 34 HD1 TYR 34 3.444 -7.536 1.740 277 HE1 TYR 34 HE2 TYR 34 1.001 -11.813 1.590 278 HE2 TYR 34 HE1 TYR 34 4.000 -9.321 3.335 279 HH TYR 34 HH TYR 34 2.900 -12.513 2.938 280 H LEU 35 H LEU 35 2.753 -6.470 -2.964 281 HA LEU 35 HA LEU 35 1.100 -4.218 -3.259 282 HB2 LEU 35 2HB LEU 35 3.572 -5.042 -4.818 283 HB3 LEU 35 1HB LEU 35 2.776 -3.490 -5.042 284 HG LEU 35 HG LEU 35 4.112 -4.454 -2.481 285 HD11 LEU 35 1HD1 LEU 35 5.753 -2.675 -2.893 286 HD12 LEU 35 2HD1 LEU 35 4.960 -2.277 -4.418 287 HD13 LEU 35 3HD1 LEU 35 5.739 -3.848 -4.210 288 HD21 LEU 35 3HD2 LEU 35 2.697 -1.829 -3.046 289 HD22 LEU 35 1HD2 LEU 35 3.649 -2.187 -1.604 290 HD23 LEU 35 2HD2 LEU 35 2.172 -3.090 -1.928 291 H ASN 36 H ASN 36 2.056 -6.589 -5.746 292 HA ASN 36 HA ASN 36 0.472 -5.304 -7.753 293 HB2 ASN 36 2HB ASN 36 2.105 -7.859 -7.800 294 HB3 ASN 36 1HB ASN 36 1.232 -7.258 -9.203 295 HD21 ASN 36 1HD2 ASN 36 3.063 -5.314 -6.826 296 HD22 ASN 36 2HD2 ASN 36 4.211 -4.717 -7.955 297 H SER 37 H SER 37 -0.078 -8.022 -5.594 298 HA SER 37 HA SER 37 -2.345 -9.043 -7.132 299 HB2 SER 37 2HB SER 37 -0.846 -10.634 -5.994 300 HB3 SER 37 1HB SER 37 -1.229 -9.910 -4.433 301 HG SER 37 HG SER 37 -3.348 -10.835 -6.020 302 H ARG 38 H ARG 38 -1.832 -7.237 -4.097 303 HA ARG 38 HA ARG 38 -4.726 -7.211 -3.542 304 HB2 ARG 38 2HB ARG 38 -2.396 -6.307 -1.808 305 HB3 ARG 38 1HB ARG 38 -4.090 -6.262 -1.316 306 HG2 ARG 38 2HG ARG 38 -2.590 -8.813 -2.035 307 HG3 ARG 38 1HG ARG 38 -2.732 -8.179 -0.395 308 HD2 ARG 38 2HD ARG 38 -4.389 -9.873 -0.586 309 HD3 ARG 38 1HD ARG 38 -5.266 -8.352 -0.668 310 HE ARG 38 HE ARG 38 -5.027 -8.857 -3.249 311 HH11 ARG 38 1HH1 ARG 38 -5.796 -11.150 -0.719 312 HH12 ARG 38 2HH1 ARG 38 -6.840 -12.083 -1.741 313 HH21 ARG 38 1HH2 ARG 38 -6.401 -10.067 -4.552 314 HH22 ARG 38 2HH2 ARG 38 -7.204 -11.459 -3.898 315 H ILE 39 H ILE 39 -2.011 -4.829 -3.692 316 HA ILE 39 HA ILE 39 -3.875 -2.643 -3.335 317 HB ILE 39 HB ILE 39 -0.854 -2.508 -3.775 318 HG12 ILE 39 2HG1 ILE 39 -0.961 -1.765 -1.241 319 HG13 ILE 39 1HG1 ILE 39 -2.536 -2.545 -1.227 320 HG21 ILE 39 1HG2 ILE 39 -1.037 -0.172 -2.953 321 HG22 ILE 39 2HG2 ILE 39 -2.797 -0.322 -2.928 322 HG23 ILE 39 3HG2 ILE 39 -1.924 -0.420 -4.458 323 HD11 ILE 39 3HD1 ILE 39 0.128 -3.836 -1.769 324 HD12 ILE 39 1HD1 ILE 39 -1.429 -4.665 -1.816 325 HD13 ILE 39 2HD1 ILE 39 -0.847 -3.970 -0.305 326 H ILE 40 H ILE 40 -1.909 -3.862 -6.080 327 HA ILE 40 HA ILE 40 -2.169 -1.582 -7.709 328 HB ILE 40 HB ILE 40 -1.124 -4.325 -8.137 329 HG12 ILE 40 2HG1 ILE 40 0.722 -3.097 -9.304 330 HG13 ILE 40 1HG1 ILE 40 -0.191 -1.601 -9.172 331 HG21 ILE 40 1HG2 ILE 40 -2.096 -2.826 -10.589 332 HG22 ILE 40 2HG2 ILE 40 -2.686 -4.385 -10.007 333 HG23 ILE 40 3HG2 ILE 40 -1.033 -4.235 -10.607 334 HD11 ILE 40 3HD1 ILE 40 1.575 -1.691 -7.547 335 HD12 ILE 40 1HD1 ILE 40 0.954 -3.208 -6.901 336 HD13 ILE 40 2HD1 ILE 40 0.013 -1.724 -6.729 337 HA PRO 41 HA PRO 41 -6.138 -3.594 -9.785 338 HB2 PRO 41 2HB PRO 41 -7.656 -5.241 -8.158 339 HB3 PRO 41 1HB PRO 41 -6.484 -5.833 -9.345 340 HG2 PRO 41 2HG PRO 41 -6.123 -5.415 -6.378 341 HG3 PRO 41 1HG PRO 41 -5.653 -6.808 -7.378 342 HD2 PRO 41 2HD PRO 41 -3.834 -4.966 -6.660 343 HD3 PRO 41 1HD PRO 41 -3.787 -5.697 -8.281 344 H SER 42 H SER 42 -5.744 -2.564 -6.487 345 HA SER 42 HA SER 42 -8.431 -1.353 -6.302 346 HB2 SER 42 2HB SER 42 -7.752 -2.666 -4.374 347 HB3 SER 42 1HB SER 42 -6.219 -1.807 -4.255 348 HG SER 42 HG SER 42 -8.816 -0.816 -3.731 349 H LEU 43 H LEU 43 -5.223 -0.221 -5.212 350 HA LEU 43 HA LEU 43 -5.934 2.572 -5.697 351 HB2 LEU 43 2HB LEU 43 -3.639 1.327 -4.135 352 HB3 LEU 43 1HB LEU 43 -4.059 3.034 -4.146 353 HG LEU 43 HG LEU 43 -5.912 0.861 -3.072 354 HD11 LEU 43 1HD1 LEU 43 -5.238 1.557 -0.808 355 HD12 LEU 43 2HD1 LEU 43 -4.025 2.643 -1.488 356 HD13 LEU 43 3HD1 LEU 43 -3.872 0.898 -1.707 357 HD21 LEU 43 3HD2 LEU 43 -7.105 2.748 -2.014 358 HD22 LEU 43 1HD2 LEU 43 -7.075 2.910 -3.769 359 HD23 LEU 43 2HD2 LEU 43 -5.993 3.888 -2.774 360 H GLY 44 H GLY 44 -4.291 0.194 -7.374 361 HA2 GLY 44 2HA GLY 44 -1.755 1.240 -7.963 362 HA3 GLY 44 1HA GLY 44 -2.627 0.079 -8.946 363 H ASN 45 H ASN 45 -4.738 1.497 -9.918 364 HA ASN 45 HA ASN 45 -3.493 3.259 -11.858 365 HB2 ASN 45 2HB ASN 45 -6.388 2.365 -11.549 366 HB3 ASN 45 1HB ASN 45 -5.773 3.309 -12.903 367 HD21 ASN 45 1HD2 ASN 45 -3.231 1.810 -13.065 368 HD22 ASN 45 2HD2 ASN 45 -3.635 0.279 -13.748 369 H ILE 46 H ILE 46 -5.078 3.647 -8.858 370 HA ILE 46 HA ILE 46 -6.089 6.318 -9.236 371 HB ILE 46 HB ILE 46 -5.476 4.781 -6.663 372 HG12 ILE 46 2HG1 ILE 46 -8.133 5.151 -8.135 373 HG13 ILE 46 1HG1 ILE 46 -7.208 3.655 -8.053 374 HG21 ILE 46 1HG2 ILE 46 -5.525 7.215 -6.257 375 HG22 ILE 46 2HG2 ILE 46 -6.909 6.422 -5.511 376 HG23 ILE 46 3HG2 ILE 46 -7.120 7.318 -7.014 377 HD11 ILE 46 3HD1 ILE 46 -7.598 3.583 -5.615 378 HD12 ILE 46 1HD1 ILE 46 -9.096 3.581 -6.549 379 HD13 ILE 46 2HD1 ILE 46 -8.564 5.055 -5.744 380 H LYS 47 H LYS 47 -5.041 8.228 -8.822 381 HA LYS 47 HA LYS 47 -2.196 8.342 -8.740 382 HB2 LYS 47 2HB LYS 47 -4.171 10.614 -8.231 383 HB3 LYS 47 1HB LYS 47 -2.467 10.778 -8.667 384 HG2 LYS 47 2HG LYS 47 -4.678 9.640 -10.413 385 HG3 LYS 47 1HG LYS 47 -3.912 11.223 -10.592 386 HD2 LYS 47 2HD LYS 47 -1.749 10.122 -11.106 387 HD3 LYS 47 1HD LYS 47 -2.494 8.536 -10.894 388 HE2 LYS 47 2HE LYS 47 -2.285 9.097 -13.274 389 HE3 LYS 47 1HE LYS 47 -3.981 8.970 -12.809 390 HZ1 LYS 47 3HZ LYS 47 -3.555 10.881 -14.230 391 HZ2 LYS 47 1HZ LYS 47 -2.472 11.508 -13.091 392 HZ3 LYS 47 2HZ LYS 47 -4.109 11.362 -12.708 393 H LEU 48 H LEU 48 -0.863 9.001 -7.094 394 HA LEU 48 HA LEU 48 -1.253 8.115 -4.497 395 HB2 LEU 48 2HB LEU 48 0.943 8.434 -5.543 396 HB3 LEU 48 1HB LEU 48 0.700 10.170 -5.609 397 HG LEU 48 HG LEU 48 0.793 10.265 -3.106 398 HD11 LEU 48 1HD1 LEU 48 1.561 8.307 -1.830 399 HD12 LEU 48 2HD1 LEU 48 1.461 7.311 -3.284 400 HD13 LEU 48 3HD1 LEU 48 -0.003 8.008 -2.587 401 HD21 LEU 48 3HD2 LEU 48 3.211 9.886 -2.903 402 HD22 LEU 48 1HD2 LEU 48 2.827 10.663 -4.435 403 HD23 LEU 48 2HD2 LEU 48 3.205 8.938 -4.392 404 H ALA 49 H ALA 49 -1.605 11.378 -5.824 405 HA ALA 49 HA ALA 49 -2.139 12.826 -3.457 406 HB1 ALA 49 3HB ALA 49 -2.990 13.434 -6.311 407 HB2 ALA 49 1HB ALA 49 -1.446 13.875 -5.578 408 HB3 ALA 49 2HB ALA 49 -2.942 14.591 -4.977 409 H LYS 50 H LYS 50 -4.151 10.757 -5.384 410 HA LYS 50 HA LYS 50 -6.684 11.881 -4.465 411 HB2 LYS 50 2HB LYS 50 -6.101 9.573 -6.362 412 HB3 LYS 50 1HB LYS 50 -7.713 10.193 -5.996 413 HG2 LYS 50 2HG LYS 50 -5.462 11.684 -7.387 414 HG3 LYS 50 1HG LYS 50 -6.950 11.078 -8.125 415 HD2 LYS 50 2HD LYS 50 -8.284 12.668 -6.791 416 HD3 LYS 50 1HD LYS 50 -6.827 13.233 -5.966 417 HE2 LYS 50 2HE LYS 50 -5.949 14.005 -8.191 418 HE3 LYS 50 1HE LYS 50 -7.503 13.570 -8.905 419 HZ1 LYS 50 3HZ LYS 50 -7.400 15.903 -8.371 420 HZ2 LYS 50 1HZ LYS 50 -7.077 15.560 -6.749 421 HZ3 LYS 50 2HZ LYS 50 -8.572 15.145 -7.419 422 H LEU 51 H LEU 51 -4.533 9.401 -3.413 423 HA LEU 51 HA LEU 51 -6.386 7.533 -2.353 424 HB2 LEU 51 2HB LEU 51 -3.486 8.129 -1.844 425 HB3 LEU 51 1HB LEU 51 -4.331 7.277 -0.566 426 HG LEU 51 HG LEU 51 -5.013 5.534 -2.277 427 HD11 LEU 51 1HD1 LEU 51 -2.957 6.906 -4.028 428 HD12 LEU 51 2HD1 LEU 51 -4.694 6.829 -4.326 429 HD13 LEU 51 3HD1 LEU 51 -3.733 5.352 -4.354 430 HD21 LEU 51 3HD2 LEU 51 -2.875 4.368 -2.213 431 HD22 LEU 51 1HD2 LEU 51 -3.197 5.157 -0.669 432 HD23 LEU 51 2HD2 LEU 51 -2.041 5.867 -1.800 433 H THR 52 H THR 52 -8.025 8.271 -1.199 434 HA THR 52 HA THR 52 -7.578 9.974 1.178 435 HB THR 52 HB THR 52 -8.979 11.025 -0.597 436 HG1 THR 52 HG1 THR 52 -10.137 11.901 0.926 437 HG21 THR 52 3HG2 THR 52 -11.237 10.168 -1.100 438 HG22 THR 52 1HG2 THR 52 -10.926 8.742 -0.102 439 HG23 THR 52 2HG2 THR 52 -10.003 9.003 -1.584 440 H SER 53 H SER 53 -9.668 9.572 2.712 441 HA SER 53 HA SER 53 -9.218 7.020 3.880 442 HB2 SER 53 2HB SER 53 -9.744 9.035 5.224 443 HB3 SER 53 1HB SER 53 -11.371 9.072 4.547 444 HG SER 53 HG SER 53 -10.971 6.634 5.520 445 H LEU 54 H LEU 54 -11.676 8.219 1.650 446 HA LEU 54 HA LEU 54 -13.524 6.068 1.877 447 HB2 LEU 54 2HB LEU 54 -14.115 8.175 0.719 448 HB3 LEU 54 1HB LEU 54 -12.916 7.848 -0.525 449 HG LEU 54 HG LEU 54 -14.213 5.833 -1.243 450 HD11 LEU 54 1HD1 LEU 54 -15.286 5.212 0.845 451 HD12 LEU 54 2HD1 LEU 54 -16.504 5.460 -0.403 452 HD13 LEU 54 3HD1 LEU 54 -16.250 6.694 0.832 453 HD21 LEU 54 3HD2 LEU 54 -16.109 7.003 -2.292 454 HD22 LEU 54 1HD2 LEU 54 -14.619 7.938 -2.409 455 HD23 LEU 54 2HD2 LEU 54 -15.850 8.386 -1.226 456 H HIS 55 H HIS 55 -10.650 6.601 -0.146 457 HA HIS 55 HA HIS 55 -10.781 4.194 -1.667 458 HB2 HIS 55 2HB HIS 55 -8.448 6.048 -1.032 459 HB3 HIS 55 1HB HIS 55 -8.313 4.672 -2.119 460 HD1 HIS 55 HD1 HIS 55 -7.581 6.824 -3.660 461 HD2 HIS 55 HD2 HIS 55 -11.621 6.318 -2.861 462 HE1 HIS 55 HE1 HIS 55 -8.770 8.141 -5.403 463 HE2 HIS 55 HE2 HIS 55 -11.217 7.635 -5.043 464 H MET 56 H MET 56 -9.414 5.007 1.453 465 HA MET 56 HA MET 56 -7.962 2.619 1.953 466 HB2 MET 56 2HB MET 56 -9.246 4.612 3.858 467 HB3 MET 56 1HB MET 56 -8.167 3.319 4.365 468 HG2 MET 56 2HG MET 56 -7.380 5.560 2.488 469 HG3 MET 56 1HG MET 56 -7.075 5.546 4.220 470 HE1 MET 56 3HE MET 56 -5.533 4.851 0.826 471 HE2 MET 56 1HE MET 56 -6.380 3.304 0.934 472 HE3 MET 56 2HE MET 56 -4.622 3.351 1.022 473 H GLN 57 H GLN 57 -11.278 3.645 2.763 474 HA GLN 57 HA GLN 57 -12.128 1.317 4.096 475 HB2 GLN 57 2HB GLN 57 -13.357 3.446 4.271 476 HB3 GLN 57 1HB GLN 57 -13.767 3.384 2.566 477 HG2 GLN 57 2HG GLN 57 -15.681 2.744 3.954 478 HG3 GLN 57 1HG GLN 57 -15.167 1.396 2.943 479 HE21 GLN 57 1HE2 GLN 57 -14.232 -0.442 3.950 480 HE22 GLN 57 2HE2 GLN 57 -14.343 -0.709 5.654 481 H ASN 58 H ASN 58 -12.407 2.301 0.687 482 HA ASN 58 HA ASN 58 -13.867 0.139 -0.328 483 HB2 ASN 58 2HB ASN 58 -11.844 1.953 -1.716 484 HB3 ASN 58 1HB ASN 58 -12.880 0.815 -2.573 485 HD21 ASN 58 1HD2 ASN 58 -12.719 3.718 -2.787 486 HD22 ASN 58 2HD2 ASN 58 -14.305 4.319 -2.466 487 H TYR 59 H TYR 59 -10.415 0.568 0.240 488 HA TYR 59 HA TYR 59 -9.481 -1.785 -1.043 489 HB2 TYR 59 2HB TYR 59 -7.977 0.096 -0.447 490 HB3 TYR 59 1HB TYR 59 -8.237 -0.226 1.266 491 HD1 TYR 59 HD2 TYR 59 -7.035 -1.962 -1.856 492 HD2 TYR 59 HD1 TYR 59 -6.670 -1.615 2.386 493 HE1 TYR 59 HE2 TYR 59 -5.167 -3.559 -1.882 494 HE2 TYR 59 HE1 TYR 59 -4.814 -3.220 2.352 495 HH TYR 59 HH TYR 59 -3.273 -4.203 -0.513 496 H VAL 60 H VAL 60 -10.340 -1.089 2.364 497 HA VAL 60 HA VAL 60 -9.771 -3.675 3.412 498 HB VAL 60 HB VAL 60 -11.636 -1.547 4.573 499 HG11 VAL 60 1HG1 VAL 60 -10.257 -3.884 5.971 500 HG12 VAL 60 2HG1 VAL 60 -11.987 -3.754 5.644 501 HG13 VAL 60 3HG1 VAL 60 -11.216 -2.631 6.766 502 HG21 VAL 60 3HG2 VAL 60 -9.370 -0.653 4.195 503 HG22 VAL 60 1HG2 VAL 60 -8.666 -2.004 5.087 504 HG23 VAL 60 2HG2 VAL 60 -9.685 -0.827 5.920 505 H ASN 61 H ASN 61 -12.605 -2.300 1.874 506 HA ASN 61 HA ASN 61 -14.533 -4.262 2.533 507 HB2 ASN 61 2HB ASN 61 -14.325 -2.438 0.095 508 HB3 ASN 61 1HB ASN 61 -15.729 -3.448 0.436 509 HD21 ASN 61 1HD2 ASN 61 -15.534 -0.542 0.221 510 HD22 ASN 61 2HD2 ASN 61 -16.145 0.085 1.710 511 H SER 62 H SER 62 -12.150 -4.019 -0.102 512 HA SER 62 HA SER 62 -12.883 -6.415 -1.468 513 HB2 SER 62 2HB SER 62 -10.288 -4.817 -1.531 514 HB3 SER 62 1HB SER 62 -10.705 -6.114 -2.659 515 HG SER 62 HG SER 62 -12.378 -4.876 -3.429 516 H LEU 63 H LEU 63 -10.546 -5.692 1.135 517 HA LEU 63 HA LEU 63 -9.203 -8.196 1.190 518 HB2 LEU 63 2HB LEU 63 -9.743 -6.420 3.607 519 HB3 LEU 63 1HB LEU 63 -8.433 -7.577 3.410 520 HG LEU 63 HG LEU 63 -8.751 -4.881 2.054 521 HD11 LEU 63 1HD1 LEU 63 -6.636 -4.328 3.158 522 HD12 LEU 63 2HD1 LEU 63 -6.594 -5.927 3.907 523 HD13 LEU 63 3HD1 LEU 63 -7.874 -4.784 4.325 524 HD21 LEU 63 3HD2 LEU 63 -7.940 -6.397 0.346 525 HD22 LEU 63 1HD2 LEU 63 -6.675 -6.999 1.419 526 HD23 LEU 63 2HD2 LEU 63 -6.640 -5.328 0.853 527 H ARG 64 H ARG 64 -12.044 -6.960 2.780 528 HA ARG 64 HA ARG 64 -12.712 -9.205 4.382 529 HB2 ARG 64 2HB ARG 64 -13.438 -6.913 4.866 530 HB3 ARG 64 1HB ARG 64 -14.335 -6.844 3.356 531 HG2 ARG 64 2HG ARG 64 -15.942 -8.471 4.178 532 HG3 ARG 64 1HG ARG 64 -15.005 -8.710 5.657 533 HD2 ARG 64 2HD ARG 64 -17.032 -7.190 5.888 534 HD3 ARG 64 1HD ARG 64 -15.508 -6.497 6.440 535 HE ARG 64 HE ARG 64 -15.529 -4.997 4.683 536 HH11 ARG 64 1HH1 ARG 64 -18.237 -7.180 4.288 537 HH12 ARG 64 2HH1 ARG 64 -19.033 -6.166 3.130 538 HH21 ARG 64 1HH2 ARG 64 -16.598 -3.673 3.189 539 HH22 ARG 64 2HH2 ARG 64 -18.103 -4.194 2.502 540 H ASP 65 H ASP 65 -13.563 -8.166 1.105 541 HA ASP 65 HA ASP 65 -15.520 -10.142 0.516 542 HB2 ASP 65 2HB ASP 65 -15.363 -8.110 -0.825 543 HB3 ASP 65 1HB ASP 65 -13.705 -8.482 -1.285 544 H GLU 66 H GLU 66 -12.008 -10.082 0.249 545 HA GLU 66 HA GLU 66 -11.686 -12.604 -1.079 546 HB2 GLU 66 2HB GLU 66 -9.783 -10.929 0.609 547 HB3 GLU 66 1HB GLU 66 -9.294 -12.379 -0.259 548 HG2 GLU 66 2HG GLU 66 -10.382 -9.857 -1.538 549 HG3 GLU 66 1HG GLU 66 -8.678 -10.297 -1.425 550 H GLY 67 H GLY 67 -12.268 -11.605 2.190 551 HA2 GLY 67 2HA GLY 67 -12.572 -12.758 4.151 552 HA3 GLY 67 1HA GLY 67 -12.379 -14.264 3.265 553 H LEU 68 H LEU 68 -10.081 -11.597 3.388 554 HA LEU 68 HA LEU 68 -7.857 -13.215 4.075 555 HB2 LEU 68 2HB LEU 68 -8.112 -10.186 4.248 556 HB3 LEU 68 1HB LEU 68 -6.608 -11.092 4.323 557 HG LEU 68 HG LEU 68 -8.432 -10.799 1.902 558 HD11 LEU 68 1HD1 LEU 68 -5.586 -9.856 2.364 559 HD12 LEU 68 2HD1 LEU 68 -7.030 -8.840 2.352 560 HD13 LEU 68 3HD1 LEU 68 -6.522 -9.660 0.878 561 HD21 LEU 68 3HD2 LEU 68 -6.777 -12.143 0.651 562 HD22 LEU 68 1HD2 LEU 68 -7.551 -13.082 1.926 563 HD23 LEU 68 2HD2 LEU 68 -5.909 -12.474 2.153 564 H LYS 69 H LYS 69 -6.780 -13.475 5.985 565 HA LYS 69 HA LYS 69 -8.301 -13.107 8.446 566 HB2 LYS 69 2HB LYS 69 -6.485 -14.491 9.472 567 HB3 LYS 69 1HB LYS 69 -7.271 -15.264 8.099 568 HG2 LYS 69 2HG LYS 69 -5.350 -14.615 6.650 569 HG3 LYS 69 1HG LYS 69 -4.553 -13.905 8.060 570 HD2 LYS 69 2HD LYS 69 -3.680 -16.171 7.564 571 HD3 LYS 69 1HD LYS 69 -4.453 -16.110 9.149 572 HE2 LYS 69 2HE LYS 69 -5.040 -18.175 7.925 573 HE3 LYS 69 1HE LYS 69 -6.465 -17.186 8.231 574 HZ1 LYS 69 3HZ LYS 69 -4.974 -17.217 5.666 575 HZ2 LYS 69 1HZ LYS 69 -6.439 -16.436 5.975 576 HZ3 LYS 69 2HZ LYS 69 -6.363 -18.123 5.973 577 H ARG 70 H ARG 70 -7.127 -12.405 10.412 578 HA ARG 70 HA ARG 70 -6.474 -9.758 10.464 579 HB2 ARG 70 2HB ARG 70 -5.440 -10.191 12.741 580 HB3 ARG 70 1HB ARG 70 -7.036 -10.901 12.510 581 HG2 ARG 70 2HG ARG 70 -6.088 -13.107 12.170 582 HG3 ARG 70 1HG ARG 70 -4.450 -12.459 12.195 583 HD2 ARG 70 2HD ARG 70 -6.342 -12.327 14.556 584 HD3 ARG 70 1HD ARG 70 -5.178 -13.631 14.300 585 HE ARG 70 HE ARG 70 -4.487 -10.783 14.774 586 HH11 ARG 70 1HH1 ARG 70 -3.537 -14.162 14.875 587 HH12 ARG 70 2HH1 ARG 70 -2.079 -13.847 15.753 588 HH21 ARG 70 1HH2 ARG 70 -2.550 -10.391 15.906 589 HH22 ARG 70 2HH2 ARG 70 -1.510 -11.719 16.319 590 H GLY 71 H GLY 71 -4.113 -12.419 10.237 591 HA2 GLY 71 2HA GLY 71 -1.757 -10.894 10.393 592 HA3 GLY 71 1HA GLY 71 -1.903 -12.497 9.691 593 H THR 72 H THR 72 -3.511 -12.099 7.525 594 HA THR 72 HA THR 72 -1.711 -11.160 5.575 595 HB THR 72 HB THR 72 -4.712 -11.620 5.237 596 HG1 THR 72 HG1 THR 72 -2.521 -13.445 5.003 597 HG21 THR 72 3HG2 THR 72 -3.680 -10.482 3.286 598 HG22 THR 72 1HG2 THR 72 -4.115 -12.145 2.881 599 HG23 THR 72 2HG2 THR 72 -2.430 -11.727 3.204 600 H ILE 73 H ILE 73 -4.714 -9.744 6.856 601 HA ILE 73 HA ILE 73 -4.756 -7.387 5.317 602 HB ILE 73 HB ILE 73 -5.933 -7.856 8.097 603 HG12 ILE 73 2HG1 ILE 73 -7.241 -8.043 5.339 604 HG13 ILE 73 1HG1 ILE 73 -6.785 -9.418 6.345 605 HG21 ILE 73 1HG2 ILE 73 -6.578 -5.629 6.114 606 HG22 ILE 73 2HG2 ILE 73 -5.749 -5.431 7.658 607 HG23 ILE 73 3HG2 ILE 73 -7.437 -5.934 7.629 608 HD11 ILE 73 3HD1 ILE 73 -9.160 -9.008 6.467 609 HD12 ILE 73 1HD1 ILE 73 -8.886 -7.350 6.996 610 HD13 ILE 73 2HD1 ILE 73 -8.418 -8.698 8.036 611 H GLU 74 H GLU 74 -3.422 -8.049 8.562 612 HA GLU 74 HA GLU 74 -2.650 -5.461 9.271 613 HB2 GLU 74 2HB GLU 74 -2.713 -7.346 10.875 614 HB3 GLU 74 1HB GLU 74 -1.334 -8.092 10.076 615 HG2 GLU 74 2HG GLU 74 0.110 -6.243 10.756 616 HG3 GLU 74 1HG GLU 74 -1.263 -5.387 11.450 617 H LYS 75 H LYS 75 -0.818 -7.994 7.556 618 HA LYS 75 HA LYS 75 1.668 -6.639 7.442 619 HB2 LYS 75 2HB LYS 75 0.522 -8.884 5.737 620 HB3 LYS 75 1HB LYS 75 2.174 -8.293 5.551 621 HG2 LYS 75 2HG LYS 75 2.666 -8.925 7.893 622 HG3 LYS 75 1HG LYS 75 1.016 -9.527 8.079 623 HD2 LYS 75 2HD LYS 75 3.066 -10.608 6.097 624 HD3 LYS 75 1HD LYS 75 2.683 -11.343 7.656 625 HE2 LYS 75 2HE LYS 75 0.355 -11.735 6.888 626 HE3 LYS 75 1HE LYS 75 0.743 -10.993 5.332 627 HZ1 LYS 75 3HZ LYS 75 2.382 -12.726 4.969 628 HZ2 LYS 75 1HZ LYS 75 0.842 -13.373 5.198 629 HZ3 LYS 75 2HZ LYS 75 1.982 -13.448 6.442 630 H ILE 76 H ILE 76 -0.975 -6.936 5.038 631 HA ILE 76 HA ILE 76 0.435 -5.500 2.995 632 HB ILE 76 HB ILE 76 -1.629 -5.584 1.661 633 HG12 ILE 76 2HG1 ILE 76 -2.966 -6.522 4.242 634 HG13 ILE 76 1HG1 ILE 76 -3.353 -5.077 3.313 635 HG21 ILE 76 1HG2 ILE 76 -1.923 -8.021 1.536 636 HG22 ILE 76 2HG2 ILE 76 -1.202 -8.219 3.134 637 HG23 ILE 76 3HG2 ILE 76 -0.226 -7.626 1.792 638 HD11 ILE 76 3HD1 ILE 76 -3.837 -7.939 2.505 639 HD12 ILE 76 1HD1 ILE 76 -4.172 -6.530 1.488 640 HD13 ILE 76 2HD1 ILE 76 -5.032 -6.750 3.008 641 H ILE 77 H ILE 77 -1.872 -4.522 5.484 642 HA ILE 77 HA ILE 77 -2.245 -1.834 4.624 643 HB ILE 77 HB ILE 77 -2.512 -3.076 7.397 644 HG12 ILE 77 2HG1 ILE 77 -4.194 -3.957 5.874 645 HG13 ILE 77 1HG1 ILE 77 -5.003 -2.819 6.945 646 HG21 ILE 77 1HG2 ILE 77 -3.747 -1.038 8.107 647 HG22 ILE 77 2HG2 ILE 77 -3.337 -0.265 6.573 648 HG23 ILE 77 3HG2 ILE 77 -2.063 -0.690 7.718 649 HD11 ILE 77 3HD1 ILE 77 -5.817 -2.573 4.711 650 HD12 ILE 77 1HD1 ILE 77 -4.188 -2.352 4.077 651 HD13 ILE 77 2HD1 ILE 77 -4.898 -1.134 5.140 652 H LYS 78 H LYS 78 0.163 -3.399 6.747 653 HA LYS 78 HA LYS 78 1.533 -0.998 7.482 654 HB2 LYS 78 2HB LYS 78 2.503 -3.886 7.510 655 HB3 LYS 78 1HB LYS 78 3.446 -2.535 8.140 656 HG2 LYS 78 2HG LYS 78 0.762 -3.507 9.167 657 HG3 LYS 78 1HG LYS 78 2.332 -3.715 9.952 658 HD2 LYS 78 2HD LYS 78 2.488 -1.220 10.204 659 HD3 LYS 78 1HD LYS 78 0.880 -1.066 9.485 660 HE2 LYS 78 2HE LYS 78 0.720 -0.936 11.920 661 HE3 LYS 78 1HE LYS 78 -0.054 -2.420 11.359 662 HZ1 LYS 78 3HZ LYS 78 1.945 -3.638 11.960 663 HZ2 LYS 78 1HZ LYS 78 1.320 -2.818 13.295 664 HZ3 LYS 78 2HZ LYS 78 2.685 -2.221 12.501 665 H VAL 79 H VAL 79 1.785 -3.154 4.698 666 HA VAL 79 HA VAL 79 4.217 -2.154 3.617 667 HB VAL 79 HB VAL 79 1.863 -3.414 2.109 668 HG11 VAL 79 1HG1 VAL 79 3.373 -2.190 0.586 669 HG12 VAL 79 2HG1 VAL 79 3.502 -3.929 0.328 670 HG13 VAL 79 3HG1 VAL 79 4.760 -3.077 1.229 671 HG21 VAL 79 3HG2 VAL 79 2.762 -4.939 3.826 672 HG22 VAL 79 1HG2 VAL 79 4.390 -4.736 3.185 673 HG23 VAL 79 2HG2 VAL 79 3.147 -5.532 2.215 674 H ILE 80 H ILE 80 0.784 -1.263 3.080 675 HA ILE 80 HA ILE 80 1.205 0.882 1.246 676 HB ILE 80 HB ILE 80 -1.099 0.460 3.213 677 HG12 ILE 80 2HG1 ILE 80 -0.880 -0.297 0.265 678 HG13 ILE 80 1HG1 ILE 80 -0.849 -1.422 1.620 679 HG21 ILE 80 1HG2 ILE 80 -1.024 2.280 0.765 680 HG22 ILE 80 2HG2 ILE 80 -1.058 2.810 2.447 681 HG23 ILE 80 3HG2 ILE 80 -2.446 1.964 1.769 682 HD11 ILE 80 3HD1 ILE 80 -3.004 -1.425 0.531 683 HD12 ILE 80 1HD1 ILE 80 -3.180 0.308 0.795 684 HD13 ILE 80 2HD1 ILE 80 -3.160 -0.799 2.173 685 H ARG 81 H ARG 81 0.924 0.730 4.733 686 HA ARG 81 HA ARG 81 0.785 3.517 5.267 687 HB2 ARG 81 2HB ARG 81 -0.101 1.562 6.668 688 HB3 ARG 81 1HB ARG 81 1.549 1.310 7.212 689 HG2 ARG 81 2HG ARG 81 1.563 3.473 8.310 690 HG3 ARG 81 1HG ARG 81 -0.021 3.871 7.636 691 HD2 ARG 81 2HD ARG 81 -1.048 2.045 8.916 692 HD3 ARG 81 1HD ARG 81 0.532 1.576 9.549 693 HE ARG 81 HE ARG 81 0.485 3.998 10.499 694 HH11 ARG 81 1HH1 ARG 81 -2.407 2.019 10.155 695 HH12 ARG 81 2HH1 ARG 81 -3.089 2.548 11.656 696 HH21 ARG 81 1HH2 ARG 81 -0.460 4.723 12.443 697 HH22 ARG 81 2HH2 ARG 81 -2.005 4.104 12.933 698 H ASN 82 H ASN 82 3.407 1.196 4.981 699 HA ASN 82 HA ASN 82 5.479 2.992 5.913 700 HB2 ASN 82 2HB ASN 82 5.644 0.504 6.165 701 HB3 ASN 82 1HB ASN 82 5.744 0.342 4.417 702 HD21 ASN 82 1HD2 ASN 82 7.419 1.285 7.310 703 HD22 ASN 82 2HD2 ASN 82 8.987 1.431 6.603 704 H SER 83 H SER 83 4.220 1.902 2.748 705 HA SER 83 HA SER 83 6.278 3.073 1.157 706 HB2 SER 83 2HB SER 83 4.617 2.795 -0.748 707 HB3 SER 83 1HB SER 83 4.936 1.326 0.172 708 HG SER 83 HG SER 83 2.652 2.958 0.168 709 H LEU 84 H LEU 84 3.106 4.231 2.226 710 HA LEU 84 HA LEU 84 3.124 6.722 0.913 711 HB2 LEU 84 2HB LEU 84 1.728 5.817 3.442 712 HB3 LEU 84 1HB LEU 84 1.449 7.382 2.698 713 HG LEU 84 HG LEU 84 0.819 4.684 1.418 714 HD11 LEU 84 1HD1 LEU 84 -0.716 5.213 3.260 715 HD12 LEU 84 2HD1 LEU 84 -1.537 5.294 1.705 716 HD13 LEU 84 3HD1 LEU 84 -1.073 6.784 2.533 717 HD21 LEU 84 3HD2 LEU 84 0.280 7.487 0.381 718 HD22 LEU 84 1HD2 LEU 84 -0.293 5.983 -0.350 719 HD23 LEU 84 2HD2 LEU 84 1.432 6.327 -0.285 720 H GLU 85 H GLU 85 4.596 5.662 3.973 721 HA GLU 85 HA GLU 85 5.388 8.184 4.999 722 HB2 GLU 85 2HB GLU 85 6.663 5.441 5.298 723 HB3 GLU 85 1HB GLU 85 7.297 6.861 6.120 724 HG2 GLU 85 2HG GLU 85 4.511 5.748 6.460 725 HG3 GLU 85 1HG GLU 85 5.853 5.447 7.550 726 H HIS 86 H HIS 86 6.895 6.012 2.650 727 HA HIS 86 HA HIS 86 9.330 7.480 2.342 728 HB2 HIS 86 2HB HIS 86 9.154 5.092 1.756 729 HB3 HIS 86 1HB HIS 86 7.977 5.461 0.506 730 HD1 HIS 86 HD1 HIS 86 11.665 5.743 1.258 731 HD2 HIS 86 HD2 HIS 86 9.069 6.234 -1.946 732 HE1 HIS 86 HE1 HIS 86 13.124 5.962 -0.765 733 HE2 HIS 86 HE2 HIS 86 11.541 6.262 -2.696 734 H ALA 87 H ALA 87 6.130 7.680 0.896 735 HA ALA 87 HA ALA 87 6.771 9.552 -1.173 736 HB1 ALA 87 3HB ALA 87 4.738 8.166 -1.250 737 HB2 ALA 87 1HB ALA 87 4.333 9.884 -1.333 738 HB3 ALA 87 2HB ALA 87 4.107 8.994 0.174 739 H ILE 88 H ILE 88 5.773 9.868 2.226 740 HA ILE 88 HA ILE 88 5.632 12.715 2.334 741 HB ILE 88 HB ILE 88 6.282 10.726 4.559 742 HG12 ILE 88 2HG1 ILE 88 3.596 12.001 3.842 743 HG13 ILE 88 1HG1 ILE 88 4.054 10.348 3.460 744 HG21 ILE 88 1HG2 ILE 88 5.389 13.627 4.820 745 HG22 ILE 88 2HG2 ILE 88 6.989 12.997 5.211 746 HG23 ILE 88 3HG2 ILE 88 5.590 12.492 6.157 747 HD11 ILE 88 3HD1 ILE 88 4.190 9.856 5.868 748 HD12 ILE 88 1HD1 ILE 88 2.592 10.408 5.369 749 HD13 ILE 88 2HD1 ILE 88 3.679 11.511 6.213 750 H ASP 89 H ASP 89 8.233 10.385 2.741 751 HA ASP 89 HA ASP 89 10.322 12.146 3.489 752 HB2 ASP 89 2HB ASP 89 10.414 9.725 3.913 753 HB3 ASP 89 1HB ASP 89 10.384 9.392 2.184 754 H LEU 90 H LEU 90 9.126 11.017 0.352 755 HA LEU 90 HA LEU 90 11.126 12.427 -1.207 756 HB2 LEU 90 2HB LEU 90 8.575 10.971 -1.998 757 HB3 LEU 90 1HB LEU 90 9.630 11.759 -3.161 758 HG LEU 90 HG LEU 90 10.355 9.367 -1.419 759 HD11 LEU 90 1HD1 LEU 90 9.968 9.569 -4.427 760 HD12 LEU 90 2HD1 LEU 90 8.873 8.786 -3.284 761 HD13 LEU 90 3HD1 LEU 90 10.488 8.130 -3.540 762 HD21 LEU 90 3HD2 LEU 90 12.080 10.858 -3.431 763 HD22 LEU 90 1HD2 LEU 90 12.507 9.341 -2.634 764 HD23 LEU 90 2HD2 LEU 90 12.316 10.807 -1.681 765 H GLU 91 H GLU 91 8.386 13.384 0.461 766 HA GLU 91 HA GLU 91 7.199 15.290 0.651 767 HB2 GLU 91 2HB GLU 91 9.205 16.455 -1.331 768 HB3 GLU 91 1HB GLU 91 8.085 17.400 -0.351 769 HG2 GLU 91 2HG GLU 91 9.190 16.677 1.698 770 HG3 GLU 91 1HG GLU 91 10.252 15.600 0.790 771 H LEU 92 H LEU 92 6.736 13.266 -1.526 772 HA LEU 92 HA LEU 92 5.203 14.474 -3.602 773 HB2 LEU 92 2HB LEU 92 5.056 11.698 -2.354 774 HB3 LEU 92 1HB LEU 92 4.228 12.165 -3.834 775 HG LEU 92 HG LEU 92 7.262 12.125 -3.496 776 HD11 LEU 92 1HD1 LEU 92 5.488 10.110 -4.921 777 HD12 LEU 92 2HD1 LEU 92 6.340 9.848 -3.397 778 HD13 LEU 92 3HD1 LEU 92 7.257 10.103 -4.880 779 HD21 LEU 92 3HD2 LEU 92 7.326 12.370 -5.949 780 HD22 LEU 92 1HD2 LEU 92 6.542 13.748 -5.180 781 HD23 LEU 92 2HD2 LEU 92 5.566 12.518 -5.987 782 H ILE 93 H ILE 93 4.505 13.209 -0.398 783 HA ILE 93 HA ILE 93 2.074 14.860 -0.177 784 HB ILE 93 HB ILE 93 0.950 13.079 1.223 785 HG12 ILE 93 2HG1 ILE 93 3.066 11.187 0.083 786 HG13 ILE 93 1HG1 ILE 93 3.001 11.733 1.754 787 HG21 ILE 93 1HG2 ILE 93 0.078 11.728 -0.655 788 HG22 ILE 93 2HG2 ILE 93 1.416 12.265 -1.671 789 HG23 ILE 93 3HG2 ILE 93 0.223 13.433 -1.098 790 HD11 ILE 93 3HD1 ILE 93 2.135 9.480 1.514 791 HD12 ILE 93 1HD1 ILE 93 0.921 10.039 0.364 792 HD13 ILE 93 2HD1 ILE 93 0.861 10.577 2.048 793 H THR 94 H THR 94 1.507 14.778 2.396 794 HA THR 94 HA THR 94 4.054 15.065 3.906 795 HB THR 94 HB THR 94 3.120 17.296 3.250 796 HG1 THR 94 HG1 THR 94 3.940 17.943 5.073 797 HG21 THR 94 3HG2 THR 94 0.751 16.546 5.008 798 HG22 THR 94 1HG2 THR 94 0.704 16.736 3.252 799 HG23 THR 94 2HG2 THR 94 1.042 18.128 4.284 800 H LYS 95 H LYS 95 1.065 13.520 3.701 801 HA LYS 95 HA LYS 95 1.140 12.523 6.432 802 HB2 LYS 95 2HB LYS 95 -0.190 14.603 6.630 803 HB3 LYS 95 1HB LYS 95 -1.223 14.093 5.301 804 HG2 LYS 95 2HG LYS 95 -1.947 12.127 6.737 805 HG3 LYS 95 1HG LYS 95 -1.051 12.859 8.072 806 HD2 LYS 95 2HD LYS 95 -3.440 13.436 8.226 807 HD3 LYS 95 1HD LYS 95 -2.481 14.889 7.912 808 HE2 LYS 95 2HE LYS 95 -3.083 14.734 5.494 809 HE3 LYS 95 1HE LYS 95 -4.065 13.305 5.845 810 HZ1 LYS 95 3HZ LYS 95 -4.496 16.061 6.854 811 HZ2 LYS 95 1HZ LYS 95 -5.408 14.717 7.310 812 HZ3 LYS 95 2HZ LYS 95 -5.429 15.244 5.706 813 H ASN 96 H ASN 96 0.574 10.381 6.359 814 HA ASN 96 HA ASN 96 -0.473 9.286 3.860 815 HB2 ASN 96 2HB ASN 96 0.347 7.189 4.496 816 HB3 ASN 96 1HB ASN 96 1.553 8.292 5.121 817 HD21 ASN 96 1HD2 ASN 96 1.873 8.380 7.340 818 HD22 ASN 96 2HD2 ASN 96 1.165 7.245 8.435 819 H VAL 97 H VAL 97 -2.410 8.299 3.608 820 HA VAL 97 HA VAL 97 -4.476 8.767 5.623 821 HB VAL 97 HB VAL 97 -6.077 8.060 3.824 822 HG11 VAL 97 1HG1 VAL 97 -5.759 10.039 2.371 823 HG12 VAL 97 2HG1 VAL 97 -4.107 10.222 2.966 824 HG13 VAL 97 3HG1 VAL 97 -5.473 10.445 4.063 825 HG21 VAL 97 3HG2 VAL 97 -4.622 6.465 2.607 826 HG22 VAL 97 1HG2 VAL 97 -3.579 7.787 2.093 827 HG23 VAL 97 2HG2 VAL 97 -5.243 7.698 1.508 828 H ALA 98 H ALA 98 -2.384 6.225 4.931 829 HA ALA 98 HA ALA 98 -4.184 4.006 5.514 830 HB1 ALA 98 3HB ALA 98 -1.156 4.079 5.314 831 HB2 ALA 98 1HB ALA 98 -2.271 3.678 4.004 832 HB3 ALA 98 2HB ALA 98 -2.153 2.624 5.415 833 H ALA 99 H ALA 99 -2.568 6.376 7.291 834 HA ALA 99 HA ALA 99 -2.250 5.059 9.799 835 HB1 ALA 99 3HB ALA 99 -1.081 7.150 9.278 836 HB2 ALA 99 1HB ALA 99 -2.087 7.347 10.719 837 HB3 ALA 99 2HB ALA 99 -2.624 8.001 9.167 838 H LYS 100 H LYS 100 -4.935 6.416 8.054 839 HA LYS 100 HA LYS 100 -6.823 6.405 10.258 840 HB2 LYS 100 2HB LYS 100 -7.304 6.584 7.245 841 HB3 LYS 100 1HB LYS 100 -8.508 6.893 8.500 842 HG2 LYS 100 2HG LYS 100 -5.979 8.502 8.009 843 HG3 LYS 100 1HG LYS 100 -7.623 8.992 7.579 844 HD2 LYS 100 2HD LYS 100 -8.254 9.089 9.940 845 HD3 LYS 100 1HD LYS 100 -6.687 8.444 10.430 846 HE2 LYS 100 2HE LYS 100 -5.593 10.499 9.544 847 HE3 LYS 100 1HE LYS 100 -7.187 11.144 9.129 848 HZ1 LYS 100 3HZ LYS 100 -6.368 10.343 11.862 849 HZ2 LYS 100 1HZ LYS 100 -7.797 11.126 11.415 850 HZ3 LYS 100 2HZ LYS 100 -6.318 11.927 11.275 851 H THR 101 H THR 101 -5.571 4.179 7.932 852 HA THR 101 HA THR 101 -7.681 2.198 8.270 853 HB THR 101 HB THR 101 -5.050 1.853 6.759 854 HG1 THR 101 HG1 THR 101 -5.930 2.877 5.095 855 HG21 THR 101 3HG2 THR 101 -6.336 0.191 5.455 856 HG22 THR 101 1HG2 THR 101 -7.764 0.497 6.449 857 HG23 THR 101 2HG2 THR 101 -6.329 -0.242 7.164 858 H LYS 102 H LYS 102 -7.532 1.637 10.423 859 HA LYS 102 HA LYS 102 -5.103 0.301 11.405 860 HB2 LYS 102 2HB LYS 102 -6.298 0.163 13.562 861 HB3 LYS 102 1HB LYS 102 -6.273 1.819 12.967 862 HG2 LYS 102 2HG LYS 102 -8.604 1.564 12.163 863 HG3 LYS 102 1HG LYS 102 -8.636 -0.084 12.797 864 HD2 LYS 102 2HD LYS 102 -8.293 0.798 15.095 865 HD3 LYS 102 1HD LYS 102 -8.262 2.445 14.453 866 HE2 LYS 102 2HE LYS 102 -10.619 0.525 14.340 867 HE3 LYS 102 1HE LYS 102 -10.469 1.930 15.396 868 HZ1 LYS 102 3HZ LYS 102 -10.464 3.355 13.472 869 HZ2 LYS 102 1HZ LYS 102 -11.831 2.368 13.448 870 HZ3 LYS 102 2HZ LYS 102 -10.530 2.026 12.430 871 H LEU 103 H LEU 103 -5.337 -1.888 12.290 872 HA LEU 103 HA LEU 103 -6.728 -3.725 10.608 873 HB2 LEU 103 2HB LEU 103 -4.571 -4.242 11.696 874 HB3 LEU 103 1HB LEU 103 -5.326 -4.135 13.274 875 HG LEU 103 HG LEU 103 -6.709 -6.153 12.742 876 HD11 LEU 103 1HD1 LEU 103 -6.203 -7.540 10.785 877 HD12 LEU 103 2HD1 LEU 103 -5.083 -6.316 10.182 878 HD13 LEU 103 3HD1 LEU 103 -6.808 -5.961 10.294 879 HD21 LEU 103 3HD2 LEU 103 -4.584 -6.419 13.941 880 HD22 LEU 103 1HD2 LEU 103 -3.719 -6.581 12.408 881 HD23 LEU 103 2HD2 LEU 103 -4.898 -7.802 12.897 882 HA PRO 104 HA PRO 104 -10.802 -3.465 12.723 883 HB2 PRO 104 2HB PRO 104 -11.166 -6.103 11.294 884 HB3 PRO 104 1HB PRO 104 -12.237 -4.693 11.346 885 HG2 PRO 104 2HG PRO 104 -10.786 -5.173 9.170 886 HG3 PRO 104 1HG PRO 104 -10.972 -3.510 9.767 887 HD2 PRO 104 2HD PRO 104 -8.612 -5.370 10.052 888 HD3 PRO 104 1HD PRO 104 -8.638 -3.627 9.703 889 H LYS 105 H LYS 105 -12.175 -4.936 14.108 890 HA LYS 105 HA LYS 105 -10.553 -6.315 16.045 891 HB2 LYS 105 2HB LYS 105 -12.724 -6.733 17.254 892 HB3 LYS 105 1HB LYS 105 -12.324 -5.045 16.982 893 HG2 LYS 105 2HG LYS 105 -13.949 -4.939 15.149 894 HG3 LYS 105 1HG LYS 105 -14.328 -6.653 15.368 895 HD2 LYS 105 2HD LYS 105 -15.196 -6.194 17.628 896 HD3 LYS 105 1HD LYS 105 -14.746 -4.490 17.480 897 HE2 LYS 105 2HE LYS 105 -17.165 -4.869 17.093 898 HE3 LYS 105 1HE LYS 105 -16.360 -4.183 15.685 899 HZ1 LYS 105 3HZ LYS 105 -16.302 -6.395 14.697 900 HZ2 LYS 105 1HZ LYS 105 -17.886 -5.925 15.059 901 HZ3 LYS 105 2HZ LYS 105 -17.090 -7.038 16.046 902 H ALA 106 H ALA 106 -9.705 -7.781 14.582 903 HA ALA 106 HA ALA 106 -11.034 -10.399 14.518 904 HB1 ALA 106 3HB ALA 106 -10.115 -10.809 12.234 905 HB2 ALA 106 1HB ALA 106 -9.511 -9.148 12.182 906 HB3 ALA 106 2HB ALA 106 -11.246 -9.456 12.231 907 H ASP 107 H ASP 107 -8.548 -8.409 15.410 908 HA ASP 107 HA ASP 107 -6.282 -10.204 15.244 909 HB2 ASP 107 2HB ASP 107 -5.915 -7.847 14.861 910 HB3 ASP 107 1HB ASP 107 -6.731 -7.410 16.353 911 H LYS 108 H LYS 108 -7.305 -8.300 18.075 912 HA LYS 108 HA LYS 108 -7.487 -10.753 19.735 913 HB2 LYS 108 2HB LYS 108 -6.482 -7.987 20.580 914 HB3 LYS 108 1HB LYS 108 -6.686 -9.367 21.657 915 HG2 LYS 108 2HG LYS 108 -4.933 -10.586 20.364 916 HG3 LYS 108 1HG LYS 108 -4.704 -9.140 19.371 917 HD2 LYS 108 2HD LYS 108 -4.307 -9.254 22.397 918 HD3 LYS 108 1HD LYS 108 -3.005 -9.386 21.214 919 HE2 LYS 108 2HE LYS 108 -4.833 -6.970 21.492 920 HE3 LYS 108 1HE LYS 108 -3.236 -7.105 22.224 921 HZ1 LYS 108 3HZ LYS 108 -2.320 -7.382 19.986 922 HZ2 LYS 108 1HZ LYS 108 -3.097 -5.899 20.194 923 HZ3 LYS 108 2HZ LYS 108 -3.857 -7.132 19.335 924 H GLU 109 H GLU 109 -9.006 -10.645 21.446 925 HA GLU 109 HA GLU 109 -11.422 -9.138 20.971 926 HB2 GLU 109 2HB GLU 109 -10.665 -10.965 23.295 927 HB3 GLU 109 1HB GLU 109 -12.290 -10.405 22.906 928 HG2 GLU 109 2HG GLU 109 -12.368 -11.712 20.891 929 HG3 GLU 109 1HG GLU 109 -10.642 -12.066 20.967 930 H GLU 110 H GLU 110 -10.771 -6.994 21.197 931 HA GLU 110 HA GLU 110 -9.316 -6.136 23.608 932 HB2 GLU 110 2HB GLU 110 -9.694 -4.831 20.883 933 HB3 GLU 110 1HB GLU 110 -8.820 -4.082 22.222 934 HG2 GLU 110 2HG GLU 110 -7.138 -5.789 22.207 935 HG3 GLU 110 1HG GLU 110 -8.065 -6.796 21.101 936 H LEU 111 H LEU 111 -12.298 -6.595 23.375 937 HA LEU 111 HA LEU 111 -14.168 -5.848 24.380 938 HB2 LEU 111 2HB LEU 111 -12.225 -4.111 25.952 939 HB3 LEU 111 1HB LEU 111 -13.859 -4.533 26.450 940 HG LEU 111 HG LEU 111 -11.546 -6.501 26.132 941 HD11 LEU 111 1HD1 LEU 111 -11.266 -5.061 28.099 942 HD12 LEU 111 2HD1 LEU 111 -11.611 -6.727 28.556 943 HD13 LEU 111 3HD1 LEU 111 -12.881 -5.504 28.667 944 HD21 LEU 111 3HD2 LEU 111 -14.386 -6.998 27.089 945 HD22 LEU 111 1HD2 LEU 111 -13.065 -8.169 27.128 946 HD23 LEU 111 2HD2 LEU 111 -13.672 -7.582 25.585 947 H GLU 112 H GLU 112 -13.563 -4.573 21.937 948 HA GLU 112 HA GLU 112 -14.286 -1.768 22.081 949 HB2 GLU 112 2HB GLU 112 -14.299 -3.586 19.623 950 HB3 GLU 112 1HB GLU 112 -14.304 -1.823 19.636 951 HG2 GLU 112 2HG GLU 112 -12.044 -1.872 20.685 952 HG3 GLU 112 1HG GLU 112 -12.033 -3.628 20.530 953 H HIS 113 H HIS 113 -16.140 -2.324 23.491 954 HA HIS 113 HA HIS 113 -18.443 -3.715 22.387 955 HB2 HIS 113 2HB HIS 113 -17.698 -4.057 24.740 956 HB3 HIS 113 1HB HIS 113 -17.997 -2.360 25.087 957 HD1 HIS 113 HD1 HIS 113 -19.912 -5.500 24.114 958 HD2 HIS 113 HD2 HIS 113 -20.561 -1.839 25.964 959 HE1 HIS 113 HE1 HIS 113 -22.256 -5.608 25.004 960 HE2 HIS 113 HE2 HIS 113 -22.661 -3.331 26.003 961 H HIS 114 H HIS 114 -17.296 -0.638 22.066 962 HA HIS 114 HA HIS 114 -19.695 0.906 22.370 963 HB2 HIS 114 2HB HIS 114 -17.081 1.566 20.946 964 HB3 HIS 114 1HB HIS 114 -18.376 2.721 21.245 965 HD1 HIS 114 HD1 HIS 114 -18.003 4.116 23.267 966 HD2 HIS 114 HD2 HIS 114 -16.108 0.432 23.570 967 HE1 HIS 114 HE1 HIS 114 -16.755 4.176 25.438 968 HE2 HIS 114 HE2 HIS 114 -15.536 1.984 25.550 969 H HIS 115 H HIS 115 -21.371 0.787 21.037 970 HA HIS 115 HA HIS 115 -21.219 -0.625 18.500 971 HB2 HIS 115 2HB HIS 115 -23.769 -0.362 18.566 972 HB3 HIS 115 1HB HIS 115 -23.054 -1.283 19.878 973 HD1 HIS 115 HD1 HIS 115 -23.961 -0.708 22.108 974 HD2 HIS 115 HD2 HIS 115 -24.295 2.501 19.483 975 HE1 HIS 115 HE1 HIS 115 -25.196 1.071 23.376 976 HE2 HIS 115 HE2 HIS 115 -25.250 3.050 21.822 977 H HIS 116 H HIS 116 -19.775 1.539 18.102 978 HA HIS 116 HA HIS 116 -20.988 2.768 15.804 979 HB2 HIS 116 2HB HIS 116 -20.817 5.091 16.463 980 HB3 HIS 116 1HB HIS 116 -21.718 4.291 17.739 981 HD1 HIS 116 HD1 HIS 116 -18.816 6.404 17.165 982 HD2 HIS 116 HD2 HIS 116 -20.035 3.748 20.121 983 HE1 HIS 116 HE1 HIS 116 -17.367 6.901 19.155 984 HE2 HIS 116 HE2 HIS 116 -18.326 5.485 20.993 985 H HIS 117 H HIS 117 -18.618 1.118 16.935 986 HA HIS 117 HA HIS 117 -16.256 2.671 16.893 987 HB2 HIS 117 2HB HIS 117 -16.448 0.506 18.128 988 HB3 HIS 117 1HB HIS 117 -16.517 -0.357 16.594 989 HD1 HIS 117 HD1 HIS 117 -14.181 1.316 18.933 990 HD2 HIS 117 HD2 HIS 117 -14.003 -0.502 15.216 991 HE1 HIS 117 HE1 HIS 117 -11.750 0.978 18.481 992 HE2 HIS 117 HE2 HIS 117 -11.689 -0.384 16.372 993 H HIS 118 H HIS 118 -16.170 3.816 15.016 994 HA HIS 118 HA HIS 118 -16.093 2.617 12.393 995 HB2 HIS 118 2HB HIS 118 -15.436 5.000 11.686 996 HB3 HIS 118 1HB HIS 118 -16.993 4.830 12.471 997 HD1 HIS 118 HD1 HIS 118 -13.670 6.432 12.861 998 HD2 HIS 118 HD2 HIS 118 -17.161 6.016 15.064 999 HE1 HIS 118 HE1 HIS 118 -13.494 8.113 14.716 1000 HE2 HIS 118 HE2 HIS 118 -15.544 7.734 16.122 Start of MODEL 11 1 H1 MET 1 1H MET 1 9.446 15.895 -3.042 2 H2 MET 1 2H MET 1 9.258 17.575 -3.041 3 H3 MET 1 3H MET 1 10.683 16.885 -2.445 4 HA MET 1 HA MET 1 10.993 17.853 -4.614 5 HB2 MET 1 2HB MET 1 12.071 15.887 -5.681 6 HB3 MET 1 1HB MET 1 12.414 15.957 -3.960 7 HG2 MET 1 2HG MET 1 10.798 14.185 -3.534 8 HG3 MET 1 1HG MET 1 10.348 14.156 -5.241 9 HE1 MET 1 3HE MET 1 12.183 10.776 -5.092 10 HE2 MET 1 1HE MET 1 10.767 11.656 -5.664 11 HE3 MET 1 2HE MET 1 11.046 11.459 -3.932 12 H GLU 2 H GLU 2 9.693 18.657 -6.133 13 HA GLU 2 HA GLU 2 8.319 18.898 -7.887 14 HB2 GLU 2 2HB GLU 2 8.725 15.895 -8.174 15 HB3 GLU 2 1HB GLU 2 7.866 16.866 -9.366 16 HG2 GLU 2 2HG GLU 2 10.765 17.244 -8.548 17 HG3 GLU 2 1HG GLU 2 10.212 16.436 -10.014 18 HA PRO 3 HA PRO 3 4.020 18.217 -6.621 19 HB2 PRO 3 2HB PRO 3 2.684 18.260 -9.047 20 HB3 PRO 3 1HB PRO 3 3.287 19.718 -8.245 21 HG2 PRO 3 2HG PRO 3 4.572 18.098 -10.448 22 HG3 PRO 3 1HG PRO 3 4.372 19.862 -10.334 23 HD2 PRO 3 2HD PRO 3 6.720 18.696 -9.703 24 HD3 PRO 3 1HD PRO 3 6.125 20.087 -8.762 25 H SER 4 H SER 4 2.107 16.711 -7.168 26 HA SER 4 HA SER 4 3.029 14.012 -6.922 27 HB2 SER 4 2HB SER 4 0.149 14.969 -7.203 28 HB3 SER 4 1HB SER 4 0.713 13.475 -6.449 29 HG SER 4 HG SER 4 1.087 14.544 -4.679 30 H LYS 5 H LYS 5 4.093 13.802 -8.966 31 HA LYS 5 HA LYS 5 2.550 13.785 -11.447 32 HB2 LYS 5 2HB LYS 5 5.519 13.373 -10.865 33 HB3 LYS 5 1HB LYS 5 4.830 13.317 -12.483 34 HG2 LYS 5 2HG LYS 5 4.376 15.798 -10.838 35 HG3 LYS 5 1HG LYS 5 5.984 15.523 -11.501 36 HD2 LYS 5 2HD LYS 5 4.701 16.945 -13.013 37 HD3 LYS 5 1HD LYS 5 5.025 15.398 -13.789 38 HE2 LYS 5 2HE LYS 5 2.713 14.676 -13.300 39 HE3 LYS 5 1HE LYS 5 2.393 16.218 -12.507 40 HZ1 LYS 5 3HZ LYS 5 2.785 17.333 -14.599 41 HZ2 LYS 5 1HZ LYS 5 1.567 16.172 -14.763 42 HZ3 LYS 5 2HZ LYS 5 3.118 15.854 -15.356 43 H LEU 6 H LEU 6 4.142 11.596 -9.239 44 HA LEU 6 HA LEU 6 4.004 9.323 -11.017 45 HB2 LEU 6 2HB LEU 6 5.916 9.864 -9.428 46 HB3 LEU 6 1HB LEU 6 4.864 9.397 -8.106 47 HG LEU 6 HG LEU 6 4.787 7.085 -8.934 48 HD11 LEU 6 1HD1 LEU 6 6.548 8.038 -11.216 49 HD12 LEU 6 2HD1 LEU 6 4.886 7.454 -11.340 50 HD13 LEU 6 3HD1 LEU 6 6.168 6.354 -10.844 51 HD21 LEU 6 3HD2 LEU 6 6.638 7.727 -7.430 52 HD22 LEU 6 1HD2 LEU 6 7.645 8.121 -8.827 53 HD23 LEU 6 2HD2 LEU 6 7.126 6.456 -8.546 54 H SER 7 H SER 7 2.378 7.957 -11.137 55 HA SER 7 HA SER 7 0.057 7.883 -9.482 56 HB2 SER 7 2HB SER 7 1.053 5.709 -11.400 57 HB3 SER 7 1HB SER 7 -0.612 5.994 -10.877 58 HG SER 7 HG SER 7 -0.791 7.570 -12.277 59 H TYR 8 H TYR 8 -0.560 6.112 -8.019 60 HA TYR 8 HA TYR 8 1.510 5.572 -6.175 61 HB2 TYR 8 2HB TYR 8 -0.846 5.883 -5.496 62 HB3 TYR 8 1HB TYR 8 -1.278 4.364 -6.278 63 HD1 TYR 8 HD1 TYR 8 1.489 5.404 -3.940 64 HD2 TYR 8 HD2 TYR 8 -1.732 2.705 -4.645 65 HE1 TYR 8 HE1 TYR 8 2.026 4.224 -1.853 66 HE2 TYR 8 HE2 TYR 8 -1.203 1.537 -2.553 67 HH TYR 8 HH TYR 8 0.975 2.775 -0.236 68 H GLY 9 H GLY 9 -0.027 3.508 -8.631 69 HA2 GLY 9 2HA GLY 9 1.104 1.020 -7.884 70 HA3 GLY 9 1HA GLY 9 0.548 1.457 -9.495 71 H GLU 10 H GLU 10 2.237 3.560 -10.088 72 HA GLU 10 HA GLU 10 4.688 2.273 -10.829 73 HB2 GLU 10 2HB GLU 10 3.903 5.214 -11.007 74 HB3 GLU 10 1HB GLU 10 5.288 4.475 -11.809 75 HG2 GLU 10 2HG GLU 10 2.365 3.891 -12.355 76 HG3 GLU 10 1HG GLU 10 3.451 4.833 -13.374 77 H TYR 11 H TYR 11 3.676 4.352 -8.209 78 HA TYR 11 HA TYR 11 6.283 5.071 -7.281 79 HB2 TYR 11 2HB TYR 11 4.364 6.477 -6.665 80 HB3 TYR 11 1HB TYR 11 3.595 5.125 -5.841 81 HD1 TYR 11 HD1 TYR 11 6.810 7.076 -5.783 82 HD2 TYR 11 HD2 TYR 11 3.905 4.947 -3.486 83 HE1 TYR 11 HE1 TYR 11 8.027 7.631 -3.736 84 HE2 TYR 11 HE2 TYR 11 5.124 5.514 -1.435 85 HH TYR 11 HH TYR 11 7.570 7.844 -1.311 86 H LEU 12 H LEU 12 4.101 2.371 -6.752 87 HA LEU 12 HA LEU 12 5.485 1.171 -4.566 88 HB2 LEU 12 2HB LEU 12 3.611 0.018 -6.662 89 HB3 LEU 12 1HB LEU 12 4.215 -0.909 -5.292 90 HG LEU 12 HG LEU 12 2.512 1.604 -5.068 91 HD11 LEU 12 1HD1 LEU 12 1.686 -1.283 -4.692 92 HD12 LEU 12 2HD1 LEU 12 1.221 -0.224 -6.028 93 HD13 LEU 12 3HD1 LEU 12 0.683 0.140 -4.391 94 HD21 LEU 12 3HD2 LEU 12 3.986 1.361 -3.142 95 HD22 LEU 12 1HD2 LEU 12 3.470 -0.315 -2.916 96 HD23 LEU 12 2HD2 LEU 12 2.326 1.008 -2.676 97 H GLU 13 H GLU 13 5.957 1.193 -8.032 98 HA GLU 13 HA GLU 13 7.801 -0.990 -8.177 99 HB2 GLU 13 2HB GLU 13 7.480 1.370 -10.080 100 HB3 GLU 13 1HB GLU 13 8.339 -0.131 -10.432 101 HG2 GLU 13 2HG GLU 13 5.358 0.204 -9.965 102 HG3 GLU 13 1HG GLU 13 6.154 -0.125 -11.499 103 H SER 14 H SER 14 8.200 2.556 -8.026 104 HA SER 14 HA SER 14 11.049 2.563 -7.975 105 HB2 SER 14 2HB SER 14 10.741 4.962 -7.198 106 HB3 SER 14 1HB SER 14 9.876 4.561 -8.682 107 HG SER 14 HG SER 14 8.838 4.885 -6.067 108 H TRP 15 H TRP 15 8.590 2.659 -5.439 109 HA TRP 15 HA TRP 15 10.268 2.972 -3.190 110 HB2 TRP 15 2HB TRP 15 7.895 3.447 -2.962 111 HB3 TRP 15 1HB TRP 15 7.462 1.811 -3.445 112 HD1 TRP 15 HD1 TRP 15 9.067 3.691 -0.445 113 HE1 TRP 15 HE1 TRP 15 8.707 2.275 1.671 114 HE3 TRP 15 HE3 TRP 15 6.968 -0.473 -2.575 115 HZ2 TRP 15 HZ2 TRP 15 7.701 -0.259 2.353 116 HZ3 TRP 15 HZ3 TRP 15 6.342 -2.356 -1.113 117 HH2 TRP 15 HH2 TRP 15 6.703 -2.246 1.307 118 H PHE 16 H PHE 16 8.912 0.071 -4.778 119 HA PHE 16 HA PHE 16 9.854 -1.890 -3.011 120 HB2 PHE 16 2HB PHE 16 8.181 -2.421 -4.723 121 HB3 PHE 16 1HB PHE 16 9.332 -2.088 -6.009 122 HD1 PHE 16 HD2 PHE 16 8.784 -4.328 -3.074 123 HD2 PHE 16 HD1 PHE 16 10.644 -3.862 -6.890 124 HE1 PHE 16 HE2 PHE 16 9.533 -6.644 -3.022 125 HE2 PHE 16 HE1 PHE 16 11.389 -6.197 -6.810 126 HZ PHE 16 HZ PHE 16 10.828 -7.596 -4.868 127 H ASN 17 H ASN 17 11.392 -0.407 -5.858 128 HA ASN 17 HA ASN 17 13.565 -2.123 -6.157 129 HB2 ASN 17 2HB ASN 17 12.749 -0.523 -7.848 130 HB3 ASN 17 1HB ASN 17 13.225 0.826 -6.824 131 HD21 ASN 17 1HD2 ASN 17 14.489 1.637 -8.421 132 HD22 ASN 17 2HD2 ASN 17 16.008 0.965 -8.847 133 H THR 18 H THR 18 13.308 1.012 -4.417 134 HA THR 18 HA THR 18 15.957 0.884 -3.311 135 HB THR 18 HB THR 18 14.862 3.079 -3.681 136 HG1 THR 18 HG1 THR 18 15.668 3.989 -1.858 137 HG21 THR 18 3HG2 THR 18 13.103 3.917 -2.161 138 HG22 THR 18 1HG2 THR 18 12.994 2.323 -1.409 139 HG23 THR 18 2HG2 THR 18 12.531 2.534 -3.099 140 H LYS 19 H LYS 19 12.862 -0.429 -2.367 141 HA LYS 19 HA LYS 19 13.332 -0.630 0.450 142 HB2 LYS 19 2HB LYS 19 11.036 -0.574 -0.671 143 HB3 LYS 19 1HB LYS 19 11.322 -2.221 -1.204 144 HG2 LYS 19 2HG LYS 19 9.890 -2.156 0.788 145 HG3 LYS 19 1HG LYS 19 11.417 -2.986 1.130 146 HD2 LYS 19 2HD LYS 19 12.299 -0.924 2.179 147 HD3 LYS 19 1HD LYS 19 10.782 -0.088 1.831 148 HE2 LYS 19 2HE LYS 19 9.579 -1.547 3.364 149 HE3 LYS 19 1HE LYS 19 11.018 -2.546 3.597 150 HZ1 LYS 19 3HZ LYS 19 12.117 -0.762 4.681 151 HZ2 LYS 19 1HZ LYS 19 10.593 -0.930 5.400 152 HZ3 LYS 19 2HZ LYS 19 10.880 0.326 4.301 153 H ARG 20 H ARG 20 14.092 -2.609 -2.330 154 HA ARG 20 HA ARG 20 14.648 -5.076 -1.119 155 HB2 ARG 20 2HB ARG 20 15.983 -3.787 -3.525 156 HB3 ARG 20 1HB ARG 20 16.173 -5.481 -3.072 157 HG2 ARG 20 2HG ARG 20 13.691 -5.772 -3.361 158 HG3 ARG 20 1HG ARG 20 13.611 -4.111 -3.952 159 HD2 ARG 20 2HD ARG 20 15.170 -6.390 -5.208 160 HD3 ARG 20 1HD ARG 20 13.668 -5.687 -5.818 161 HE ARG 20 HE ARG 20 15.443 -3.579 -5.682 162 HH11 ARG 20 1HH1 ARG 20 15.438 -6.679 -7.345 163 HH12 ARG 20 2HH1 ARG 20 16.348 -6.089 -8.699 164 HH21 ARG 20 1HH2 ARG 20 16.634 -2.829 -7.483 165 HH22 ARG 20 2HH2 ARG 20 17.050 -3.931 -8.754 166 H HIS 21 H HIS 21 16.474 -2.102 -0.925 167 HA HIS 21 HA HIS 21 18.868 -3.371 0.167 168 HB2 HIS 21 2HB HIS 21 18.085 -0.434 -0.078 169 HB3 HIS 21 1HB HIS 21 19.640 -1.000 0.522 170 HD1 HIS 21 HD1 HIS 21 21.393 -1.653 -1.189 171 HD2 HIS 21 HD2 HIS 21 17.667 -0.930 -2.883 172 HE1 HIS 21 HE1 HIS 21 21.768 -1.638 -3.668 173 HE2 HIS 21 HE2 HIS 21 19.539 -1.046 -4.663 174 H SER 22 H SER 22 15.864 -2.180 1.365 175 HA SER 22 HA SER 22 16.754 -1.767 4.115 176 HB2 SER 22 2HB SER 22 15.044 -0.271 3.171 177 HB3 SER 22 1HB SER 22 13.989 -1.640 2.819 178 HG SER 22 HG SER 22 14.883 -1.189 5.452 179 H VAL 23 H VAL 23 14.805 -4.069 2.259 180 HA VAL 23 HA VAL 23 14.772 -5.999 4.508 181 HB VAL 23 HB VAL 23 12.620 -6.896 3.679 182 HG11 VAL 23 1HG1 VAL 23 12.516 -5.174 5.427 183 HG12 VAL 23 2HG1 VAL 23 11.122 -5.039 4.353 184 HG13 VAL 23 3HG1 VAL 23 12.463 -3.902 4.202 185 HG21 VAL 23 3HG2 VAL 23 12.800 -6.368 1.280 186 HG22 VAL 23 1HG2 VAL 23 12.650 -4.642 1.627 187 HG23 VAL 23 2HG2 VAL 23 11.292 -5.726 1.931 188 H GLY 24 H GLY 24 14.719 -8.272 3.837 189 HA2 GLY 24 2HA GLY 24 16.688 -8.950 1.916 190 HA3 GLY 24 1HA GLY 24 15.618 -10.075 2.741 191 H ILE 25 H ILE 25 16.454 -10.256 0.019 192 HA ILE 25 HA ILE 25 14.599 -9.264 -1.868 193 HB ILE 25 HB ILE 25 16.429 -11.703 -2.038 194 HG12 ILE 25 2HG1 ILE 25 17.757 -9.712 -1.659 195 HG13 ILE 25 1HG1 ILE 25 17.937 -10.134 -3.357 196 HG21 ILE 25 1HG2 ILE 25 16.248 -11.552 -4.506 197 HG22 ILE 25 2HG2 ILE 25 15.025 -10.292 -4.339 198 HG23 ILE 25 3HG2 ILE 25 14.695 -11.922 -3.752 199 HD11 ILE 25 3HD1 ILE 25 16.270 -8.387 -3.910 200 HD12 ILE 25 1HD1 ILE 25 17.722 -7.768 -3.128 201 HD13 ILE 25 2HD1 ILE 25 16.232 -7.935 -2.203 202 H GLN 26 H GLN 26 14.706 -12.299 -0.063 203 HA GLN 26 HA GLN 26 12.458 -13.573 -1.269 204 HB2 GLN 26 2HB GLN 26 12.543 -15.092 0.697 205 HB3 GLN 26 1HB GLN 26 14.125 -14.864 -0.038 206 HG2 GLN 26 2HG GLN 26 14.730 -13.272 1.756 207 HG3 GLN 26 1HG GLN 26 13.148 -13.499 2.495 208 HE21 GLN 26 1HE2 GLN 26 15.079 -16.119 1.086 209 HE22 GLN 26 2HE2 GLN 26 15.384 -16.925 2.582 210 H THR 27 H THR 27 12.813 -11.385 1.444 211 HA THR 27 HA THR 27 10.130 -11.518 2.446 212 HB THR 27 HB THR 27 12.253 -9.353 2.852 213 HG1 THR 27 HG1 THR 27 11.723 -11.822 4.167 214 HG21 THR 27 3HG2 THR 27 9.814 -10.027 4.553 215 HG22 THR 27 1HG2 THR 27 10.001 -8.582 3.554 216 HG23 THR 27 2HG2 THR 27 11.051 -8.832 4.952 217 H ALA 28 H ALA 28 11.883 -9.496 0.186 218 HA ALA 28 HA ALA 28 9.972 -7.409 -0.141 219 HB1 ALA 28 3HB ALA 28 12.389 -7.109 -0.580 220 HB2 ALA 28 1HB ALA 28 11.431 -6.710 -2.008 221 HB3 ALA 28 2HB ALA 28 12.290 -8.249 -1.923 222 H LYS 29 H LYS 29 10.759 -10.374 -1.889 223 HA LYS 29 HA LYS 29 9.111 -10.223 -4.128 224 HB2 LYS 29 2HB LYS 29 10.884 -11.920 -3.779 225 HB3 LYS 29 1HB LYS 29 9.949 -12.666 -2.498 226 HG2 LYS 29 2HG LYS 29 8.872 -12.535 -5.329 227 HG3 LYS 29 1HG LYS 29 10.039 -13.775 -4.873 228 HD2 LYS 29 2HD LYS 29 7.251 -13.370 -3.702 229 HD3 LYS 29 1HD LYS 29 7.780 -14.688 -4.748 230 HE2 LYS 29 2HE LYS 29 8.774 -14.167 -1.918 231 HE3 LYS 29 1HE LYS 29 7.609 -15.404 -2.392 232 HZ1 LYS 29 3HZ LYS 29 10.448 -15.258 -3.264 233 HZ2 LYS 29 1HZ LYS 29 9.327 -16.426 -3.761 234 HZ3 LYS 29 2HZ LYS 29 9.797 -16.345 -2.141 235 H VAL 30 H VAL 30 8.394 -11.164 -0.823 236 HA VAL 30 HA VAL 30 5.711 -12.093 -1.234 237 HB VAL 30 HB VAL 30 7.155 -11.244 1.319 238 HG11 VAL 30 1HG1 VAL 30 4.746 -11.147 1.684 239 HG12 VAL 30 2HG1 VAL 30 5.409 -12.547 2.527 240 HG13 VAL 30 3HG1 VAL 30 4.543 -12.760 1.005 241 HG21 VAL 30 3HG2 VAL 30 7.465 -13.669 1.711 242 HG22 VAL 30 1HG2 VAL 30 8.240 -13.150 0.212 243 HG23 VAL 30 2HG2 VAL 30 6.706 -14.017 0.155 244 H LEU 31 H LEU 31 7.195 -9.037 -0.141 245 HA LEU 31 HA LEU 31 4.854 -7.630 0.578 246 HB2 LEU 31 2HB LEU 31 7.458 -6.447 -0.479 247 HB3 LEU 31 1HB LEU 31 6.205 -5.558 0.375 248 HG LEU 31 HG LEU 31 8.015 -7.710 1.538 249 HD11 LEU 31 1HD1 LEU 31 9.133 -5.562 1.202 250 HD12 LEU 31 2HD1 LEU 31 8.944 -5.922 2.914 251 HD13 LEU 31 3HD1 LEU 31 7.881 -4.741 2.141 252 HD21 LEU 31 3HD2 LEU 31 5.791 -7.913 2.554 253 HD22 LEU 31 1HD2 LEU 31 5.799 -6.193 2.958 254 HD23 LEU 31 2HD2 LEU 31 6.959 -7.288 3.714 255 H LYS 32 H LYS 32 6.614 -7.800 -2.525 256 HA LYS 32 HA LYS 32 4.749 -6.058 -3.888 257 HB2 LYS 32 2HB LYS 32 7.210 -6.209 -4.490 258 HB3 LYS 32 1HB LYS 32 6.889 -7.799 -5.174 259 HG2 LYS 32 2HG LYS 32 5.259 -6.760 -6.751 260 HG3 LYS 32 1HG LYS 32 5.647 -5.175 -6.074 261 HD2 LYS 32 2HD LYS 32 7.991 -5.434 -6.864 262 HD3 LYS 32 1HD LYS 32 7.574 -7.007 -7.563 263 HE2 LYS 32 2HE LYS 32 5.902 -5.878 -9.028 264 HE3 LYS 32 1HE LYS 32 6.385 -4.319 -8.358 265 HZ1 LYS 32 3HZ LYS 32 8.622 -4.739 -9.214 266 HZ2 LYS 32 1HZ LYS 32 7.458 -4.676 -10.438 267 HZ3 LYS 32 2HZ LYS 32 8.081 -6.169 -9.932 268 H GLY 33 H GLY 33 5.123 -9.486 -3.357 269 HA2 GLY 33 2HA GLY 33 3.278 -10.513 -5.226 270 HA3 GLY 33 1HA GLY 33 3.640 -11.214 -3.649 271 H TYR 34 H TYR 34 2.860 -8.783 -2.220 272 HA TYR 34 HA TYR 34 -0.025 -9.083 -2.141 273 HB2 TYR 34 2HB TYR 34 1.873 -7.331 -0.517 274 HB3 TYR 34 1HB TYR 34 0.140 -7.465 -0.224 275 HD1 TYR 34 HD2 TYR 34 -0.166 -10.458 -0.657 276 HD2 TYR 34 HD1 TYR 34 2.715 -8.213 1.570 277 HE1 TYR 34 HE2 TYR 34 0.180 -12.372 0.817 278 HE2 TYR 34 HE1 TYR 34 3.049 -10.142 3.064 279 HH TYR 34 HH TYR 34 1.864 -13.267 2.305 280 H LEU 35 H LEU 35 2.360 -6.662 -3.182 281 HA LEU 35 HA LEU 35 0.605 -4.467 -3.505 282 HB2 LEU 35 2HB LEU 35 3.245 -5.071 -4.872 283 HB3 LEU 35 1HB LEU 35 2.386 -3.550 -5.068 284 HG LEU 35 HG LEU 35 3.533 -4.623 -2.458 285 HD11 LEU 35 1HD1 LEU 35 4.465 -2.293 -4.159 286 HD12 LEU 35 2HD1 LEU 35 5.285 -3.845 -3.975 287 HD13 LEU 35 3HD1 LEU 35 5.126 -2.767 -2.591 288 HD21 LEU 35 3HD2 LEU 35 2.888 -2.436 -1.494 289 HD22 LEU 35 1HD2 LEU 35 1.494 -3.386 -1.997 290 HD23 LEU 35 2HD2 LEU 35 2.044 -2.031 -2.987 291 H ASN 36 H ASN 36 1.934 -6.673 -5.979 292 HA ASN 36 HA ASN 36 0.508 -5.646 -8.178 293 HB2 ASN 36 2HB ASN 36 1.656 -8.451 -7.841 294 HB3 ASN 36 1HB ASN 36 1.225 -7.698 -9.376 295 HD21 ASN 36 1HD2 ASN 36 3.792 -8.749 -8.573 296 HD22 ASN 36 2HD2 ASN 36 4.913 -7.444 -8.651 297 H SER 37 H SER 37 -0.282 -8.185 -5.865 298 HA SER 37 HA SER 37 -2.514 -9.265 -7.314 299 HB2 SER 37 2HB SER 37 -1.212 -10.628 -5.725 300 HB3 SER 37 1HB SER 37 -1.680 -9.566 -4.399 301 HG SER 37 HG SER 37 -3.527 -11.010 -5.990 302 H ARG 38 H ARG 38 -2.245 -7.180 -4.419 303 HA ARG 38 HA ARG 38 -5.173 -6.926 -4.299 304 HB2 ARG 38 2HB ARG 38 -3.023 -6.348 -2.223 305 HB3 ARG 38 1HB ARG 38 -4.739 -6.048 -1.968 306 HG2 ARG 38 2HG ARG 38 -3.492 -8.769 -2.506 307 HG3 ARG 38 1HG ARG 38 -4.018 -8.172 -0.927 308 HD2 ARG 38 2HD ARG 38 -6.328 -8.119 -1.641 309 HD3 ARG 38 1HD ARG 38 -5.879 -8.474 -3.314 310 HE ARG 38 HE ARG 38 -5.176 -10.474 -1.297 311 HH11 ARG 38 1HH1 ARG 38 -7.380 -9.537 -3.869 312 HH12 ARG 38 2HH1 ARG 38 -8.073 -11.119 -4.006 313 HH21 ARG 38 1HH2 ARG 38 -6.044 -12.550 -1.535 314 HH22 ARG 38 2HH2 ARG 38 -7.287 -12.838 -2.708 315 H ILE 39 H ILE 39 -2.254 -4.825 -4.134 316 HA ILE 39 HA ILE 39 -3.930 -2.490 -3.804 317 HB ILE 39 HB ILE 39 -0.892 -2.677 -4.006 318 HG12 ILE 39 2HG1 ILE 39 -1.108 -1.961 -1.492 319 HG13 ILE 39 1HG1 ILE 39 -2.775 -2.503 -1.606 320 HG21 ILE 39 1HG2 ILE 39 -0.871 -0.336 -3.183 321 HG22 ILE 39 2HG2 ILE 39 -2.630 -0.283 -3.315 322 HG23 ILE 39 3HG2 ILE 39 -1.643 -0.477 -4.764 323 HD11 ILE 39 3HD1 ILE 39 -1.410 -4.179 -0.598 324 HD12 ILE 39 1HD1 ILE 39 -0.291 -4.166 -1.959 325 HD13 ILE 39 2HD1 ILE 39 -1.939 -4.759 -2.176 326 H ILE 40 H ILE 40 -1.959 -3.831 -6.471 327 HA ILE 40 HA ILE 40 -1.857 -1.549 -8.091 328 HB ILE 40 HB ILE 40 -1.236 -4.412 -8.493 329 HG12 ILE 40 2HG1 ILE 40 0.773 -3.508 -9.666 330 HG13 ILE 40 1HG1 ILE 40 0.080 -1.893 -9.620 331 HG21 ILE 40 1HG2 ILE 40 -2.805 -4.301 -10.355 332 HG22 ILE 40 2HG2 ILE 40 -1.156 -4.403 -10.968 333 HG23 ILE 40 3HG2 ILE 40 -2.003 -2.857 -10.984 334 HD11 ILE 40 3HD1 ILE 40 0.252 -1.915 -7.166 335 HD12 ILE 40 1HD1 ILE 40 1.807 -2.151 -7.964 336 HD13 ILE 40 2HD1 ILE 40 0.969 -3.526 -7.249 337 HA PRO 41 HA PRO 41 -6.034 -2.794 -10.244 338 HB2 PRO 41 2HB PRO 41 -7.734 -4.557 -9.049 339 HB3 PRO 41 1HB PRO 41 -6.450 -5.091 -10.145 340 HG2 PRO 41 2HG PRO 41 -6.441 -5.000 -7.123 341 HG3 PRO 41 1HG PRO 41 -5.966 -6.337 -8.197 342 HD2 PRO 41 2HD PRO 41 -4.127 -4.669 -7.095 343 HD3 PRO 41 1HD PRO 41 -3.900 -5.345 -8.721 344 H SER 42 H SER 42 -5.604 -2.235 -6.840 345 HA SER 42 HA SER 42 -8.279 -1.009 -6.505 346 HB2 SER 42 2HB SER 42 -6.129 -1.621 -4.428 347 HB3 SER 42 1HB SER 42 -7.766 -1.050 -4.091 348 HG SER 42 HG SER 42 -7.052 -3.495 -5.336 349 H LEU 43 H LEU 43 -5.049 -0.123 -5.245 350 HA LEU 43 HA LEU 43 -5.715 2.734 -5.471 351 HB2 LEU 43 2HB LEU 43 -3.451 1.408 -3.919 352 HB3 LEU 43 1HB LEU 43 -4.005 3.069 -3.762 353 HG LEU 43 HG LEU 43 -5.585 0.590 -2.945 354 HD11 LEU 43 1HD1 LEU 43 -4.223 2.657 -1.184 355 HD12 LEU 43 2HD1 LEU 43 -3.709 0.986 -1.428 356 HD13 LEU 43 3HD1 LEU 43 -5.240 1.323 -0.628 357 HD21 LEU 43 3HD2 LEU 43 -6.315 3.522 -2.616 358 HD22 LEU 43 1HD2 LEU 43 -7.211 2.151 -1.955 359 HD23 LEU 43 2HD2 LEU 43 -7.092 2.362 -3.698 360 H GLY 44 H GLY 44 -3.944 0.397 -7.118 361 HA2 GLY 44 2HA GLY 44 -1.462 1.679 -7.636 362 HA3 GLY 44 1HA GLY 44 -2.141 0.319 -8.517 363 H ASN 45 H ASN 45 -4.396 1.296 -9.646 364 HA ASN 45 HA ASN 45 -3.639 2.807 -11.884 365 HB2 ASN 45 2HB ASN 45 -6.422 2.457 -10.675 366 HB3 ASN 45 1HB ASN 45 -6.105 3.065 -12.296 367 HD21 ASN 45 1HD2 ASN 45 -5.496 1.614 -13.914 368 HD22 ASN 45 2HD2 ASN 45 -5.584 -0.098 -13.701 369 H ILE 46 H ILE 46 -4.766 3.801 -8.758 370 HA ILE 46 HA ILE 46 -5.639 6.450 -9.446 371 HB ILE 46 HB ILE 46 -5.068 5.248 -6.690 372 HG12 ILE 46 2HG1 ILE 46 -7.705 5.278 -8.233 373 HG13 ILE 46 1HG1 ILE 46 -6.688 3.861 -8.007 374 HG21 ILE 46 1HG2 ILE 46 -6.652 6.928 -5.813 375 HG22 ILE 46 2HG2 ILE 46 -6.846 7.603 -7.432 376 HG23 ILE 46 3HG2 ILE 46 -5.284 7.705 -6.617 377 HD11 ILE 46 3HD1 ILE 46 -8.578 3.820 -6.515 378 HD12 ILE 46 1HD1 ILE 46 -8.126 5.380 -5.837 379 HD13 ILE 46 2HD1 ILE 46 -7.089 3.974 -5.584 380 H LYS 47 H LYS 47 -4.621 8.403 -8.930 381 HA LYS 47 HA LYS 47 -1.770 8.484 -8.940 382 HB2 LYS 47 2HB LYS 47 -3.865 10.658 -8.544 383 HB3 LYS 47 1HB LYS 47 -2.141 10.973 -8.674 384 HG2 LYS 47 2HG LYS 47 -3.842 9.693 -10.835 385 HG3 LYS 47 1HG LYS 47 -3.359 11.392 -10.790 386 HD2 LYS 47 2HD LYS 47 -1.445 9.023 -10.957 387 HD3 LYS 47 1HD LYS 47 -1.944 10.024 -12.320 388 HE2 LYS 47 2HE LYS 47 -0.415 11.029 -9.887 389 HE3 LYS 47 1HE LYS 47 0.295 10.657 -11.460 390 HZ1 LYS 47 3HZ LYS 47 -0.123 13.032 -11.177 391 HZ2 LYS 47 1HZ LYS 47 -1.775 12.735 -10.962 392 HZ3 LYS 47 2HZ LYS 47 -1.043 12.396 -12.445 393 H LEU 48 H LEU 48 -0.407 9.250 -7.296 394 HA LEU 48 HA LEU 48 -0.581 7.861 -4.929 395 HB2 LEU 48 2HB LEU 48 1.484 8.573 -5.998 396 HB3 LEU 48 1HB LEU 48 1.109 10.249 -5.688 397 HG LEU 48 HG LEU 48 1.481 9.948 -3.282 398 HD11 LEU 48 1HD1 LEU 48 0.724 7.629 -3.042 399 HD12 LEU 48 2HD1 LEU 48 2.332 7.858 -2.359 400 HD13 LEU 48 3HD1 LEU 48 2.145 7.069 -3.928 401 HD21 LEU 48 3HD2 LEU 48 3.757 8.819 -4.941 402 HD22 LEU 48 1HD2 LEU 48 3.896 9.534 -3.332 403 HD23 LEU 48 2HD2 LEU 48 3.400 10.531 -4.695 404 H ALA 49 H ALA 49 -1.136 11.375 -5.329 405 HA ALA 49 HA ALA 49 -1.673 11.850 -2.533 406 HB1 ALA 49 3HB ALA 49 -2.137 13.697 -4.891 407 HB2 ALA 49 1HB ALA 49 -0.646 13.586 -3.956 408 HB3 ALA 49 2HB ALA 49 -2.128 14.162 -3.187 409 H LYS 50 H LYS 50 -3.586 10.840 -5.202 410 HA LYS 50 HA LYS 50 -6.118 11.844 -4.175 411 HB2 LYS 50 2HB LYS 50 -5.573 9.994 -6.529 412 HB3 LYS 50 1HB LYS 50 -7.118 10.753 -6.145 413 HG2 LYS 50 2HG LYS 50 -4.568 12.108 -7.069 414 HG3 LYS 50 1HG LYS 50 -6.118 12.013 -7.916 415 HD2 LYS 50 2HD LYS 50 -7.152 13.428 -6.133 416 HD3 LYS 50 1HD LYS 50 -5.584 13.544 -5.330 417 HE2 LYS 50 2HE LYS 50 -5.869 15.559 -6.574 418 HE3 LYS 50 1HE LYS 50 -4.695 14.584 -7.466 419 HZ1 LYS 50 3HZ LYS 50 -6.509 13.860 -8.915 420 HZ2 LYS 50 1HZ LYS 50 -6.283 15.536 -8.960 421 HZ3 LYS 50 2HZ LYS 50 -7.580 14.880 -8.097 422 H LEU 51 H LEU 51 -4.203 9.270 -3.319 423 HA LEU 51 HA LEU 51 -6.219 7.425 -2.504 424 HB2 LEU 51 2HB LEU 51 -3.349 7.908 -1.702 425 HB3 LEU 51 1HB LEU 51 -4.361 6.954 -0.624 426 HG LEU 51 HG LEU 51 -4.845 5.396 -2.557 427 HD11 LEU 51 1HD1 LEU 51 -2.667 6.944 -3.981 428 HD12 LEU 51 2HD1 LEU 51 -4.371 6.875 -4.436 429 HD13 LEU 51 3HD1 LEU 51 -3.379 5.421 -4.526 430 HD21 LEU 51 3HD2 LEU 51 -1.932 5.656 -1.768 431 HD22 LEU 51 1HD2 LEU 51 -2.714 4.211 -2.411 432 HD23 LEU 51 2HD2 LEU 51 -3.190 4.840 -0.836 433 H THR 52 H THR 52 -7.916 8.564 -1.660 434 HA THR 52 HA THR 52 -7.579 10.122 0.807 435 HB THR 52 HB THR 52 -9.053 11.083 -0.931 436 HG1 THR 52 HG1 THR 52 -9.726 11.722 1.035 437 HG21 THR 52 3HG2 THR 52 -11.211 10.043 -1.502 438 HG22 THR 52 1HG2 THR 52 -10.798 8.629 -0.531 439 HG23 THR 52 2HG2 THR 52 -9.865 9.009 -1.981 440 H SER 53 H SER 53 -9.417 9.619 2.498 441 HA SER 53 HA SER 53 -8.720 7.093 3.612 442 HB2 SER 53 2HB SER 53 -9.215 9.160 4.969 443 HB3 SER 53 1HB SER 53 -10.920 8.983 4.557 444 HG SER 53 HG SER 53 -10.428 6.690 5.481 445 H LEU 54 H LEU 54 -11.433 8.170 1.693 446 HA LEU 54 HA LEU 54 -13.310 6.128 2.072 447 HB2 LEU 54 2HB LEU 54 -13.761 8.160 0.733 448 HB3 LEU 54 1HB LEU 54 -12.593 7.643 -0.472 449 HG LEU 54 HG LEU 54 -14.057 5.688 -1.035 450 HD11 LEU 54 1HD1 LEU 54 -16.375 5.603 -0.220 451 HD12 LEU 54 2HD1 LEU 54 -16.030 6.916 0.909 452 HD13 LEU 54 3HD1 LEU 54 -15.202 5.363 1.075 453 HD21 LEU 54 3HD2 LEU 54 -14.229 7.722 -2.380 454 HD22 LEU 54 1HD2 LEU 54 -15.442 8.378 -1.275 455 HD23 LEU 54 2HD2 LEU 54 -15.801 6.940 -2.236 456 H HIS 55 H HIS 55 -10.447 6.278 0.031 457 HA HIS 55 HA HIS 55 -10.795 3.816 -1.374 458 HB2 HIS 55 2HB HIS 55 -8.292 5.514 -0.930 459 HB3 HIS 55 1HB HIS 55 -8.386 4.153 -2.037 460 HD1 HIS 55 HD1 HIS 55 -7.574 6.245 -3.636 461 HD2 HIS 55 HD2 HIS 55 -11.559 6.146 -2.470 462 HE1 HIS 55 HE1 HIS 55 -8.781 7.727 -5.252 463 HE2 HIS 55 HE2 HIS 55 -11.193 7.681 -4.511 464 H MET 56 H MET 56 -9.307 4.696 1.689 465 HA MET 56 HA MET 56 -7.886 2.229 2.116 466 HB2 MET 56 2HB MET 56 -8.668 4.485 4.003 467 HB3 MET 56 1HB MET 56 -7.764 3.060 4.537 468 HG2 MET 56 2HG MET 56 -6.904 5.057 2.441 469 HG3 MET 56 1HG MET 56 -6.240 4.867 4.070 470 HE1 MET 56 3HE MET 56 -3.352 3.544 1.750 471 HE2 MET 56 1HE MET 56 -3.769 4.665 3.043 472 HE3 MET 56 2HE MET 56 -4.452 4.881 1.429 473 H GLN 57 H GLN 57 -10.974 3.560 3.285 474 HA GLN 57 HA GLN 57 -11.727 1.391 4.911 475 HB2 GLN 57 2HB GLN 57 -12.824 3.619 5.036 476 HB3 GLN 57 1HB GLN 57 -13.535 3.371 3.446 477 HG2 GLN 57 2HG GLN 57 -15.148 2.996 5.287 478 HG3 GLN 57 1HG GLN 57 -14.925 1.563 4.291 479 HE21 GLN 57 1HE2 GLN 57 -13.979 -0.288 5.211 480 HE22 GLN 57 2HE2 GLN 57 -13.701 -0.447 6.909 481 H ASN 58 H ASN 58 -12.478 2.129 1.513 482 HA ASN 58 HA ASN 58 -14.014 -0.181 0.935 483 HB2 ASN 58 2HB ASN 58 -12.448 1.708 -0.864 484 HB3 ASN 58 1HB ASN 58 -13.439 0.396 -1.502 485 HD21 ASN 58 1HD2 ASN 58 -13.637 3.395 -1.644 486 HD22 ASN 58 2HD2 ASN 58 -15.269 3.735 -1.196 487 H TYR 59 H TYR 59 -10.538 0.388 1.006 488 HA TYR 59 HA TYR 59 -9.760 -1.989 -0.376 489 HB2 TYR 59 2HB TYR 59 -8.165 -0.116 -0.089 490 HB3 TYR 59 1HB TYR 59 -8.162 -0.361 1.655 491 HD1 TYR 59 HD2 TYR 59 -7.268 -2.012 -1.592 492 HD2 TYR 59 HD1 TYR 59 -6.667 -1.986 2.648 493 HE1 TYR 59 HE2 TYR 59 -5.467 -3.675 -1.829 494 HE2 TYR 59 HE1 TYR 59 -4.883 -3.655 2.403 495 HH TYR 59 HH TYR 59 -3.506 -4.467 -0.576 496 H VAL 60 H VAL 60 -10.116 -1.197 3.097 497 HA VAL 60 HA VAL 60 -9.380 -3.749 4.112 498 HB VAL 60 HB VAL 60 -11.111 -1.609 5.452 499 HG11 VAL 60 1HG1 VAL 60 -9.580 -3.919 6.727 500 HG12 VAL 60 2HG1 VAL 60 -11.335 -3.792 6.598 501 HG13 VAL 60 3HG1 VAL 60 -10.442 -2.651 7.603 502 HG21 VAL 60 3HG2 VAL 60 -9.019 -0.861 6.545 503 HG22 VAL 60 1HG2 VAL 60 -8.896 -0.727 4.789 504 HG23 VAL 60 2HG2 VAL 60 -8.100 -2.059 5.629 505 H ASN 61 H ASN 61 -12.462 -2.379 3.058 506 HA ASN 61 HA ASN 61 -14.222 -4.463 3.821 507 HB2 ASN 61 2HB ASN 61 -14.411 -2.627 1.389 508 HB3 ASN 61 1HB ASN 61 -15.727 -3.616 2.018 509 HD21 ASN 61 1HD2 ASN 61 -15.600 -0.725 1.664 510 HD22 ASN 61 2HD2 ASN 61 -15.876 -0.040 3.224 511 H SER 62 H SER 62 -12.293 -3.913 0.884 512 HA SER 62 HA SER 62 -13.145 -6.066 -0.691 513 HB2 SER 62 2HB SER 62 -11.797 -4.226 -1.611 514 HB3 SER 62 1HB SER 62 -10.428 -4.675 -0.596 515 HG SER 62 HG SER 62 -11.380 -6.711 -2.193 516 H LEU 63 H LEU 63 -10.715 -5.901 1.871 517 HA LEU 63 HA LEU 63 -9.454 -8.418 1.438 518 HB2 LEU 63 2HB LEU 63 -9.624 -6.910 4.075 519 HB3 LEU 63 1HB LEU 63 -8.395 -8.076 3.593 520 HG LEU 63 HG LEU 63 -8.803 -5.282 2.485 521 HD11 LEU 63 1HD1 LEU 63 -7.705 -5.313 4.645 522 HD12 LEU 63 2HD1 LEU 63 -6.591 -4.805 3.380 523 HD13 LEU 63 3HD1 LEU 63 -6.487 -6.440 4.038 524 HD21 LEU 63 3HD2 LEU 63 -6.818 -7.361 1.517 525 HD22 LEU 63 1HD2 LEU 63 -6.844 -5.662 1.035 526 HD23 LEU 63 2HD2 LEU 63 -8.190 -6.713 0.616 527 H ARG 64 H ARG 64 -12.282 -7.430 3.265 528 HA ARG 64 HA ARG 64 -12.769 -9.916 4.601 529 HB2 ARG 64 2HB ARG 64 -13.753 -7.894 5.507 530 HB3 ARG 64 1HB ARG 64 -14.559 -7.534 3.983 531 HG2 ARG 64 2HG ARG 64 -16.033 -9.483 4.284 532 HG3 ARG 64 1HG ARG 64 -15.206 -9.892 5.788 533 HD2 ARG 64 2HD ARG 64 -16.042 -7.915 6.879 534 HD3 ARG 64 1HD ARG 64 -16.642 -7.252 5.354 535 HE ARG 64 HE ARG 64 -18.312 -8.980 5.300 536 HH11 ARG 64 1HH1 ARG 64 -16.712 -8.679 8.429 537 HH12 ARG 64 2HH1 ARG 64 -17.998 -9.475 9.275 538 HH21 ARG 64 1HH2 ARG 64 -19.952 -10.000 6.411 539 HH22 ARG 64 2HH2 ARG 64 -19.844 -10.204 8.131 540 H ASP 65 H ASP 65 -13.862 -8.477 1.511 541 HA ASP 65 HA ASP 65 -15.626 -10.567 0.733 542 HB2 ASP 65 2HB ASP 65 -14.120 -8.498 -0.911 543 HB3 ASP 65 1HB ASP 65 -15.249 -9.642 -1.627 544 H GLU 66 H GLU 66 -12.155 -10.095 0.309 545 HA GLU 66 HA GLU 66 -11.756 -12.469 -1.288 546 HB2 GLU 66 2HB GLU 66 -9.692 -10.808 0.226 547 HB3 GLU 66 1HB GLU 66 -9.352 -11.998 -1.029 548 HG2 GLU 66 2HG GLU 66 -10.702 -9.305 -1.353 549 HG3 GLU 66 1HG GLU 66 -9.143 -9.807 -1.992 550 H GLY 67 H GLY 67 -12.046 -11.709 2.048 551 HA2 GLY 67 2HA GLY 67 -12.390 -13.096 3.832 552 HA3 GLY 67 1HA GLY 67 -12.087 -14.487 2.805 553 H LEU 68 H LEU 68 -9.754 -11.934 2.970 554 HA LEU 68 HA LEU 68 -7.600 -13.578 3.727 555 HB2 LEU 68 2HB LEU 68 -7.818 -10.542 3.887 556 HB3 LEU 68 1HB LEU 68 -6.319 -11.454 3.991 557 HG LEU 68 HG LEU 68 -8.119 -11.254 1.537 558 HD11 LEU 68 1HD1 LEU 68 -6.845 -9.201 1.952 559 HD12 LEU 68 2HD1 LEU 68 -6.269 -10.031 0.510 560 HD13 LEU 68 3HD1 LEU 68 -5.341 -10.127 2.010 561 HD21 LEU 68 3HD2 LEU 68 -6.390 -12.527 0.344 562 HD22 LEU 68 1HD2 LEU 68 -7.096 -13.475 1.650 563 HD23 LEU 68 2HD2 LEU 68 -5.498 -12.752 1.853 564 H LYS 69 H LYS 69 -6.610 -13.964 5.650 565 HA LYS 69 HA LYS 69 -8.120 -13.608 8.096 566 HB2 LYS 69 2HB LYS 69 -6.420 -15.069 9.087 567 HB3 LYS 69 1HB LYS 69 -6.967 -15.728 7.551 568 HG2 LYS 69 2HG LYS 69 -4.838 -14.539 6.577 569 HG3 LYS 69 1HG LYS 69 -4.293 -14.518 8.258 570 HD2 LYS 69 2HD LYS 69 -5.034 -16.985 6.619 571 HD3 LYS 69 1HD LYS 69 -3.402 -16.490 7.067 572 HE2 LYS 69 2HE LYS 69 -5.549 -17.270 9.076 573 HE3 LYS 69 1HE LYS 69 -4.353 -18.387 8.426 574 HZ1 LYS 69 3HZ LYS 69 -2.612 -17.053 9.374 575 HZ2 LYS 69 1HZ LYS 69 -3.719 -17.504 10.568 576 HZ3 LYS 69 2HZ LYS 69 -3.734 -15.934 9.951 577 H ARG 70 H ARG 70 -7.280 -12.604 10.013 578 HA ARG 70 HA ARG 70 -6.599 -9.949 9.661 579 HB2 ARG 70 2HB ARG 70 -6.172 -9.926 12.177 580 HB3 ARG 70 1HB ARG 70 -7.722 -10.576 11.652 581 HG2 ARG 70 2HG ARG 70 -6.861 -12.882 11.962 582 HG3 ARG 70 1HG ARG 70 -5.319 -12.223 12.519 583 HD2 ARG 70 2HD ARG 70 -8.010 -11.750 13.860 584 HD3 ARG 70 1HD ARG 70 -6.799 -12.927 14.383 585 HE ARG 70 HE ARG 70 -5.274 -10.948 14.642 586 HH11 ARG 70 1HH1 ARG 70 -8.742 -10.565 15.105 587 HH12 ARG 70 2HH1 ARG 70 -8.556 -9.186 16.139 588 HH21 ARG 70 1HH2 ARG 70 -5.054 -9.141 15.954 589 HH22 ARG 70 2HH2 ARG 70 -6.463 -8.375 16.612 590 H GLY 71 H GLY 71 -4.345 -12.603 10.150 591 HA2 GLY 71 2HA GLY 71 -1.989 -11.102 10.595 592 HA3 GLY 71 1HA GLY 71 -2.068 -12.740 9.960 593 H THR 72 H THR 72 -3.365 -12.443 7.579 594 HA THR 72 HA THR 72 -1.420 -11.495 5.762 595 HB THR 72 HB THR 72 -4.386 -12.003 5.205 596 HG1 THR 72 HG1 THR 72 -2.165 -13.793 5.128 597 HG21 THR 72 3HG2 THR 72 -3.238 -10.833 3.335 598 HG22 THR 72 1HG2 THR 72 -3.668 -12.492 2.894 599 HG23 THR 72 2HG2 THR 72 -2.001 -12.092 3.309 600 H ILE 73 H ILE 73 -4.531 -10.154 6.841 601 HA ILE 73 HA ILE 73 -4.655 -7.828 5.311 602 HB ILE 73 HB ILE 73 -5.778 -8.377 8.093 603 HG12 ILE 73 2HG1 ILE 73 -7.072 -8.465 5.326 604 HG13 ILE 73 1HG1 ILE 73 -6.691 -9.849 6.348 605 HG21 ILE 73 1HG2 ILE 73 -7.300 -6.440 7.766 606 HG22 ILE 73 2HG2 ILE 73 -6.445 -6.023 6.283 607 HG23 ILE 73 3HG2 ILE 73 -5.610 -5.940 7.831 608 HD11 ILE 73 3HD1 ILE 73 -9.051 -9.373 6.407 609 HD12 ILE 73 1HD1 ILE 73 -8.745 -7.714 6.921 610 HD13 ILE 73 2HD1 ILE 73 -8.345 -9.058 7.992 611 H GLU 74 H GLU 74 -3.311 -8.322 8.584 612 HA GLU 74 HA GLU 74 -2.670 -5.694 9.220 613 HB2 GLU 74 2HB GLU 74 -2.542 -7.547 10.856 614 HB3 GLU 74 1HB GLU 74 -1.141 -8.211 10.020 615 HG2 GLU 74 2HG GLU 74 0.137 -6.140 10.566 616 HG3 GLU 74 1HG GLU 74 -1.266 -5.527 11.441 617 H LYS 75 H LYS 75 -0.720 -8.090 7.437 618 HA LYS 75 HA LYS 75 1.685 -6.564 7.328 619 HB2 LYS 75 2HB LYS 75 0.741 -8.892 5.611 620 HB3 LYS 75 1HB LYS 75 2.367 -8.206 5.534 621 HG2 LYS 75 2HG LYS 75 2.730 -8.810 7.903 622 HG3 LYS 75 1HG LYS 75 1.108 -9.510 7.976 623 HD2 LYS 75 2HD LYS 75 3.373 -10.454 6.172 624 HD3 LYS 75 1HD LYS 75 2.865 -11.235 7.673 625 HE2 LYS 75 2HE LYS 75 0.649 -11.703 6.674 626 HE3 LYS 75 1HE LYS 75 1.152 -10.909 5.178 627 HZ1 LYS 75 3HZ LYS 75 2.926 -12.563 4.986 628 HZ2 LYS 75 1HZ LYS 75 1.386 -13.249 4.951 629 HZ3 LYS 75 2HZ LYS 75 2.327 -13.365 6.347 630 H ILE 76 H ILE 76 -0.936 -7.105 4.952 631 HA ILE 76 HA ILE 76 0.345 -5.651 2.849 632 HB ILE 76 HB ILE 76 -1.697 -5.908 1.558 633 HG12 ILE 76 2HG1 ILE 76 -3.037 -6.721 4.176 634 HG13 ILE 76 1HG1 ILE 76 -3.442 -5.333 3.175 635 HG21 ILE 76 1HG2 ILE 76 -0.274 -7.906 1.841 636 HG22 ILE 76 2HG2 ILE 76 -1.959 -8.349 1.605 637 HG23 ILE 76 3HG2 ILE 76 -1.247 -8.418 3.219 638 HD11 ILE 76 3HD1 ILE 76 -5.092 -7.065 2.932 639 HD12 ILE 76 1HD1 ILE 76 -3.864 -8.239 2.480 640 HD13 ILE 76 2HD1 ILE 76 -4.220 -6.876 1.414 641 H ILE 77 H ILE 77 -1.995 -4.764 5.335 642 HA ILE 77 HA ILE 77 -2.523 -2.096 4.617 643 HB ILE 77 HB ILE 77 -2.362 -3.438 7.355 644 HG12 ILE 77 2HG1 ILE 77 -4.172 -4.346 5.996 645 HG13 ILE 77 1HG1 ILE 77 -4.876 -3.368 7.271 646 HG21 ILE 77 1HG2 ILE 77 -1.988 -1.069 7.739 647 HG22 ILE 77 2HG2 ILE 77 -3.594 -1.513 8.314 648 HG23 ILE 77 3HG2 ILE 77 -3.412 -0.647 6.787 649 HD11 ILE 77 3HD1 ILE 77 -4.570 -2.615 4.374 650 HD12 ILE 77 1HD1 ILE 77 -5.214 -1.562 5.635 651 HD13 ILE 77 2HD1 ILE 77 -6.057 -3.051 5.216 652 H LYS 78 H LYS 78 0.127 -3.544 6.539 653 HA LYS 78 HA LYS 78 1.397 -1.095 7.273 654 HB2 LYS 78 2HB LYS 78 2.553 -3.911 7.144 655 HB3 LYS 78 1HB LYS 78 3.410 -2.526 7.809 656 HG2 LYS 78 2HG LYS 78 0.884 -3.792 8.896 657 HG3 LYS 78 1HG LYS 78 2.496 -3.855 9.607 658 HD2 LYS 78 2HD LYS 78 2.394 -1.368 9.937 659 HD3 LYS 78 1HD LYS 78 0.740 -1.380 9.312 660 HE2 LYS 78 2HE LYS 78 0.699 -1.344 11.749 661 HE3 LYS 78 1HE LYS 78 0.083 -2.896 11.181 662 HZ1 LYS 78 3HZ LYS 78 1.610 -3.153 13.037 663 HZ2 LYS 78 1HZ LYS 78 2.841 -2.391 12.163 664 HZ3 LYS 78 2HZ LYS 78 2.236 -3.880 11.645 665 H VAL 79 H VAL 79 1.733 -3.212 4.449 666 HA VAL 79 HA VAL 79 4.178 -2.134 3.442 667 HB VAL 79 HB VAL 79 1.962 -3.558 1.882 668 HG11 VAL 79 1HG1 VAL 79 3.737 -4.097 0.231 669 HG12 VAL 79 2HG1 VAL 79 4.883 -3.119 1.147 670 HG13 VAL 79 3HG1 VAL 79 3.493 -2.354 0.378 671 HG21 VAL 79 3HG2 VAL 79 3.311 -5.617 2.177 672 HG22 VAL 79 1HG2 VAL 79 2.801 -4.956 3.730 673 HG23 VAL 79 2HG2 VAL 79 4.457 -4.724 3.179 674 H ILE 80 H ILE 80 0.753 -1.409 2.802 675 HA ILE 80 HA ILE 80 1.072 0.680 0.920 676 HB ILE 80 HB ILE 80 -1.149 0.305 2.983 677 HG12 ILE 80 2HG1 ILE 80 -1.045 -0.600 0.066 678 HG13 ILE 80 1HG1 ILE 80 -0.888 -1.654 1.469 679 HG21 ILE 80 1HG2 ILE 80 -2.565 1.697 1.502 680 HG22 ILE 80 2HG2 ILE 80 -1.182 1.988 0.444 681 HG23 ILE 80 3HG2 ILE 80 -1.173 2.601 2.098 682 HD11 ILE 80 3HD1 ILE 80 -3.189 -1.091 2.132 683 HD12 ILE 80 1HD1 ILE 80 -3.102 -1.794 0.518 684 HD13 ILE 80 2HD1 ILE 80 -3.334 -0.059 0.705 685 H ARG 81 H ARG 81 0.884 0.662 4.454 686 HA ARG 81 HA ARG 81 1.040 3.430 4.923 687 HB2 ARG 81 2HB ARG 81 1.916 1.105 6.684 688 HB3 ARG 81 1HB ARG 81 1.869 2.782 7.230 689 HG2 ARG 81 2HG ARG 81 -0.546 2.877 6.891 690 HG3 ARG 81 1HG ARG 81 -0.549 1.245 6.216 691 HD2 ARG 81 2HD ARG 81 -1.340 1.186 8.514 692 HD3 ARG 81 1HD ARG 81 0.219 0.367 8.411 693 HE ARG 81 HE ARG 81 1.258 2.275 9.437 694 HH11 ARG 81 1HH1 ARG 81 -2.267 2.405 9.571 695 HH12 ARG 81 2HH1 ARG 81 -2.282 3.476 10.935 696 HH21 ARG 81 1HH2 ARG 81 1.197 3.659 11.201 697 HH22 ARG 81 2HH2 ARG 81 -0.321 4.182 11.860 698 H ASN 82 H ASN 82 3.626 0.995 4.595 699 HA ASN 82 HA ASN 82 5.794 2.616 5.371 700 HB2 ASN 82 2HB ASN 82 5.525 -0.017 3.948 701 HB3 ASN 82 1HB ASN 82 7.060 0.812 3.752 702 HD21 ASN 82 1HD2 ASN 82 5.059 -0.963 5.928 703 HD22 ASN 82 2HD2 ASN 82 6.174 -1.036 7.235 704 H SER 83 H SER 83 4.306 2.124 2.207 705 HA SER 83 HA SER 83 6.277 3.614 0.737 706 HB2 SER 83 2HB SER 83 4.548 3.477 -1.125 707 HB3 SER 83 1HB SER 83 5.038 1.920 -0.451 708 HG SER 83 HG SER 83 2.911 1.765 -0.403 709 H LEU 84 H LEU 84 3.035 4.359 2.056 710 HA LEU 84 HA LEU 84 2.935 7.006 0.946 711 HB2 LEU 84 2HB LEU 84 1.227 5.589 2.999 712 HB3 LEU 84 1HB LEU 84 0.920 7.246 2.505 713 HG LEU 84 HG LEU 84 0.880 4.843 0.629 714 HD11 LEU 84 1HD1 LEU 84 -1.552 5.192 0.540 715 HD12 LEU 84 2HD1 LEU 84 -1.425 6.438 1.785 716 HD13 LEU 84 3HD1 LEU 84 -1.004 4.764 2.155 717 HD21 LEU 84 3HD2 LEU 84 0.152 7.746 0.107 718 HD22 LEU 84 1HD2 LEU 84 -0.073 6.405 -1.024 719 HD23 LEU 84 2HD2 LEU 84 1.551 6.883 -0.539 720 H GLU 85 H GLU 85 4.045 5.759 4.054 721 HA GLU 85 HA GLU 85 4.380 8.239 5.420 722 HB2 GLU 85 2HB GLU 85 5.924 5.614 5.697 723 HB3 GLU 85 1HB GLU 85 6.119 6.978 6.793 724 HG2 GLU 85 2HG GLU 85 3.534 5.461 6.373 725 HG3 GLU 85 1HG GLU 85 4.679 5.122 7.660 726 H HIS 86 H HIS 86 6.295 6.303 3.229 727 HA HIS 86 HA HIS 86 8.675 7.885 3.251 728 HB2 HIS 86 2HB HIS 86 8.578 5.428 2.705 729 HB3 HIS 86 1HB HIS 86 7.742 5.824 1.208 730 HD1 HIS 86 HD1 HIS 86 10.999 6.977 2.852 731 HD2 HIS 86 HD2 HIS 86 9.516 5.764 -0.837 732 HE1 HIS 86 HE1 HIS 86 12.955 7.061 1.281 733 HE2 HIS 86 HE2 HIS 86 12.030 6.307 -0.942 734 H ALA 87 H ALA 87 5.669 7.937 1.435 735 HA ALA 87 HA ALA 87 6.567 9.625 -0.708 736 HB1 ALA 87 3HB ALA 87 4.629 8.137 -0.978 737 HB2 ALA 87 1HB ALA 87 4.184 9.818 -1.288 738 HB3 ALA 87 2HB ALA 87 3.744 9.053 0.243 739 H ILE 88 H ILE 88 5.035 10.234 2.463 740 HA ILE 88 HA ILE 88 4.840 13.071 2.252 741 HB ILE 88 HB ILE 88 5.264 11.382 4.766 742 HG12 ILE 88 2HG1 ILE 88 2.703 12.524 3.556 743 HG13 ILE 88 1HG1 ILE 88 3.154 10.823 3.608 744 HG21 ILE 88 1HG2 ILE 88 4.456 13.337 6.057 745 HG22 ILE 88 2HG2 ILE 88 4.377 14.290 4.575 746 HG23 ILE 88 3HG2 ILE 88 5.937 13.727 5.179 747 HD11 ILE 88 3HD1 ILE 88 1.459 11.405 5.265 748 HD12 ILE 88 1HD1 ILE 88 2.567 12.548 6.016 749 HD13 ILE 88 2HD1 ILE 88 2.936 10.818 6.027 750 H ASP 89 H ASP 89 7.395 10.889 3.286 751 HA ASP 89 HA ASP 89 9.361 12.768 4.036 752 HB2 ASP 89 2HB ASP 89 9.478 10.410 4.686 753 HB3 ASP 89 1HB ASP 89 9.584 9.912 3.000 754 H LEU 90 H LEU 90 8.455 11.430 0.892 755 HA LEU 90 HA LEU 90 10.608 12.822 -0.534 756 HB2 LEU 90 2HB LEU 90 8.321 11.121 -1.610 757 HB3 LEU 90 1HB LEU 90 9.653 11.758 -2.564 758 HG LEU 90 HG LEU 90 9.822 9.618 -0.408 759 HD11 LEU 90 1HD1 LEU 90 10.321 9.440 -3.390 760 HD12 LEU 90 2HD1 LEU 90 8.928 8.798 -2.514 761 HD13 LEU 90 3HD1 LEU 90 10.532 8.135 -2.216 762 HD21 LEU 90 3HD2 LEU 90 12.222 9.439 -0.917 763 HD22 LEU 90 1HD2 LEU 90 11.810 11.010 -0.234 764 HD23 LEU 90 2HD2 LEU 90 12.109 10.855 -1.968 765 H GLU 91 H GLU 91 7.732 13.743 0.759 766 HA GLU 91 HA GLU 91 6.377 15.538 0.641 767 HB2 GLU 91 2HB GLU 91 8.509 16.670 -1.218 768 HB3 GLU 91 1HB GLU 91 7.247 17.613 -0.426 769 HG2 GLU 91 2HG GLU 91 8.184 17.065 1.773 770 HG3 GLU 91 1HG GLU 91 9.425 16.062 1.014 771 H LEU 92 H LEU 92 6.339 13.391 -1.550 772 HA LEU 92 HA LEU 92 5.095 14.540 -3.867 773 HB2 LEU 92 2HB LEU 92 5.074 11.711 -2.747 774 HB3 LEU 92 1HB LEU 92 4.473 12.160 -4.343 775 HG LEU 92 HG LEU 92 7.364 12.438 -3.428 776 HD11 LEU 92 1HD1 LEU 92 6.716 10.085 -3.659 777 HD12 LEU 92 2HD1 LEU 92 7.856 10.562 -4.913 778 HD13 LEU 92 3HD1 LEU 92 6.143 10.388 -5.303 779 HD21 LEU 92 3HD2 LEU 92 6.756 14.141 -5.089 780 HD22 LEU 92 1HD2 LEU 92 6.136 12.892 -6.172 781 HD23 LEU 92 2HD2 LEU 92 7.858 12.956 -5.780 782 H ILE 93 H ILE 93 4.104 13.477 -0.737 783 HA ILE 93 HA ILE 93 1.450 14.669 -1.153 784 HB ILE 93 HB ILE 93 0.390 12.993 0.382 785 HG12 ILE 93 2HG1 ILE 93 2.982 11.417 0.042 786 HG13 ILE 93 1HG1 ILE 93 2.432 12.162 1.532 787 HG21 ILE 93 1HG2 ILE 93 0.148 11.175 -1.256 788 HG22 ILE 93 2HG2 ILE 93 1.581 11.743 -2.117 789 HG23 ILE 93 3HG2 ILE 93 0.137 12.752 -2.047 790 HD11 ILE 93 3HD1 ILE 93 2.048 9.778 1.553 791 HD12 ILE 93 1HD1 ILE 93 1.086 9.888 0.083 792 HD13 ILE 93 2HD1 ILE 93 0.506 10.636 1.575 793 H THR 94 H THR 94 0.793 15.883 0.606 794 HA THR 94 HA THR 94 2.859 16.637 2.530 795 HB THR 94 HB THR 94 1.186 18.456 3.159 796 HG1 THR 94 HG1 THR 94 -0.753 17.554 2.518 797 HG21 THR 94 3HG2 THR 94 1.919 18.324 0.201 798 HG22 THR 94 1HG2 THR 94 2.966 18.919 1.494 799 HG23 THR 94 2HG2 THR 94 1.481 19.782 1.094 800 H LYS 95 H LYS 95 0.015 14.713 2.360 801 HA LYS 95 HA LYS 95 0.423 13.731 5.057 802 HB2 LYS 95 2HB LYS 95 -1.210 15.606 5.370 803 HB3 LYS 95 1HB LYS 95 -2.290 14.860 4.192 804 HG2 LYS 95 2HG LYS 95 -2.582 12.910 5.661 805 HG3 LYS 95 1HG LYS 95 -1.447 13.597 6.827 806 HD2 LYS 95 2HD LYS 95 -2.982 15.480 7.233 807 HD3 LYS 95 1HD LYS 95 -4.108 14.841 6.027 808 HE2 LYS 95 2HE LYS 95 -4.462 12.833 7.391 809 HE3 LYS 95 1HE LYS 95 -3.279 13.399 8.570 810 HZ1 LYS 95 3HZ LYS 95 -5.544 13.812 9.267 811 HZ2 LYS 95 1HZ LYS 95 -5.814 14.765 7.900 812 HZ3 LYS 95 2HZ LYS 95 -4.692 15.256 9.063 813 H ASN 96 H ASN 96 -0.321 11.607 5.279 814 HA ASN 96 HA ASN 96 -1.530 10.347 2.896 815 HB2 ASN 96 2HB ASN 96 -0.533 8.220 3.553 816 HB3 ASN 96 1HB ASN 96 0.714 9.448 3.463 817 HD21 ASN 96 1HD2 ASN 96 2.180 8.528 4.780 818 HD22 ASN 96 2HD2 ASN 96 1.931 8.211 6.448 819 H VAL 97 H VAL 97 -3.157 8.832 3.210 820 HA VAL 97 HA VAL 97 -4.764 9.062 5.673 821 HB VAL 97 HB VAL 97 -6.551 7.935 4.340 822 HG11 VAL 97 1HG1 VAL 97 -6.381 10.413 4.317 823 HG12 VAL 97 2HG1 VAL 97 -7.001 9.803 2.782 824 HG13 VAL 97 3HG1 VAL 97 -5.320 10.331 2.904 825 HG21 VAL 97 3HG2 VAL 97 -6.237 7.511 1.924 826 HG22 VAL 97 1HG2 VAL 97 -5.095 6.562 2.875 827 HG23 VAL 97 2HG2 VAL 97 -4.549 8.018 2.043 828 H ALA 98 H ALA 98 -2.194 7.386 5.048 829 HA ALA 98 HA ALA 98 -3.003 4.614 5.314 830 HB1 ALA 98 3HB ALA 98 -0.244 5.872 5.345 831 HB2 ALA 98 1HB ALA 98 -1.064 5.226 3.928 832 HB3 ALA 98 2HB ALA 98 -0.597 4.145 5.237 833 H ALA 99 H ALA 99 -1.803 7.233 7.285 834 HA ALA 99 HA ALA 99 -1.068 5.891 9.638 835 HB1 ALA 99 3HB ALA 99 -2.257 8.672 9.324 836 HB2 ALA 99 1HB ALA 99 -0.546 8.257 9.190 837 HB3 ALA 99 2HB ALA 99 -1.378 8.079 10.738 838 H LYS 100 H LYS 100 -4.210 6.813 8.357 839 HA LYS 100 HA LYS 100 -5.755 6.193 10.724 840 HB2 LYS 100 2HB LYS 100 -6.570 6.729 7.835 841 HB3 LYS 100 1HB LYS 100 -7.718 6.482 9.146 842 HG2 LYS 100 2HG LYS 100 -5.718 8.759 8.940 843 HG3 LYS 100 1HG LYS 100 -7.455 8.856 8.619 844 HD2 LYS 100 2HD LYS 100 -7.815 8.100 11.043 845 HD3 LYS 100 1HD LYS 100 -6.085 8.345 11.290 846 HE2 LYS 100 2HE LYS 100 -7.316 10.296 12.069 847 HE3 LYS 100 1HE LYS 100 -6.371 10.742 10.649 848 HZ1 LYS 100 3HZ LYS 100 -9.257 10.038 10.609 849 HZ2 LYS 100 1HZ LYS 100 -8.344 10.595 9.303 850 HZ3 LYS 100 2HZ LYS 100 -8.655 11.619 10.615 851 H THR 101 H THR 101 -4.495 4.413 8.027 852 HA THR 101 HA THR 101 -6.529 2.378 7.896 853 HB THR 101 HB THR 101 -3.722 2.103 6.733 854 HG1 THR 101 HG1 THR 101 -4.861 3.160 4.852 855 HG21 THR 101 3HG2 THR 101 -4.894 0.892 4.929 856 HG22 THR 101 1HG2 THR 101 -6.449 1.195 5.707 857 HG23 THR 101 2HG2 THR 101 -5.259 0.151 6.487 858 H LYS 102 H LYS 102 -6.741 1.334 9.819 859 HA LYS 102 HA LYS 102 -4.394 -0.014 11.038 860 HB2 LYS 102 2HB LYS 102 -5.768 -0.144 13.110 861 HB3 LYS 102 1HB LYS 102 -5.508 1.515 12.588 862 HG2 LYS 102 2HG LYS 102 -7.776 1.669 11.733 863 HG3 LYS 102 1HG LYS 102 -8.048 -0.045 12.030 864 HD2 LYS 102 2HD LYS 102 -9.170 1.270 13.745 865 HD3 LYS 102 1HD LYS 102 -7.864 0.344 14.477 866 HE2 LYS 102 2HE LYS 102 -7.517 3.253 13.685 867 HE3 LYS 102 1HE LYS 102 -8.185 2.787 15.247 868 HZ1 LYS 102 3HZ LYS 102 -6.112 1.508 15.633 869 HZ2 LYS 102 1HZ LYS 102 -5.873 3.177 15.493 870 HZ3 LYS 102 2HZ LYS 102 -5.478 2.163 14.205 871 H LEU 103 H LEU 103 -4.769 -2.152 11.967 872 HA LEU 103 HA LEU 103 -6.671 -3.889 10.610 873 HB2 LEU 103 2HB LEU 103 -4.441 -4.783 11.180 874 HB3 LEU 103 1HB LEU 103 -4.682 -4.385 12.873 875 HG LEU 103 HG LEU 103 -6.528 -6.083 12.978 876 HD11 LEU 103 1HD1 LEU 103 -6.805 -7.740 11.204 877 HD12 LEU 103 2HD1 LEU 103 -5.675 -6.857 10.176 878 HD13 LEU 103 3HD1 LEU 103 -7.214 -6.123 10.639 879 HD21 LEU 103 3HD2 LEU 103 -4.274 -6.690 13.732 880 HD22 LEU 103 1HD2 LEU 103 -3.853 -7.216 12.098 881 HD23 LEU 103 2HD2 LEU 103 -5.095 -8.076 13.014 882 HA PRO 104 HA PRO 104 -9.680 -2.768 13.919 883 HB2 PRO 104 2HB PRO 104 -11.880 -3.957 12.829 884 HB3 PRO 104 1HB PRO 104 -11.226 -2.441 12.182 885 HG2 PRO 104 2HG PRO 104 -10.794 -5.267 11.191 886 HG3 PRO 104 1HG PRO 104 -11.204 -3.816 10.252 887 HD2 PRO 104 2HD PRO 104 -8.654 -4.757 10.439 888 HD3 PRO 104 1HD PRO 104 -9.007 -3.021 10.281 889 H LYS 105 H LYS 105 -11.298 -4.179 15.233 890 HA LYS 105 HA LYS 105 -9.984 -6.476 16.310 891 HB2 LYS 105 2HB LYS 105 -12.812 -5.457 16.821 892 HB3 LYS 105 1HB LYS 105 -11.973 -6.664 17.791 893 HG2 LYS 105 2HG LYS 105 -10.266 -4.930 18.392 894 HG3 LYS 105 1HG LYS 105 -11.196 -3.740 17.482 895 HD2 LYS 105 2HD LYS 105 -11.866 -3.375 19.719 896 HD3 LYS 105 1HD LYS 105 -13.177 -4.340 19.051 897 HE2 LYS 105 2HE LYS 105 -10.918 -5.379 20.801 898 HE3 LYS 105 1HE LYS 105 -12.566 -5.070 21.333 899 HZ1 LYS 105 3HZ LYS 105 -11.689 -7.120 19.380 900 HZ2 LYS 105 1HZ LYS 105 -13.301 -6.795 19.772 901 HZ3 LYS 105 2HZ LYS 105 -12.249 -7.390 20.949 902 H ALA 106 H ALA 106 -9.757 -7.790 14.486 903 HA ALA 106 HA ALA 106 -11.960 -8.708 12.883 904 HB1 ALA 106 3HB ALA 106 -10.267 -10.080 11.740 905 HB2 ALA 106 1HB ALA 106 -9.088 -9.703 12.999 906 HB3 ALA 106 2HB ALA 106 -9.697 -8.424 11.947 907 H ASP 107 H ASP 107 -12.662 -10.904 12.665 908 HA ASP 107 HA ASP 107 -13.498 -12.113 15.021 909 HB2 ASP 107 2HB ASP 107 -14.676 -12.379 12.879 910 HB3 ASP 107 1HB ASP 107 -13.322 -13.281 12.214 911 H LYS 108 H LYS 108 -12.290 -13.099 16.479 912 HA LYS 108 HA LYS 108 -10.756 -15.433 15.901 913 HB2 LYS 108 2HB LYS 108 -9.104 -13.529 15.408 914 HB3 LYS 108 1HB LYS 108 -9.214 -13.085 17.100 915 HG2 LYS 108 2HG LYS 108 -7.233 -14.320 17.011 916 HG3 LYS 108 1HG LYS 108 -8.395 -15.513 17.583 917 HD2 LYS 108 2HD LYS 108 -7.606 -15.234 14.655 918 HD3 LYS 108 1HD LYS 108 -6.742 -16.280 15.775 919 HE2 LYS 108 2HE LYS 108 -8.752 -17.648 16.098 920 HE3 LYS 108 1HE LYS 108 -9.693 -16.547 15.096 921 HZ1 LYS 108 3HZ LYS 108 -8.284 -17.112 13.228 922 HZ2 LYS 108 1HZ LYS 108 -9.053 -18.478 13.858 923 HZ3 LYS 108 2HZ LYS 108 -7.416 -18.201 14.186 924 H GLU 109 H GLU 109 -10.684 -16.732 17.700 925 HA GLU 109 HA GLU 109 -12.424 -16.250 19.876 926 HB2 GLU 109 2HB GLU 109 -11.556 -18.438 20.727 927 HB3 GLU 109 1HB GLU 109 -12.001 -18.489 19.024 928 HG2 GLU 109 2HG GLU 109 -9.510 -18.090 18.526 929 HG3 GLU 109 1HG GLU 109 -9.227 -18.464 20.225 930 H GLU 110 H GLU 110 -11.709 -16.549 22.261 931 HA GLU 110 HA GLU 110 -9.793 -14.348 22.778 932 HB2 GLU 110 2HB GLU 110 -11.167 -13.959 24.841 933 HB3 GLU 110 1HB GLU 110 -12.107 -13.818 23.359 934 HG2 GLU 110 2HG GLU 110 -13.059 -16.046 23.704 935 HG3 GLU 110 1HG GLU 110 -12.058 -16.275 25.137 936 H LEU 111 H LEU 111 -9.102 -17.349 22.658 937 HA LEU 111 HA LEU 111 -8.590 -18.282 25.298 938 HB2 LEU 111 2HB LEU 111 -7.150 -19.018 22.726 939 HB3 LEU 111 1HB LEU 111 -7.013 -19.891 24.243 940 HG LEU 111 HG LEU 111 -9.422 -19.747 22.390 941 HD11 LEU 111 1HD1 LEU 111 -9.172 -22.180 22.301 942 HD12 LEU 111 2HD1 LEU 111 -7.789 -22.100 23.396 943 HD13 LEU 111 3HD1 LEU 111 -7.692 -21.373 21.790 944 HD21 LEU 111 3HD2 LEU 111 -9.366 -20.926 25.192 945 HD22 LEU 111 1HD2 LEU 111 -10.670 -21.127 24.014 946 HD23 LEU 111 2HD2 LEU 111 -10.302 -19.530 24.656 947 H GLU 112 H GLU 112 -6.744 -16.269 23.085 948 HA GLU 112 HA GLU 112 -4.263 -16.141 24.459 949 HB2 GLU 112 2HB GLU 112 -5.591 -14.090 22.637 950 HB3 GLU 112 1HB GLU 112 -3.890 -14.068 23.105 951 HG2 GLU 112 2HG GLU 112 -3.511 -16.184 21.940 952 HG3 GLU 112 1HG GLU 112 -5.223 -16.304 21.545 953 H HIS 113 H HIS 113 -7.312 -14.736 25.162 954 HA HIS 113 HA HIS 113 -6.314 -12.535 26.819 955 HB2 HIS 113 2HB HIS 113 -9.152 -13.478 26.203 956 HB3 HIS 113 1HB HIS 113 -8.760 -12.060 27.169 957 HD1 HIS 113 HD1 HIS 113 -9.568 -10.206 25.753 958 HD2 HIS 113 HD2 HIS 113 -7.306 -12.917 23.574 959 HE1 HIS 113 HE1 HIS 113 -9.345 -9.203 23.474 960 HE2 HIS 113 HE2 HIS 113 -7.791 -10.757 22.242 961 H HIS 114 H HIS 114 -7.092 -15.847 27.208 962 HA HIS 114 HA HIS 114 -8.230 -15.673 29.884 963 HB2 HIS 114 2HB HIS 114 -7.474 -18.102 28.204 964 HB3 HIS 114 1HB HIS 114 -8.314 -18.169 29.752 965 HD1 HIS 114 HD1 HIS 114 -9.491 -19.290 27.085 966 HD2 HIS 114 HD2 HIS 114 -10.400 -15.586 28.735 967 HE1 HIS 114 HE1 HIS 114 -11.746 -18.684 26.178 968 HE2 HIS 114 HE2 HIS 114 -12.346 -16.537 27.342 969 H HIS 115 H HIS 115 -7.011 -15.523 31.640 970 HA HIS 115 HA HIS 115 -4.921 -17.344 32.256 971 HB2 HIS 115 2HB HIS 115 -3.075 -15.684 32.636 972 HB3 HIS 115 1HB HIS 115 -3.490 -15.864 30.941 973 HD1 HIS 115 HD1 HIS 115 -3.148 -13.377 33.598 974 HD2 HIS 115 HD2 HIS 115 -4.923 -13.563 29.851 975 HE1 HIS 115 HE1 HIS 115 -3.560 -10.992 32.937 976 HE2 HIS 115 HE2 HIS 115 -4.493 -11.125 30.601 977 H HIS 116 H HIS 116 -6.083 -17.876 34.031 978 HA HIS 116 HA HIS 116 -7.483 -15.870 35.613 979 HB2 HIS 116 2HB HIS 116 -7.375 -18.906 35.893 980 HB3 HIS 116 1HB HIS 116 -8.403 -17.845 36.850 981 HD1 HIS 116 HD1 HIS 116 -10.742 -17.744 35.998 982 HD2 HIS 116 HD2 HIS 116 -8.040 -18.539 32.941 983 HE1 HIS 116 HE1 HIS 116 -12.130 -18.097 33.938 984 HE2 HIS 116 HE2 HIS 116 -10.461 -18.349 32.075 985 H HIS 117 H HIS 117 -5.483 -18.641 36.648 986 HA HIS 117 HA HIS 117 -4.319 -17.104 38.877 987 HB2 HIS 117 2HB HIS 117 -5.352 -19.347 39.328 988 HB3 HIS 117 1HB HIS 117 -4.207 -20.097 38.225 989 HD1 HIS 117 HD1 HIS 117 -2.594 -21.384 39.607 990 HD2 HIS 117 HD2 HIS 117 -3.554 -17.746 41.366 991 HE1 HIS 117 HE1 HIS 117 -1.191 -21.249 41.685 992 HE2 HIS 117 HE2 HIS 117 -1.739 -19.009 42.697 993 H HIS 118 H HIS 118 -3.666 -17.208 35.785 994 HA HIS 118 HA HIS 118 -0.768 -17.736 35.935 995 HB2 HIS 118 2HB HIS 118 -2.013 -19.020 34.190 996 HB3 HIS 118 1HB HIS 118 -2.559 -17.512 33.466 997 HD1 HIS 118 HD1 HIS 118 -0.864 -16.192 32.062 998 HD2 HIS 118 HD2 HIS 118 0.701 -19.685 33.673 999 HE1 HIS 118 HE1 HIS 118 1.326 -16.545 30.893 1000 HE2 HIS 118 HE2 HIS 118 2.158 -18.754 31.756 Start of MODEL 12 1 H1 MET 1 1H MET 1 8.263 20.749 -8.417 2 H2 MET 1 2H MET 1 9.782 21.101 -7.764 3 H3 MET 1 3H MET 1 9.341 19.498 -8.058 4 HA MET 1 HA MET 1 9.738 21.601 -10.094 5 HB2 MET 1 2HB MET 1 11.717 20.298 -10.811 6 HB3 MET 1 1HB MET 1 11.878 20.873 -9.159 7 HG2 MET 1 2HG MET 1 11.525 18.688 -8.263 8 HG3 MET 1 1HG MET 1 10.977 18.054 -9.812 9 HE1 MET 1 3HE MET 1 14.291 17.904 -11.887 10 HE2 MET 1 1HE MET 1 13.103 19.210 -11.884 11 HE3 MET 1 2HE MET 1 12.570 17.528 -11.856 12 H GLU 2 H GLU 2 8.407 18.481 -9.328 13 HA GLU 2 HA GLU 2 7.700 18.027 -12.180 14 HB2 GLU 2 2HB GLU 2 9.418 16.398 -11.397 15 HB3 GLU 2 1HB GLU 2 8.363 15.914 -10.074 16 HG2 GLU 2 2HG GLU 2 6.710 15.052 -11.699 17 HG3 GLU 2 1HG GLU 2 7.752 15.558 -13.029 18 HA PRO 3 HA PRO 3 3.443 18.277 -10.534 19 HB2 PRO 3 2HB PRO 3 2.174 17.161 -12.750 20 HB3 PRO 3 1HB PRO 3 2.685 18.854 -12.652 21 HG2 PRO 3 2HG PRO 3 4.119 16.506 -13.906 22 HG3 PRO 3 1HG PRO 3 3.854 18.137 -14.567 23 HD2 PRO 3 2HD PRO 3 6.214 17.504 -13.479 24 HD3 PRO 3 1HD PRO 3 5.500 19.107 -13.179 25 H SER 4 H SER 4 1.506 16.653 -10.439 26 HA SER 4 HA SER 4 2.529 14.311 -9.040 27 HB2 SER 4 2HB SER 4 -0.341 15.315 -9.278 28 HB3 SER 4 1HB SER 4 0.282 14.165 -8.089 29 HG SER 4 HG SER 4 1.543 15.838 -7.217 30 H LYS 5 H LYS 5 2.954 13.976 -11.751 31 HA LYS 5 HA LYS 5 0.909 12.509 -13.129 32 HB2 LYS 5 2HB LYS 5 3.910 12.671 -13.672 33 HB3 LYS 5 1HB LYS 5 2.707 12.028 -14.783 34 HG2 LYS 5 2HG LYS 5 2.859 14.899 -13.827 35 HG3 LYS 5 1HG LYS 5 3.450 14.308 -15.380 36 HD2 LYS 5 2HD LYS 5 0.549 14.291 -14.450 37 HD3 LYS 5 1HD LYS 5 1.263 15.433 -15.591 38 HE2 LYS 5 2HE LYS 5 0.935 12.440 -16.013 39 HE3 LYS 5 1HE LYS 5 -0.011 13.713 -16.781 40 HZ1 LYS 5 3HZ LYS 5 2.904 13.236 -17.146 41 HZ2 LYS 5 1HZ LYS 5 2.029 14.510 -17.836 42 HZ3 LYS 5 2HZ LYS 5 1.684 12.910 -18.267 43 H LEU 6 H LEU 6 3.140 11.679 -10.692 44 HA LEU 6 HA LEU 6 3.576 8.920 -11.301 45 HB2 LEU 6 2HB LEU 6 5.037 10.383 -9.866 46 HB3 LEU 6 1HB LEU 6 3.775 10.405 -8.646 47 HG LEU 6 HG LEU 6 4.059 7.978 -8.278 48 HD11 LEU 6 1HD1 LEU 6 6.280 8.108 -10.335 49 HD12 LEU 6 2HD1 LEU 6 4.737 7.270 -10.516 50 HD13 LEU 6 3HD1 LEU 6 5.897 6.723 -9.308 51 HD21 LEU 6 3HD2 LEU 6 6.668 9.531 -8.115 52 HD22 LEU 6 1HD2 LEU 6 6.283 8.062 -7.212 53 HD23 LEU 6 2HD2 LEU 6 5.371 9.540 -6.917 54 H SER 7 H SER 7 1.914 7.526 -11.386 55 HA SER 7 HA SER 7 -0.414 7.576 -9.670 56 HB2 SER 7 2HB SER 7 0.638 5.215 -11.304 57 HB3 SER 7 1HB SER 7 -1.010 5.451 -10.708 58 HG SER 7 HG SER 7 0.053 6.252 -13.003 59 H TYR 8 H TYR 8 -0.888 5.815 -8.065 60 HA TYR 8 HA TYR 8 1.240 5.570 -6.208 61 HB2 TYR 8 2HB TYR 8 -1.159 5.643 -5.548 62 HB3 TYR 8 1HB TYR 8 -1.385 4.032 -6.224 63 HD1 TYR 8 HD1 TYR 8 1.382 5.443 -4.106 64 HD2 TYR 8 HD2 TYR 8 -1.780 2.579 -4.349 65 HE1 TYR 8 HE1 TYR 8 2.071 4.508 -1.950 66 HE2 TYR 8 HE2 TYR 8 -1.084 1.650 -2.173 67 HH TYR 8 HH TYR 8 1.151 3.222 -0.128 68 H GLY 9 H GLY 9 -0.164 3.267 -8.522 69 HA2 GLY 9 2HA GLY 9 1.245 0.934 -7.703 70 HA3 GLY 9 1HA GLY 9 0.562 1.218 -9.305 71 H GLU 10 H GLU 10 2.011 3.542 -9.911 72 HA GLU 10 HA GLU 10 4.442 2.523 -10.995 73 HB2 GLU 10 2HB GLU 10 3.310 5.344 -10.808 74 HB3 GLU 10 1HB GLU 10 4.728 4.913 -11.758 75 HG2 GLU 10 2HG GLU 10 1.981 3.711 -12.200 76 HG3 GLU 10 1HG GLU 10 2.574 5.130 -13.054 77 H TYR 11 H TYR 11 3.583 4.576 -8.254 78 HA TYR 11 HA TYR 11 6.203 5.340 -7.474 79 HB2 TYR 11 2HB TYR 11 4.282 6.617 -6.644 80 HB3 TYR 11 1HB TYR 11 3.625 5.189 -5.847 81 HD1 TYR 11 HD1 TYR 11 6.939 7.009 -5.888 82 HD2 TYR 11 HD2 TYR 11 3.881 5.218 -3.504 83 HE1 TYR 11 HE1 TYR 11 8.191 7.580 -3.858 84 HE2 TYR 11 HE2 TYR 11 5.134 5.800 -1.475 85 HH TYR 11 HH TYR 11 7.721 7.969 -1.466 86 H LEU 12 H LEU 12 4.073 2.642 -6.642 87 HA LEU 12 HA LEU 12 5.571 1.519 -4.536 88 HB2 LEU 12 2HB LEU 12 3.564 0.311 -6.463 89 HB3 LEU 12 1HB LEU 12 4.286 -0.625 -5.159 90 HG LEU 12 HG LEU 12 2.699 1.931 -4.688 91 HD11 LEU 12 1HD1 LEU 12 1.702 -0.929 -4.536 92 HD12 LEU 12 2HD1 LEU 12 1.214 0.302 -5.705 93 HD13 LEU 12 3HD1 LEU 12 0.822 0.508 -4.000 94 HD21 LEU 12 3HD2 LEU 12 3.600 -0.247 -2.769 95 HD22 LEU 12 1HD2 LEU 12 2.608 1.152 -2.354 96 HD23 LEU 12 2HD2 LEU 12 4.270 1.383 -2.890 97 H GLU 13 H GLU 13 5.895 1.248 -8.033 98 HA GLU 13 HA GLU 13 7.644 -0.979 -8.154 99 HB2 GLU 13 2HB GLU 13 7.509 1.432 -10.027 100 HB3 GLU 13 1HB GLU 13 8.331 -0.092 -10.382 101 HG2 GLU 13 2HG GLU 13 5.352 0.339 -10.002 102 HG3 GLU 13 1HG GLU 13 6.176 -0.035 -11.508 103 H SER 14 H SER 14 8.352 2.513 -8.180 104 HA SER 14 HA SER 14 11.182 2.296 -8.058 105 HB2 SER 14 2HB SER 14 10.032 4.300 -8.946 106 HB3 SER 14 1HB SER 14 9.363 4.641 -7.353 107 HG SER 14 HG SER 14 11.439 5.714 -8.162 108 H TRP 15 H TRP 15 8.713 2.860 -5.599 109 HA TRP 15 HA TRP 15 10.237 3.323 -3.312 110 HB2 TRP 15 2HB TRP 15 7.843 3.780 -3.268 111 HB3 TRP 15 1HB TRP 15 7.457 2.104 -3.637 112 HD1 TRP 15 HD1 TRP 15 8.670 4.315 -0.715 113 HE1 TRP 15 HE1 TRP 15 8.242 3.069 1.490 114 HE3 TRP 15 HE3 TRP 15 7.107 -0.189 -2.596 115 HZ2 TRP 15 HZ2 TRP 15 7.393 0.521 2.334 116 HZ3 TRP 15 HZ3 TRP 15 6.518 -1.985 -1.015 117 HH2 TRP 15 HH2 TRP 15 6.659 -1.634 1.406 118 H PHE 16 H PHE 16 8.919 0.296 -4.627 119 HA PHE 16 HA PHE 16 9.786 -1.440 -2.566 120 HB2 PHE 16 2HB PHE 16 7.948 -2.062 -4.040 121 HB3 PHE 16 1HB PHE 16 8.991 -1.978 -5.451 122 HD1 PHE 16 HD2 PHE 16 8.641 -3.829 -2.197 123 HD2 PHE 16 HD1 PHE 16 9.940 -3.949 -6.273 124 HE1 PHE 16 HE2 PHE 16 9.140 -6.223 -1.981 125 HE2 PHE 16 HE1 PHE 16 10.432 -6.342 -6.042 126 HZ PHE 16 HZ PHE 16 10.030 -7.474 -3.903 127 H ASN 17 H ASN 17 11.229 -0.523 -5.698 128 HA ASN 17 HA ASN 17 13.449 -2.306 -5.648 129 HB2 ASN 17 2HB ASN 17 13.123 0.364 -7.096 130 HB3 ASN 17 1HB ASN 17 14.443 -0.769 -7.389 131 HD21 ASN 17 1HD2 ASN 17 12.414 0.223 -9.217 132 HD22 ASN 17 2HD2 ASN 17 11.610 -1.164 -9.849 133 H THR 18 H THR 18 13.012 1.012 -4.475 134 HA THR 18 HA THR 18 15.600 1.427 -3.391 135 HB THR 18 HB THR 18 12.933 2.576 -2.433 136 HG1 THR 18 HG1 THR 18 13.017 3.452 -4.362 137 HG21 THR 18 3HG2 THR 18 14.742 2.961 -0.781 138 HG22 THR 18 1HG2 THR 18 14.269 4.471 -1.570 139 HG23 THR 18 2HG2 THR 18 15.756 3.654 -2.052 140 H LYS 19 H LYS 19 12.644 -0.118 -2.152 141 HA LYS 19 HA LYS 19 13.508 -0.152 0.610 142 HB2 LYS 19 2HB LYS 19 11.071 0.122 -0.247 143 HB3 LYS 19 1HB LYS 19 11.086 -1.608 -0.541 144 HG2 LYS 19 2HG LYS 19 10.010 -1.144 1.587 145 HG3 LYS 19 1HG LYS 19 11.531 -2.010 1.872 146 HD2 LYS 19 2HD LYS 19 12.646 0.129 2.444 147 HD3 LYS 19 1HD LYS 19 11.151 1.013 2.117 148 HE2 LYS 19 2HE LYS 19 11.482 0.715 4.527 149 HE3 LYS 19 1HE LYS 19 10.056 -0.177 3.996 150 HZ1 LYS 19 3HZ LYS 19 12.739 -1.374 4.434 151 HZ2 LYS 19 1HZ LYS 19 11.324 -2.204 4.027 152 HZ3 LYS 19 2HZ LYS 19 11.459 -1.444 5.529 153 H ARG 20 H ARG 20 13.801 -2.274 -2.108 154 HA ARG 20 HA ARG 20 14.357 -4.714 -0.788 155 HB2 ARG 20 2HB ARG 20 15.229 -3.641 -3.485 156 HB3 ARG 20 1HB ARG 20 15.687 -5.249 -2.932 157 HG2 ARG 20 2HG ARG 20 13.319 -5.898 -2.793 158 HG3 ARG 20 1HG ARG 20 12.835 -4.278 -3.299 159 HD2 ARG 20 2HD ARG 20 12.722 -5.857 -5.173 160 HD3 ARG 20 1HD ARG 20 13.940 -4.620 -5.480 161 HE ARG 20 HE ARG 20 15.359 -6.660 -4.369 162 HH11 ARG 20 1HH1 ARG 20 13.218 -6.518 -7.165 163 HH12 ARG 20 2HH1 ARG 20 14.059 -7.775 -8.011 164 HH21 ARG 20 1HH2 ARG 20 16.449 -8.279 -5.497 165 HH22 ARG 20 2HH2 ARG 20 15.894 -8.772 -7.066 166 H HIS 21 H HIS 21 16.251 -1.803 -0.979 167 HA HIS 21 HA HIS 21 18.755 -2.953 -0.156 168 HB2 HIS 21 2HB HIS 21 17.665 -0.116 0.123 169 HB3 HIS 21 1HB HIS 21 19.310 -0.578 0.553 170 HD1 HIS 21 HD1 HIS 21 20.940 -1.143 -1.405 171 HD2 HIS 21 HD2 HIS 21 17.186 0.138 -2.630 172 HE1 HIS 21 HE1 HIS 21 21.174 -0.611 -3.847 173 HE2 HIS 21 HE2 HIS 21 18.932 0.302 -4.523 174 H SER 22 H SER 22 15.790 -2.398 1.461 175 HA SER 22 HA SER 22 16.996 -2.644 4.151 176 HB2 SER 22 2HB SER 22 15.558 -0.654 3.778 177 HB3 SER 22 1HB SER 22 14.210 -1.699 3.328 178 HG SER 22 HG SER 22 15.523 -1.648 5.851 179 H VAL 23 H VAL 23 15.139 -4.397 1.774 180 HA VAL 23 HA VAL 23 14.477 -6.489 3.781 181 HB VAL 23 HB VAL 23 12.481 -7.128 2.590 182 HG11 VAL 23 1HG1 VAL 23 11.034 -5.144 2.859 183 HG12 VAL 23 2HG1 VAL 23 12.456 -4.099 2.900 184 HG13 VAL 23 3HG1 VAL 23 12.193 -5.275 4.187 185 HG21 VAL 23 3HG2 VAL 23 11.624 -6.011 0.559 186 HG22 VAL 23 1HG2 VAL 23 13.201 -6.755 0.260 187 HG23 VAL 23 2HG2 VAL 23 13.077 -5.012 0.490 188 H GLY 24 H GLY 24 14.759 -8.672 3.180 189 HA2 GLY 24 2HA GLY 24 16.744 -9.212 1.113 190 HA3 GLY 24 1HA GLY 24 16.027 -10.376 2.223 191 H ILE 25 H ILE 25 16.332 -11.258 -0.258 192 HA ILE 25 HA ILE 25 14.336 -10.716 -2.167 193 HB ILE 25 HB ILE 25 15.948 -13.274 -1.761 194 HG12 ILE 25 2HG1 ILE 25 17.359 -11.317 -2.248 195 HG13 ILE 25 1HG1 ILE 25 17.370 -12.418 -3.619 196 HG21 ILE 25 1HG2 ILE 25 15.394 -13.887 -4.114 197 HG22 ILE 25 2HG2 ILE 25 14.270 -12.531 -4.195 198 HG23 ILE 25 3HG2 ILE 25 13.963 -13.865 -3.082 199 HD11 ILE 25 3HD1 ILE 25 17.256 -10.108 -4.330 200 HD12 ILE 25 1HD1 ILE 25 15.767 -9.869 -3.418 201 HD13 ILE 25 2HD1 ILE 25 15.795 -10.975 -4.798 202 H GLN 26 H GLN 26 14.395 -13.110 0.479 203 HA GLN 26 HA GLN 26 11.999 -14.474 -0.180 204 HB2 GLN 26 2HB GLN 26 12.047 -15.345 2.126 205 HB3 GLN 26 1HB GLN 26 13.635 -15.431 1.372 206 HG2 GLN 26 2HG GLN 26 14.356 -13.450 2.647 207 HG3 GLN 26 1HG GLN 26 12.758 -13.322 3.376 208 HE21 GLN 26 1HE2 GLN 26 14.460 -16.398 2.862 209 HE22 GLN 26 2HE2 GLN 26 14.714 -16.730 4.536 210 H THR 27 H THR 27 12.622 -11.576 1.689 211 HA THR 27 HA THR 27 9.944 -11.284 2.738 212 HB THR 27 HB THR 27 12.250 -9.275 2.674 213 HG1 THR 27 HG1 THR 27 11.483 -11.299 4.526 214 HG21 THR 27 3HG2 THR 27 10.069 -8.174 3.151 215 HG22 THR 27 1HG2 THR 27 11.094 -8.200 4.587 216 HG23 THR 27 2HG2 THR 27 9.755 -9.340 4.441 217 H ALA 28 H ALA 28 11.856 -10.021 0.078 218 HA ALA 28 HA ALA 28 10.209 -7.854 -0.731 219 HB1 ALA 28 3HB ALA 28 12.604 -8.003 -1.306 220 HB2 ALA 28 1HB ALA 28 11.628 -7.860 -2.769 221 HB3 ALA 28 2HB ALA 28 12.297 -9.427 -2.300 222 H LYS 29 H LYS 29 10.500 -11.229 -1.711 223 HA LYS 29 HA LYS 29 8.785 -11.283 -3.939 224 HB2 LYS 29 2HB LYS 29 10.500 -13.036 -3.218 225 HB3 LYS 29 1HB LYS 29 9.355 -13.585 -2.010 226 HG2 LYS 29 2HG LYS 29 8.716 -13.585 -4.982 227 HG3 LYS 29 1HG LYS 29 9.549 -14.931 -4.204 228 HD2 LYS 29 2HD LYS 29 6.739 -13.924 -3.575 229 HD3 LYS 29 1HD LYS 29 7.155 -15.407 -4.441 230 HE2 LYS 29 2HE LYS 29 8.209 -16.309 -2.397 231 HE3 LYS 29 1HE LYS 29 7.839 -14.810 -1.537 232 HZ1 LYS 29 3HZ LYS 29 5.504 -15.244 -1.838 233 HZ2 LYS 29 1HZ LYS 29 6.248 -16.553 -1.071 234 HZ3 LYS 29 2HZ LYS 29 5.838 -16.656 -2.708 235 H VAL 30 H VAL 30 8.204 -11.655 -0.483 236 HA VAL 30 HA VAL 30 5.475 -12.486 -0.605 237 HB VAL 30 HB VAL 30 7.088 -11.252 1.684 238 HG11 VAL 30 1HG1 VAL 30 4.336 -12.552 1.840 239 HG12 VAL 30 2HG1 VAL 30 4.696 -10.845 2.104 240 HG13 VAL 30 3HG1 VAL 30 5.318 -12.055 3.225 241 HG21 VAL 30 3HG2 VAL 30 7.205 -13.575 2.538 242 HG22 VAL 30 1HG2 VAL 30 7.914 -13.451 0.927 243 HG23 VAL 30 2HG2 VAL 30 6.303 -14.141 1.130 244 H LEU 31 H LEU 31 7.055 -9.324 -0.073 245 HA LEU 31 HA LEU 31 4.691 -7.790 0.353 246 HB2 LEU 31 2HB LEU 31 7.406 -6.807 -0.629 247 HB3 LEU 31 1HB LEU 31 6.144 -5.810 0.082 248 HG LEU 31 HG LEU 31 7.802 -7.923 1.514 249 HD11 LEU 31 1HD1 LEU 31 7.813 -4.909 1.835 250 HD12 LEU 31 2HD1 LEU 31 9.056 -5.886 1.047 251 HD13 LEU 31 3HD1 LEU 31 8.764 -6.068 2.775 252 HD21 LEU 31 3HD2 LEU 31 5.600 -6.188 2.675 253 HD22 LEU 31 1HD2 LEU 31 6.675 -7.252 3.589 254 HD23 LEU 31 2HD2 LEU 31 5.538 -7.936 2.432 255 H LYS 32 H LYS 32 6.658 -8.487 -2.500 256 HA LYS 32 HA LYS 32 5.356 -6.724 -4.332 257 HB2 LYS 32 2HB LYS 32 7.694 -7.633 -4.595 258 HB3 LYS 32 1HB LYS 32 7.006 -9.209 -4.957 259 HG2 LYS 32 2HG LYS 32 5.902 -8.258 -6.962 260 HG3 LYS 32 1HG LYS 32 6.595 -6.676 -6.582 261 HD2 LYS 32 2HD LYS 32 8.881 -7.672 -6.826 262 HD3 LYS 32 1HD LYS 32 8.134 -9.204 -7.288 263 HE2 LYS 32 2HE LYS 32 7.852 -6.586 -8.810 264 HE3 LYS 32 1HE LYS 32 8.908 -7.927 -9.251 265 HZ1 LYS 32 3HZ LYS 32 6.852 -7.957 -10.513 266 HZ2 LYS 32 1HZ LYS 32 5.949 -8.068 -9.087 267 HZ3 LYS 32 2HZ LYS 32 6.978 -9.329 -9.538 268 H GLY 33 H GLY 33 5.016 -10.115 -3.477 269 HA2 GLY 33 2HA GLY 33 3.109 -10.974 -5.354 270 HA3 GLY 33 1HA GLY 33 3.337 -11.649 -3.749 271 H TYR 34 H TYR 34 2.791 -9.120 -2.424 272 HA TYR 34 HA TYR 34 -0.098 -9.179 -2.320 273 HB2 TYR 34 2HB TYR 34 1.974 -7.481 -0.867 274 HB3 TYR 34 1HB TYR 34 0.244 -7.434 -0.541 275 HD1 TYR 34 HD2 TYR 34 -0.044 -10.594 -0.899 276 HD2 TYR 34 HD1 TYR 34 2.490 -8.073 1.451 277 HE1 TYR 34 HE2 TYR 34 0.203 -12.381 0.759 278 HE2 TYR 34 HE1 TYR 34 2.720 -9.862 3.110 279 HH TYR 34 HH TYR 34 1.894 -13.039 2.496 280 H LEU 35 H LEU 35 2.447 -7.025 -3.527 281 HA LEU 35 HA LEU 35 0.907 -4.679 -3.772 282 HB2 LEU 35 2HB LEU 35 3.478 -5.573 -5.100 283 HB3 LEU 35 1HB LEU 35 2.762 -4.004 -5.448 284 HG LEU 35 HG LEU 35 3.635 -4.929 -2.678 285 HD11 LEU 35 1HD1 LEU 35 5.590 -4.618 -4.098 286 HD12 LEU 35 2HD1 LEU 35 5.493 -3.336 -2.892 287 HD13 LEU 35 3HD1 LEU 35 5.029 -3.008 -4.567 288 HD21 LEU 35 3HD2 LEU 35 2.622 -2.230 -3.628 289 HD22 LEU 35 1HD2 LEU 35 3.267 -2.576 -2.021 290 HD23 LEU 35 2HD2 LEU 35 1.784 -3.356 -2.558 291 H ASN 36 H ASN 36 1.909 -6.929 -6.383 292 HA ASN 36 HA ASN 36 0.360 -5.695 -8.410 293 HB2 ASN 36 2HB ASN 36 0.840 -7.839 -9.715 294 HB3 ASN 36 1HB ASN 36 2.241 -6.979 -9.091 295 HD21 ASN 36 1HD2 ASN 36 3.557 -8.775 -9.141 296 HD22 ASN 36 2HD2 ASN 36 3.397 -10.097 -8.045 297 H SER 37 H SER 37 -0.493 -8.152 -6.082 298 HA SER 37 HA SER 37 -2.826 -9.125 -7.519 299 HB2 SER 37 2HB SER 37 -1.437 -10.647 -6.132 300 HB3 SER 37 1HB SER 37 -1.843 -9.719 -4.689 301 HG SER 37 HG SER 37 -4.037 -10.542 -6.119 302 H ARG 38 H ARG 38 -2.193 -7.204 -4.607 303 HA ARG 38 HA ARG 38 -5.061 -6.856 -4.089 304 HB2 ARG 38 2HB ARG 38 -2.632 -6.448 -2.312 305 HB3 ARG 38 1HB ARG 38 -4.269 -6.039 -1.819 306 HG2 ARG 38 2HG ARG 38 -3.434 -8.841 -2.637 307 HG3 ARG 38 1HG ARG 38 -3.369 -8.258 -0.975 308 HD2 ARG 38 2HD ARG 38 -5.406 -9.553 -1.307 309 HD3 ARG 38 1HD ARG 38 -5.830 -7.869 -1.029 310 HE ARG 38 HE ARG 38 -6.251 -7.677 -3.430 311 HH11 ARG 38 1HH1 ARG 38 -6.144 -10.939 -2.185 312 HH12 ARG 38 2HH1 ARG 38 -7.229 -11.557 -3.385 313 HH21 ARG 38 1HH2 ARG 38 -7.578 -8.510 -5.054 314 HH22 ARG 38 2HH2 ARG 38 -8.018 -10.186 -5.019 315 H ILE 39 H ILE 39 -2.077 -4.804 -4.080 316 HA ILE 39 HA ILE 39 -3.721 -2.473 -3.573 317 HB ILE 39 HB ILE 39 -0.692 -2.564 -3.981 318 HG12 ILE 39 2HG1 ILE 39 -0.739 -2.104 -1.385 319 HG13 ILE 39 1HG1 ILE 39 -2.379 -2.732 -1.440 320 HG21 ILE 39 1HG2 ILE 39 -2.474 -0.336 -2.913 321 HG22 ILE 39 2HG2 ILE 39 -1.613 -0.345 -4.455 322 HG23 ILE 39 3HG2 ILE 39 -0.709 -0.308 -2.942 323 HD11 ILE 39 3HD1 ILE 39 -0.843 -4.419 -0.700 324 HD12 ILE 39 1HD1 ILE 39 0.151 -4.208 -2.142 325 HD13 ILE 39 2HD1 ILE 39 -1.477 -4.873 -2.281 326 H ILE 40 H ILE 40 -1.639 -3.564 -6.282 327 HA ILE 40 HA ILE 40 -1.701 -1.265 -7.840 328 HB ILE 40 HB ILE 40 -0.893 -4.080 -8.321 329 HG12 ILE 40 2HG1 ILE 40 1.128 -3.011 -9.345 330 HG13 ILE 40 1HG1 ILE 40 0.359 -1.436 -9.214 331 HG21 ILE 40 1HG2 ILE 40 -2.345 -3.942 -10.261 332 HG22 ILE 40 2HG2 ILE 40 -0.660 -3.900 -10.783 333 HG23 ILE 40 3HG2 ILE 40 -1.609 -2.414 -10.745 334 HD11 ILE 40 3HD1 ILE 40 2.010 -1.748 -7.496 335 HD12 ILE 40 1HD1 ILE 40 1.193 -3.207 -6.931 336 HD13 ILE 40 2HD1 ILE 40 0.403 -1.636 -6.775 337 HA PRO 41 HA PRO 41 -5.617 -2.866 -10.295 338 HB2 PRO 41 2HB PRO 41 -7.334 -4.594 -9.030 339 HB3 PRO 41 1HB PRO 41 -6.024 -5.130 -10.086 340 HG2 PRO 41 2HG PRO 41 -6.061 -4.945 -7.078 341 HG3 PRO 41 1HG PRO 41 -5.501 -6.281 -8.107 342 HD2 PRO 41 2HD PRO 41 -3.756 -4.530 -7.012 343 HD3 PRO 41 1HD PRO 41 -3.490 -5.195 -8.642 344 H SER 42 H SER 42 -5.618 -2.287 -6.827 345 HA SER 42 HA SER 42 -8.276 -1.004 -6.906 346 HB2 SER 42 2HB SER 42 -7.887 -2.640 -5.110 347 HB3 SER 42 1HB SER 42 -6.475 -1.742 -4.553 348 HG SER 42 HG SER 42 -8.808 -0.260 -4.718 349 H LEU 43 H LEU 43 -5.237 -0.216 -5.189 350 HA LEU 43 HA LEU 43 -5.863 2.638 -5.291 351 HB2 LEU 43 2HB LEU 43 -3.635 1.221 -3.767 352 HB3 LEU 43 1HB LEU 43 -4.216 2.864 -3.505 353 HG LEU 43 HG LEU 43 -5.751 0.290 -2.918 354 HD11 LEU 43 1HD1 LEU 43 -4.596 2.335 -0.998 355 HD12 LEU 43 2HD1 LEU 43 -3.973 0.710 -1.302 356 HD13 LEU 43 3HD1 LEU 43 -5.560 0.917 -0.565 357 HD21 LEU 43 3HD2 LEU 43 -6.645 3.169 -2.526 358 HD22 LEU 43 1HD2 LEU 43 -7.498 1.737 -1.932 359 HD23 LEU 43 2HD2 LEU 43 -7.316 1.997 -3.663 360 H GLY 44 H GLY 44 -3.850 0.388 -6.898 361 HA2 GLY 44 2HA GLY 44 -1.567 2.046 -7.429 362 HA3 GLY 44 1HA GLY 44 -1.968 0.520 -8.209 363 H ASN 45 H ASN 45 -4.437 1.060 -9.343 364 HA ASN 45 HA ASN 45 -3.990 2.620 -11.637 365 HB2 ASN 45 2HB ASN 45 -6.580 1.646 -10.365 366 HB3 ASN 45 1HB ASN 45 -6.543 2.491 -11.907 367 HD21 ASN 45 1HD2 ASN 45 -5.604 1.453 -13.715 368 HD22 ASN 45 2HD2 ASN 45 -5.356 -0.256 -13.749 369 H ILE 46 H ILE 46 -5.083 3.533 -8.466 370 HA ILE 46 HA ILE 46 -6.037 6.171 -9.198 371 HB ILE 46 HB ILE 46 -5.304 5.083 -6.428 372 HG12 ILE 46 2HG1 ILE 46 -8.066 5.194 -7.732 373 HG13 ILE 46 1HG1 ILE 46 -7.101 3.732 -7.561 374 HG21 ILE 46 1HG2 ILE 46 -5.388 7.554 -6.491 375 HG22 ILE 46 2HG2 ILE 46 -6.705 6.896 -5.524 376 HG23 ILE 46 3HG2 ILE 46 -7.024 7.491 -7.154 377 HD11 ILE 46 3HD1 ILE 46 -7.249 3.937 -5.113 378 HD12 ILE 46 1HD1 ILE 46 -8.834 3.826 -5.881 379 HD13 ILE 46 2HD1 ILE 46 -8.246 5.381 -5.304 380 H LYS 47 H LYS 47 -4.928 8.130 -8.815 381 HA LYS 47 HA LYS 47 -2.071 8.090 -9.144 382 HB2 LYS 47 2HB LYS 47 -3.877 10.473 -8.569 383 HB3 LYS 47 1HB LYS 47 -2.264 10.520 -9.273 384 HG2 LYS 47 2HG LYS 47 -4.739 9.324 -10.568 385 HG3 LYS 47 1HG LYS 47 -4.030 10.890 -10.959 386 HD2 LYS 47 2HD LYS 47 -2.660 8.193 -11.347 387 HD3 LYS 47 1HD LYS 47 -3.441 9.135 -12.619 388 HE2 LYS 47 2HE LYS 47 -1.818 10.980 -12.195 389 HE3 LYS 47 1HE LYS 47 -1.004 9.963 -11.003 390 HZ1 LYS 47 3HZ LYS 47 -0.025 9.989 -13.268 391 HZ2 LYS 47 1HZ LYS 47 -1.392 9.170 -13.818 392 HZ3 LYS 47 2HZ LYS 47 -0.383 8.452 -12.669 393 H LEU 48 H LEU 48 -0.511 8.796 -7.654 394 HA LEU 48 HA LEU 48 -0.681 7.796 -5.086 395 HB2 LEU 48 2HB LEU 48 1.438 8.083 -6.195 396 HB3 LEU 48 1HB LEU 48 1.210 9.818 -6.306 397 HG LEU 48 HG LEU 48 1.540 10.060 -3.874 398 HD11 LEU 48 1HD1 LEU 48 2.225 8.213 -2.444 399 HD12 LEU 48 2HD1 LEU 48 2.025 7.072 -3.774 400 HD13 LEU 48 3HD1 LEU 48 0.622 7.912 -3.111 401 HD21 LEU 48 3HD2 LEU 48 3.930 9.488 -3.766 402 HD22 LEU 48 1HD2 LEU 48 3.505 10.200 -5.323 403 HD23 LEU 48 2HD2 LEU 48 3.754 8.456 -5.189 404 H ALA 49 H ALA 49 -0.856 11.262 -5.997 405 HA ALA 49 HA ALA 49 -1.221 12.172 -3.289 406 HB1 ALA 49 3HB ALA 49 -1.464 14.408 -4.265 407 HB2 ALA 49 1HB ALA 49 -1.580 13.702 -5.877 408 HB3 ALA 49 2HB ALA 49 -0.078 13.564 -4.965 409 H LYS 50 H LYS 50 -3.385 10.920 -5.638 410 HA LYS 50 HA LYS 50 -5.784 12.236 -4.621 411 HB2 LYS 50 2HB LYS 50 -5.436 10.036 -6.703 412 HB3 LYS 50 1HB LYS 50 -6.980 10.767 -6.276 413 HG2 LYS 50 2HG LYS 50 -4.619 12.124 -7.611 414 HG3 LYS 50 1HG LYS 50 -6.192 11.750 -8.328 415 HD2 LYS 50 2HD LYS 50 -7.243 13.329 -6.658 416 HD3 LYS 50 1HD LYS 50 -5.618 13.778 -6.127 417 HE2 LYS 50 2HE LYS 50 -6.346 15.457 -7.671 418 HE3 LYS 50 1HE LYS 50 -5.149 14.475 -8.525 419 HZ1 LYS 50 3HZ LYS 50 -7.101 14.940 -9.889 420 HZ2 LYS 50 1HZ LYS 50 -8.102 14.170 -8.764 421 HZ3 LYS 50 2HZ LYS 50 -6.932 13.285 -9.608 422 H LEU 51 H LEU 51 -3.922 9.678 -3.509 423 HA LEU 51 HA LEU 51 -5.909 7.853 -2.621 424 HB2 LEU 51 2HB LEU 51 -3.029 8.347 -1.935 425 HB3 LEU 51 1HB LEU 51 -3.975 7.491 -0.733 426 HG LEU 51 HG LEU 51 -4.525 5.727 -2.370 427 HD11 LEU 51 1HD1 LEU 51 -4.474 7.017 -4.443 428 HD12 LEU 51 2HD1 LEU 51 -3.435 5.600 -4.551 429 HD13 LEU 51 3HD1 LEU 51 -2.724 7.196 -4.304 430 HD21 LEU 51 3HD2 LEU 51 -1.541 6.225 -2.185 431 HD22 LEU 51 1HD2 LEU 51 -2.338 4.678 -2.463 432 HD23 LEU 51 2HD2 LEU 51 -2.538 5.502 -0.922 433 H THR 52 H THR 52 -7.629 8.722 -1.597 434 HA THR 52 HA THR 52 -7.260 10.245 0.904 435 HB THR 52 HB THR 52 -8.940 11.150 -0.654 436 HG1 THR 52 HG1 THR 52 -9.603 11.616 1.339 437 HG21 THR 52 3HG2 THR 52 -11.033 9.944 -1.162 438 HG22 THR 52 1HG2 THR 52 -10.411 8.505 -0.343 439 HG23 THR 52 2HG2 THR 52 -9.630 9.094 -1.814 440 H SER 53 H SER 53 -8.783 9.509 2.752 441 HA SER 53 HA SER 53 -7.980 6.864 3.513 442 HB2 SER 53 2HB SER 53 -8.151 8.753 5.146 443 HB3 SER 53 1HB SER 53 -9.903 8.737 4.959 444 HG SER 53 HG SER 53 -9.705 7.420 6.616 445 H LEU 54 H LEU 54 -10.852 8.181 2.041 446 HA LEU 54 HA LEU 54 -12.733 6.141 2.477 447 HB2 LEU 54 2HB LEU 54 -13.378 8.224 1.389 448 HB3 LEU 54 1HB LEU 54 -12.264 7.935 0.066 449 HG LEU 54 HG LEU 54 -13.664 6.030 -0.711 450 HD11 LEU 54 1HD1 LEU 54 -15.596 6.794 1.493 451 HD12 LEU 54 2HD1 LEU 54 -14.648 5.307 1.394 452 HD13 LEU 54 3HD1 LEU 54 -15.904 5.631 0.202 453 HD21 LEU 54 3HD2 LEU 54 -15.227 8.618 -0.438 454 HD22 LEU 54 1HD2 LEU 54 -15.529 7.338 -1.617 455 HD23 LEU 54 2HD2 LEU 54 -14.025 8.254 -1.678 456 H HIS 55 H HIS 55 -10.096 6.414 0.121 457 HA HIS 55 HA HIS 55 -10.597 4.093 -1.424 458 HB2 HIS 55 2HB HIS 55 -7.989 5.590 -0.916 459 HB3 HIS 55 1HB HIS 55 -8.154 4.296 -2.096 460 HD1 HIS 55 HD1 HIS 55 -7.236 6.889 -3.158 461 HD2 HIS 55 HD2 HIS 55 -11.265 5.959 -2.806 462 HE1 HIS 55 HE1 HIS 55 -8.412 8.375 -4.790 463 HE2 HIS 55 HE2 HIS 55 -10.806 7.628 -4.722 464 H MET 56 H MET 56 -8.886 4.619 1.570 465 HA MET 56 HA MET 56 -7.590 2.050 1.721 466 HB2 MET 56 2HB MET 56 -8.076 4.156 3.873 467 HB3 MET 56 1HB MET 56 -7.003 2.761 4.031 468 HG2 MET 56 2HG MET 56 -6.695 5.071 2.107 469 HG3 MET 56 1HG MET 56 -5.697 4.723 3.528 470 HE1 MET 56 3HE MET 56 -4.863 5.111 0.295 471 HE2 MET 56 1HE MET 56 -3.505 3.989 0.249 472 HE3 MET 56 2HE MET 56 -3.699 5.079 1.621 473 H GLN 57 H GLN 57 -10.562 3.497 2.969 474 HA GLN 57 HA GLN 57 -11.420 1.350 4.617 475 HB2 GLN 57 2HB GLN 57 -12.400 3.627 4.788 476 HB3 GLN 57 1HB GLN 57 -13.082 3.469 3.176 477 HG2 GLN 57 2HG GLN 57 -14.811 3.125 4.863 478 HG3 GLN 57 1HG GLN 57 -14.545 1.637 3.954 479 HE21 GLN 57 1HE2 GLN 57 -13.500 -0.122 5.010 480 HE22 GLN 57 2HE2 GLN 57 -13.394 -0.207 6.732 481 H ASN 58 H ASN 58 -12.131 2.214 1.224 482 HA ASN 58 HA ASN 58 -13.821 0.115 0.463 483 HB2 ASN 58 2HB ASN 58 -11.723 1.562 -1.220 484 HB3 ASN 58 1HB ASN 58 -13.006 0.548 -1.879 485 HD21 ASN 58 1HD2 ASN 58 -12.367 3.418 -2.238 486 HD22 ASN 58 2HD2 ASN 58 -13.828 4.255 -1.845 487 H TYR 59 H TYR 59 -10.314 0.367 0.575 488 HA TYR 59 HA TYR 59 -9.618 -2.032 -0.719 489 HB2 TYR 59 2HB TYR 59 -8.042 -0.147 -0.387 490 HB3 TYR 59 1HB TYR 59 -8.071 -0.416 1.352 491 HD1 TYR 59 HD2 TYR 59 -7.138 -2.063 -1.893 492 HD2 TYR 59 HD1 TYR 59 -6.501 -1.928 2.338 493 HE1 TYR 59 HE2 TYR 59 -5.258 -3.630 -2.115 494 HE2 TYR 59 HE1 TYR 59 -4.625 -3.491 2.107 495 HH TYR 59 HH TYR 59 -3.287 -4.316 -0.920 496 H VAL 60 H VAL 60 -9.876 -1.253 2.777 497 HA VAL 60 HA VAL 60 -9.215 -3.830 3.776 498 HB VAL 60 HB VAL 60 -10.727 -1.539 5.103 499 HG11 VAL 60 1HG1 VAL 60 -9.607 -4.046 6.433 500 HG12 VAL 60 2HG1 VAL 60 -11.314 -3.616 6.299 501 HG13 VAL 60 3HG1 VAL 60 -10.233 -2.634 7.289 502 HG21 VAL 60 3HG2 VAL 60 -8.414 -1.002 4.466 503 HG22 VAL 60 1HG2 VAL 60 -7.829 -2.433 5.326 504 HG23 VAL 60 2HG2 VAL 60 -8.564 -1.102 6.219 505 H ASN 61 H ASN 61 -12.288 -2.375 2.869 506 HA ASN 61 HA ASN 61 -13.990 -4.437 3.850 507 HB2 ASN 61 2HB ASN 61 -14.439 -2.355 1.678 508 HB3 ASN 61 1HB ASN 61 -15.702 -3.431 2.271 509 HD21 ASN 61 1HD2 ASN 61 -15.663 -0.549 2.371 510 HD22 ASN 61 2HD2 ASN 61 -15.747 -0.106 4.037 511 H SER 62 H SER 62 -12.289 -3.922 0.792 512 HA SER 62 HA SER 62 -13.360 -6.153 -0.625 513 HB2 SER 62 2HB SER 62 -10.737 -4.666 -1.046 514 HB3 SER 62 1HB SER 62 -11.464 -5.790 -2.198 515 HG SER 62 HG SER 62 -11.969 -3.182 -1.816 516 H LEU 63 H LEU 63 -10.701 -5.785 1.671 517 HA LEU 63 HA LEU 63 -9.441 -8.320 1.241 518 HB2 LEU 63 2HB LEU 63 -9.487 -6.741 3.841 519 HB3 LEU 63 1HB LEU 63 -8.290 -7.937 3.352 520 HG LEU 63 HG LEU 63 -8.699 -5.182 2.152 521 HD11 LEU 63 1HD1 LEU 63 -6.493 -4.660 3.051 522 HD12 LEU 63 2HD1 LEU 63 -6.403 -6.258 3.796 523 HD13 LEU 63 3HD1 LEU 63 -7.632 -5.101 4.321 524 HD21 LEU 63 3HD2 LEU 63 -8.081 -6.715 0.363 525 HD22 LEU 63 1HD2 LEU 63 -6.699 -7.298 1.297 526 HD23 LEU 63 2HD2 LEU 63 -6.744 -5.628 0.724 527 H ARG 64 H ARG 64 -12.100 -7.197 3.227 528 HA ARG 64 HA ARG 64 -12.601 -9.616 4.666 529 HB2 ARG 64 2HB ARG 64 -13.387 -7.390 5.440 530 HB3 ARG 64 1HB ARG 64 -14.434 -7.270 4.033 531 HG2 ARG 64 2HG ARG 64 -15.765 -9.187 4.846 532 HG3 ARG 64 1HG ARG 64 -14.705 -9.328 6.252 533 HD2 ARG 64 2HD ARG 64 -15.425 -7.175 7.092 534 HD3 ARG 64 1HD ARG 64 -16.324 -6.841 5.608 535 HE ARG 64 HE ARG 64 -17.424 -9.166 6.604 536 HH11 ARG 64 1HH1 ARG 64 -17.027 -5.910 7.885 537 HH12 ARG 64 2HH1 ARG 64 -18.472 -5.986 8.837 538 HH21 ARG 64 1HH2 ARG 64 -19.318 -9.220 7.850 539 HH22 ARG 64 2HH2 ARG 64 -19.766 -7.847 8.806 540 H ASP 65 H ASP 65 -13.724 -8.257 1.558 541 HA ASP 65 HA ASP 65 -15.570 -10.315 0.861 542 HB2 ASP 65 2HB ASP 65 -13.975 -8.405 -0.901 543 HB3 ASP 65 1HB ASP 65 -15.164 -9.531 -1.541 544 H GLU 66 H GLU 66 -12.053 -10.009 0.517 545 HA GLU 66 HA GLU 66 -11.692 -12.453 -0.986 546 HB2 GLU 66 2HB GLU 66 -9.700 -10.748 0.589 547 HB3 GLU 66 1HB GLU 66 -9.249 -12.115 -0.425 548 HG2 GLU 66 2HG GLU 66 -10.536 -9.533 -1.345 549 HG3 GLU 66 1HG GLU 66 -8.856 -10.010 -1.590 550 H GLY 67 H GLY 67 -12.072 -11.607 2.345 551 HA2 GLY 67 2HA GLY 67 -12.254 -12.865 4.254 552 HA3 GLY 67 1HA GLY 67 -12.175 -14.314 3.264 553 H LEU 68 H LEU 68 -9.775 -11.741 3.454 554 HA LEU 68 HA LEU 68 -7.582 -13.516 3.874 555 HB2 LEU 68 2HB LEU 68 -7.671 -10.482 4.113 556 HB3 LEU 68 1HB LEU 68 -6.206 -11.454 4.062 557 HG LEU 68 HG LEU 68 -8.211 -11.084 1.804 558 HD11 LEU 68 1HD1 LEU 68 -6.375 -9.960 0.636 559 HD12 LEU 68 2HD1 LEU 68 -5.342 -10.145 2.057 560 HD13 LEU 68 3HD1 LEU 68 -6.792 -9.141 2.139 561 HD21 LEU 68 3HD2 LEU 68 -5.711 -12.806 1.832 562 HD22 LEU 68 1HD2 LEU 68 -6.679 -12.428 0.403 563 HD23 LEU 68 2HD2 LEU 68 -7.379 -13.370 1.716 564 H LYS 69 H LYS 69 -6.095 -13.471 5.651 565 HA LYS 69 HA LYS 69 -7.460 -13.426 8.248 566 HB2 LYS 69 2HB LYS 69 -5.473 -14.674 9.062 567 HB3 LYS 69 1HB LYS 69 -6.242 -15.451 7.683 568 HG2 LYS 69 2HG LYS 69 -4.466 -14.446 6.209 569 HG3 LYS 69 1HG LYS 69 -3.663 -13.846 7.662 570 HD2 LYS 69 2HD LYS 69 -2.629 -15.940 6.880 571 HD3 LYS 69 1HD LYS 69 -3.370 -16.163 8.467 572 HE2 LYS 69 2HE LYS 69 -3.815 -18.084 6.995 573 HE3 LYS 69 1HE LYS 69 -5.311 -17.253 7.411 574 HZ1 LYS 69 3HZ LYS 69 -5.249 -16.157 5.244 575 HZ2 LYS 69 1HZ LYS 69 -5.255 -17.841 5.083 576 HZ3 LYS 69 2HZ LYS 69 -3.824 -16.976 4.853 577 H ARG 70 H ARG 70 -6.233 -12.656 10.146 578 HA ARG 70 HA ARG 70 -5.824 -9.940 10.170 579 HB2 ARG 70 2HB ARG 70 -4.839 -10.189 12.416 580 HB3 ARG 70 1HB ARG 70 -6.216 -11.272 12.221 581 HG2 ARG 70 2HG ARG 70 -4.777 -13.190 11.958 582 HG3 ARG 70 1HG ARG 70 -3.336 -12.176 11.885 583 HD2 ARG 70 2HD ARG 70 -3.510 -13.264 14.056 584 HD3 ARG 70 1HD ARG 70 -3.686 -11.515 14.239 585 HE ARG 70 HE ARG 70 -5.923 -13.461 14.286 586 HH11 ARG 70 1HH1 ARG 70 -4.522 -10.424 15.357 587 HH12 ARG 70 2HH1 ARG 70 -5.785 -10.112 16.501 588 HH21 ARG 70 1HH2 ARG 70 -7.567 -13.044 15.775 589 HH22 ARG 70 2HH2 ARG 70 -7.514 -11.592 16.721 590 H GLY 71 H GLY 71 -3.377 -12.458 9.758 591 HA2 GLY 71 2HA GLY 71 -1.052 -10.913 9.880 592 HA3 GLY 71 1HA GLY 71 -1.227 -12.432 9.009 593 H THR 72 H THR 72 -2.743 -12.056 6.948 594 HA THR 72 HA THR 72 -1.099 -10.743 5.090 595 HB THR 72 HB THR 72 -3.992 -11.625 4.684 596 HG1 THR 72 HG1 THR 72 -1.580 -13.011 4.889 597 HG21 THR 72 3HG2 THR 72 -3.171 -10.211 2.810 598 HG22 THR 72 1HG2 THR 72 -3.364 -11.893 2.301 599 HG23 THR 72 2HG2 THR 72 -1.754 -11.250 2.642 600 H ILE 73 H ILE 73 -4.262 -9.776 6.448 601 HA ILE 73 HA ILE 73 -4.624 -7.367 5.042 602 HB ILE 73 HB ILE 73 -5.603 -8.089 7.844 603 HG12 ILE 73 2HG1 ILE 73 -7.021 -8.254 5.139 604 HG13 ILE 73 1HG1 ILE 73 -6.426 -9.625 6.070 605 HG21 ILE 73 1HG2 ILE 73 -6.550 -5.807 6.059 606 HG22 ILE 73 2HG2 ILE 73 -5.649 -5.636 7.567 607 HG23 ILE 73 3HG2 ILE 73 -7.289 -6.284 7.589 608 HD11 ILE 73 3HD1 ILE 73 -8.650 -7.754 6.882 609 HD12 ILE 73 1HD1 ILE 73 -8.040 -9.103 7.844 610 HD13 ILE 73 2HD1 ILE 73 -8.819 -9.407 6.294 611 H GLU 74 H GLU 74 -3.041 -8.009 8.176 612 HA GLU 74 HA GLU 74 -2.389 -5.348 8.820 613 HB2 GLU 74 2HB GLU 74 -2.245 -7.222 10.450 614 HB3 GLU 74 1HB GLU 74 -0.869 -7.879 9.575 615 HG2 GLU 74 2HG GLU 74 0.444 -5.856 10.119 616 HG3 GLU 74 1HG GLU 74 -0.950 -5.197 10.977 617 H LYS 75 H LYS 75 -0.575 -7.824 7.000 618 HA LYS 75 HA LYS 75 1.915 -6.514 6.804 619 HB2 LYS 75 2HB LYS 75 0.635 -8.589 4.970 620 HB3 LYS 75 1HB LYS 75 2.308 -8.060 4.817 621 HG2 LYS 75 2HG LYS 75 2.832 -8.970 7.028 622 HG3 LYS 75 1HG LYS 75 1.142 -9.426 7.263 623 HD2 LYS 75 2HD LYS 75 1.315 -10.965 5.299 624 HD3 LYS 75 1HD LYS 75 3.020 -10.533 5.137 625 HE2 LYS 75 2HE LYS 75 1.753 -11.920 7.528 626 HE3 LYS 75 1HE LYS 75 2.752 -12.686 6.292 627 HZ1 LYS 75 3HZ LYS 75 4.580 -11.211 6.969 628 HZ2 LYS 75 1HZ LYS 75 4.072 -12.227 8.220 629 HZ3 LYS 75 2HZ LYS 75 3.621 -10.599 8.216 630 H ILE 76 H ILE 76 -0.837 -6.648 4.541 631 HA ILE 76 HA ILE 76 0.448 -5.090 2.508 632 HB ILE 76 HB ILE 76 -1.736 -5.095 1.335 633 HG12 ILE 76 2HG1 ILE 76 -2.781 -6.275 3.945 634 HG13 ILE 76 1HG1 ILE 76 -3.398 -4.888 3.057 635 HG21 ILE 76 1HG2 ILE 76 -1.882 -7.494 0.950 636 HG22 ILE 76 2HG2 ILE 76 -1.080 -7.830 2.487 637 HG23 ILE 76 3HG2 ILE 76 -0.196 -7.039 1.183 638 HD11 ILE 76 3HD1 ILE 76 -3.624 -7.788 2.247 639 HD12 ILE 76 1HD1 ILE 76 -4.186 -6.419 1.281 640 HD13 ILE 76 2HD1 ILE 76 -4.904 -6.747 2.855 641 H ILE 77 H ILE 77 -1.825 -4.313 5.132 642 HA ILE 77 HA ILE 77 -2.193 -1.569 4.493 643 HB ILE 77 HB ILE 77 -2.408 -3.061 7.133 644 HG12 ILE 77 2HG1 ILE 77 -4.151 -3.640 5.498 645 HG13 ILE 77 1HG1 ILE 77 -4.874 -2.725 6.814 646 HG21 ILE 77 1HG2 ILE 77 -3.539 -1.071 8.119 647 HG22 ILE 77 2HG2 ILE 77 -3.097 -0.134 6.690 648 HG23 ILE 77 3HG2 ILE 77 -1.839 -0.772 7.748 649 HD11 ILE 77 3HD1 ILE 77 -4.890 -0.721 5.403 650 HD12 ILE 77 1HD1 ILE 77 -5.776 -2.059 4.674 651 HD13 ILE 77 2HD1 ILE 77 -4.167 -1.649 4.083 652 H LYS 78 H LYS 78 0.328 -3.286 6.333 653 HA LYS 78 HA LYS 78 1.707 -0.972 7.294 654 HB2 LYS 78 2HB LYS 78 2.733 -3.810 6.887 655 HB3 LYS 78 1HB LYS 78 3.642 -2.539 7.694 656 HG2 LYS 78 2HG LYS 78 1.038 -3.762 8.643 657 HG3 LYS 78 1HG LYS 78 2.640 -4.053 9.313 658 HD2 LYS 78 2HD LYS 78 2.751 -1.643 9.979 659 HD3 LYS 78 1HD LYS 78 1.109 -1.420 9.366 660 HE2 LYS 78 2HE LYS 78 1.138 -1.722 11.821 661 HE3 LYS 78 1HE LYS 78 0.254 -3.028 11.026 662 HZ1 LYS 78 3HZ LYS 78 1.701 -3.892 12.737 663 HZ2 LYS 78 1HZ LYS 78 3.054 -3.168 12.025 664 HZ3 LYS 78 2HZ LYS 78 2.243 -4.415 11.223 665 H VAL 79 H VAL 79 1.907 -2.873 4.336 666 HA VAL 79 HA VAL 79 4.303 -1.748 3.266 667 HB VAL 79 HB VAL 79 1.974 -3.139 1.853 668 HG11 VAL 79 1HG1 VAL 79 4.704 -2.418 0.706 669 HG12 VAL 79 2HG1 VAL 79 3.160 -1.704 0.232 670 HG13 VAL 79 3HG1 VAL 79 3.483 -3.407 -0.100 671 HG21 VAL 79 3HG2 VAL 79 3.485 -5.098 1.765 672 HG22 VAL 79 1HG2 VAL 79 3.197 -4.595 3.431 673 HG23 VAL 79 2HG2 VAL 79 4.720 -4.191 2.642 674 H ILE 80 H ILE 80 0.841 -1.036 2.789 675 HA ILE 80 HA ILE 80 1.128 1.125 0.979 676 HB ILE 80 HB ILE 80 -1.132 0.518 2.942 677 HG12 ILE 80 2HG1 ILE 80 -0.957 -0.029 -0.060 678 HG13 ILE 80 1HG1 ILE 80 -0.683 -1.241 1.188 679 HG21 ILE 80 1HG2 ILE 80 -2.563 1.998 1.551 680 HG22 ILE 80 2HG2 ILE 80 -1.150 2.469 0.605 681 HG23 ILE 80 3HG2 ILE 80 -1.245 2.888 2.316 682 HD11 ILE 80 3HD1 ILE 80 -2.900 -1.425 0.225 683 HD12 ILE 80 1HD1 ILE 80 -3.274 0.231 0.697 684 HD13 ILE 80 2HD1 ILE 80 -3.000 -1.003 1.932 685 H ARG 81 H ARG 81 0.833 1.024 4.515 686 HA ARG 81 HA ARG 81 0.885 3.779 5.065 687 HB2 ARG 81 2HB ARG 81 1.699 1.385 6.750 688 HB3 ARG 81 1HB ARG 81 1.789 3.031 7.372 689 HG2 ARG 81 2HG ARG 81 -0.621 3.313 7.056 690 HG3 ARG 81 1HG ARG 81 -0.740 1.693 6.365 691 HD2 ARG 81 2HD ARG 81 -1.478 1.752 8.721 692 HD3 ARG 81 1HD ARG 81 -0.072 0.707 8.504 693 HE ARG 81 HE ARG 81 1.300 2.567 9.370 694 HH11 ARG 81 1HH1 ARG 81 -2.130 2.602 10.187 695 HH12 ARG 81 2HH1 ARG 81 -1.883 3.506 11.648 696 HH21 ARG 81 1HH2 ARG 81 1.608 3.719 11.278 697 HH22 ARG 81 2HH2 ARG 81 0.252 4.124 12.283 698 H ASN 82 H ASN 82 3.541 1.414 4.856 699 HA ASN 82 HA ASN 82 5.672 3.132 5.599 700 HB2 ASN 82 2HB ASN 82 5.616 0.539 5.454 701 HB3 ASN 82 1HB ASN 82 5.933 0.728 3.741 702 HD21 ASN 82 1HD2 ASN 82 7.863 3.016 4.218 703 HD22 ASN 82 2HD2 ASN 82 9.269 2.253 4.837 704 H SER 83 H SER 83 4.175 2.336 2.505 705 HA SER 83 HA SER 83 5.997 3.661 0.782 706 HB2 SER 83 2HB SER 83 4.366 1.899 0.061 707 HB3 SER 83 1HB SER 83 3.048 3.040 0.319 708 HG SER 83 HG SER 83 5.159 3.218 -1.566 709 H LEU 84 H LEU 84 2.902 4.665 2.243 710 HA LEU 84 HA LEU 84 2.850 7.260 1.062 711 HB2 LEU 84 2HB LEU 84 1.312 6.142 3.431 712 HB3 LEU 84 1HB LEU 84 1.020 7.730 2.728 713 HG LEU 84 HG LEU 84 0.552 5.028 1.409 714 HD11 LEU 84 1HD1 LEU 84 -1.167 5.663 3.013 715 HD12 LEU 84 2HD1 LEU 84 -1.801 5.717 1.372 716 HD13 LEU 84 3HD1 LEU 84 -1.391 7.219 2.207 717 HD21 LEU 84 3HD2 LEU 84 1.448 6.549 -0.281 718 HD22 LEU 84 1HD2 LEU 84 0.257 7.781 0.152 719 HD23 LEU 84 2HD2 LEU 84 -0.261 6.253 -0.567 720 H GLU 85 H GLU 85 4.117 6.009 4.121 721 HA GLU 85 HA GLU 85 4.743 8.433 5.436 722 HB2 GLU 85 2HB GLU 85 6.016 5.663 5.551 723 HB3 GLU 85 1HB GLU 85 6.605 6.993 6.544 724 HG2 GLU 85 2HG GLU 85 3.791 5.858 6.637 725 HG3 GLU 85 1HG GLU 85 5.095 5.438 7.746 726 H HIS 86 H HIS 86 6.484 6.441 3.096 727 HA HIS 86 HA HIS 86 8.848 8.077 2.991 728 HB2 HIS 86 2HB HIS 86 8.779 5.582 2.508 729 HB3 HIS 86 1HB HIS 86 7.947 5.948 1.002 730 HD1 HIS 86 HD1 HIS 86 11.223 6.804 2.732 731 HD2 HIS 86 HD2 HIS 86 9.689 6.307 -1.099 732 HE1 HIS 86 HE1 HIS 86 13.188 7.051 1.191 733 HE2 HIS 86 HE2 HIS 86 12.221 6.858 -1.127 734 H ALA 87 H ALA 87 5.751 8.067 1.378 735 HA ALA 87 HA ALA 87 6.489 9.786 -0.811 736 HB1 ALA 87 3HB ALA 87 3.738 9.167 0.308 737 HB2 ALA 87 1HB ALA 87 4.551 8.281 -0.980 738 HB3 ALA 87 2HB ALA 87 4.073 9.961 -1.235 739 H ILE 88 H ILE 88 5.156 10.329 2.480 740 HA ILE 88 HA ILE 88 4.838 13.171 2.253 741 HB ILE 88 HB ILE 88 5.466 11.643 4.825 742 HG12 ILE 88 2HG1 ILE 88 2.685 12.300 3.760 743 HG13 ILE 88 1HG1 ILE 88 3.442 10.722 3.607 744 HG21 ILE 88 1HG2 ILE 88 4.065 14.325 4.442 745 HG22 ILE 88 2HG2 ILE 88 5.715 14.096 5.027 746 HG23 ILE 88 3HG2 ILE 88 4.353 13.516 5.984 747 HD11 ILE 88 3HD1 ILE 88 1.860 10.801 5.447 748 HD12 ILE 88 1HD1 ILE 88 2.781 12.095 6.207 749 HD13 ILE 88 2HD1 ILE 88 3.494 10.488 6.028 750 H ASP 89 H ASP 89 7.444 11.026 3.228 751 HA ASP 89 HA ASP 89 9.458 12.829 3.972 752 HB2 ASP 89 2HB ASP 89 9.597 10.396 4.371 753 HB3 ASP 89 1HB ASP 89 9.674 10.094 2.640 754 H LEU 90 H LEU 90 8.610 11.495 0.775 755 HA LEU 90 HA LEU 90 10.576 13.120 -0.653 756 HB2 LEU 90 2HB LEU 90 8.452 11.186 -1.677 757 HB3 LEU 90 1HB LEU 90 9.640 11.990 -2.688 758 HG LEU 90 HG LEU 90 10.226 9.906 -0.548 759 HD11 LEU 90 1HD1 LEU 90 10.924 8.472 -2.420 760 HD12 LEU 90 2HD1 LEU 90 10.425 9.717 -3.571 761 HD13 LEU 90 3HD1 LEU 90 9.227 8.930 -2.538 762 HD21 LEU 90 3HD2 LEU 90 12.577 9.999 -1.287 763 HD22 LEU 90 1HD2 LEU 90 12.049 11.538 -0.606 764 HD23 LEU 90 2HD2 LEU 90 12.195 11.353 -2.357 765 H GLU 91 H GLU 91 7.789 13.964 0.738 766 HA GLU 91 HA GLU 91 6.348 15.691 0.627 767 HB2 GLU 91 2HB GLU 91 8.250 16.791 -1.474 768 HB3 GLU 91 1HB GLU 91 7.008 17.720 -0.634 769 HG2 GLU 91 2HG GLU 91 8.182 17.247 1.520 770 HG3 GLU 91 1HG GLU 91 9.463 16.439 0.611 771 H LEU 92 H LEU 92 6.150 13.436 -1.435 772 HA LEU 92 HA LEU 92 4.744 14.433 -3.720 773 HB2 LEU 92 2HB LEU 92 4.848 11.652 -2.486 774 HB3 LEU 92 1HB LEU 92 4.235 12.021 -4.095 775 HG LEU 92 HG LEU 92 7.120 12.488 -3.226 776 HD11 LEU 92 1HD1 LEU 92 6.030 10.187 -4.875 777 HD12 LEU 92 2HD1 LEU 92 6.617 10.089 -3.212 778 HD13 LEU 92 3HD1 LEU 92 7.728 10.510 -4.512 779 HD21 LEU 92 3HD2 LEU 92 5.855 12.589 -5.990 780 HD22 LEU 92 1HD2 LEU 92 7.574 12.782 -5.630 781 HD23 LEU 92 2HD2 LEU 92 6.415 13.971 -5.045 782 H ILE 93 H ILE 93 3.855 13.429 -0.492 783 HA ILE 93 HA ILE 93 1.143 14.484 -0.891 784 HB ILE 93 HB ILE 93 0.110 12.741 0.557 785 HG12 ILE 93 2HG1 ILE 93 2.743 11.228 0.302 786 HG13 ILE 93 1HG1 ILE 93 2.189 12.036 1.758 787 HG21 ILE 93 1HG2 ILE 93 -0.101 12.474 -1.864 788 HG22 ILE 93 2HG2 ILE 93 -0.003 10.899 -1.079 789 HG23 ILE 93 3HG2 ILE 93 1.406 11.555 -1.918 790 HD11 ILE 93 3HD1 ILE 93 1.827 9.649 1.873 791 HD12 ILE 93 1HD1 ILE 93 0.833 9.702 0.419 792 HD13 ILE 93 2HD1 ILE 93 0.287 10.511 1.893 793 H THR 94 H THR 94 0.146 15.070 1.210 794 HA THR 94 HA THR 94 2.123 16.253 3.030 795 HB THR 94 HB THR 94 0.141 17.604 3.843 796 HG1 THR 94 HG1 THR 94 -1.764 17.429 2.433 797 HG21 THR 94 3HG2 THR 94 1.576 18.513 2.026 798 HG22 THR 94 1HG2 THR 94 -0.112 18.993 1.821 799 HG23 THR 94 2HG2 THR 94 0.563 17.702 0.827 800 H LYS 95 H LYS 95 -0.354 13.784 2.950 801 HA LYS 95 HA LYS 95 -0.088 13.246 5.828 802 HB2 LYS 95 2HB LYS 95 -2.043 14.795 5.486 803 HB3 LYS 95 1HB LYS 95 -2.774 13.608 4.413 804 HG2 LYS 95 2HG LYS 95 -2.832 11.984 6.336 805 HG3 LYS 95 1HG LYS 95 -2.229 13.275 7.383 806 HD2 LYS 95 2HD LYS 95 -4.271 14.634 6.761 807 HD3 LYS 95 1HD LYS 95 -4.875 13.226 5.880 808 HE2 LYS 95 2HE LYS 95 -5.921 13.303 8.077 809 HE3 LYS 95 1HE LYS 95 -4.819 11.928 8.022 810 HZ1 LYS 95 3HZ LYS 95 -4.635 13.191 10.085 811 HZ2 LYS 95 1HZ LYS 95 -4.189 14.569 9.215 812 HZ3 LYS 95 2HZ LYS 95 -3.179 13.210 9.226 813 H ASN 96 H ASN 96 -0.100 11.105 6.292 814 HA ASN 96 HA ASN 96 -0.526 9.097 4.238 815 HB2 ASN 96 2HB ASN 96 1.296 8.931 5.997 816 HB3 ASN 96 1HB ASN 96 0.043 8.710 7.210 817 HD21 ASN 96 1HD2 ASN 96 2.226 6.959 6.404 818 HD22 ASN 96 2HD2 ASN 96 1.508 5.464 5.950 819 H VAL 97 H VAL 97 -2.591 8.731 3.725 820 HA VAL 97 HA VAL 97 -4.804 9.042 5.571 821 HB VAL 97 HB VAL 97 -6.222 8.477 3.614 822 HG11 VAL 97 1HG1 VAL 97 -5.529 10.824 3.933 823 HG12 VAL 97 2HG1 VAL 97 -5.660 10.448 2.215 824 HG13 VAL 97 3HG1 VAL 97 -4.072 10.542 2.976 825 HG21 VAL 97 3HG2 VAL 97 -3.603 8.052 2.110 826 HG22 VAL 97 1HG2 VAL 97 -5.213 8.060 1.384 827 HG23 VAL 97 2HG2 VAL 97 -4.769 6.797 2.533 828 H ALA 98 H ALA 98 -2.710 6.483 4.799 829 HA ALA 98 HA ALA 98 -4.565 4.314 5.476 830 HB1 ALA 98 3HB ALA 98 -2.665 2.813 5.004 831 HB2 ALA 98 1HB ALA 98 -1.612 4.212 4.772 832 HB3 ALA 98 2HB ALA 98 -2.945 3.919 3.656 833 H ALA 99 H ALA 99 -2.452 6.521 7.015 834 HA ALA 99 HA ALA 99 -1.831 5.048 9.395 835 HB1 ALA 99 3HB ALA 99 -2.033 8.055 8.993 836 HB2 ALA 99 1HB ALA 99 -0.580 7.079 8.768 837 HB3 ALA 99 2HB ALA 99 -1.289 7.245 10.377 838 H LYS 100 H LYS 100 -4.638 6.781 8.229 839 HA LYS 100 HA LYS 100 -6.125 6.774 10.716 840 HB2 LYS 100 2HB LYS 100 -6.963 7.178 7.807 841 HB3 LYS 100 1HB LYS 100 -8.097 7.268 9.155 842 HG2 LYS 100 2HG LYS 100 -5.687 9.075 8.741 843 HG3 LYS 100 1HG LYS 100 -7.375 9.497 8.422 844 HD2 LYS 100 2HD LYS 100 -7.882 9.138 10.856 845 HD3 LYS 100 1HD LYS 100 -6.168 8.826 11.144 846 HE2 LYS 100 2HE LYS 100 -5.640 11.129 10.385 847 HE3 LYS 100 1HE LYS 100 -7.359 11.431 10.122 848 HZ1 LYS 100 3HZ LYS 100 -6.116 10.759 12.734 849 HZ2 LYS 100 1HZ LYS 100 -7.753 11.093 12.468 850 HZ3 LYS 100 2HZ LYS 100 -6.590 12.300 12.238 851 H THR 101 H THR 101 -5.249 4.397 8.505 852 HA THR 101 HA THR 101 -7.595 2.676 8.906 853 HB THR 101 HB THR 101 -5.272 2.382 6.948 854 HG1 THR 101 HG1 THR 101 -6.534 4.281 6.587 855 HG21 THR 101 3HG2 THR 101 -8.004 1.049 7.010 856 HG22 THR 101 1HG2 THR 101 -6.466 0.258 7.375 857 HG23 THR 101 2HG2 THR 101 -6.789 0.854 5.746 858 H LYS 102 H LYS 102 -7.431 1.298 10.535 859 HA LYS 102 HA LYS 102 -4.838 0.172 11.390 860 HB2 LYS 102 2HB LYS 102 -7.519 0.288 12.849 861 HB3 LYS 102 1HB LYS 102 -6.016 -0.365 13.512 862 HG2 LYS 102 2HG LYS 102 -4.986 1.845 13.456 863 HG3 LYS 102 1HG LYS 102 -6.407 2.533 12.665 864 HD2 LYS 102 2HD LYS 102 -6.328 1.347 15.473 865 HD3 LYS 102 1HD LYS 102 -6.338 3.070 15.083 866 HE2 LYS 102 2HE LYS 102 -8.579 2.799 14.040 867 HE3 LYS 102 1HE LYS 102 -8.563 1.087 14.466 868 HZ1 LYS 102 3HZ LYS 102 -8.524 1.675 16.777 869 HZ2 LYS 102 1HZ LYS 102 -9.829 2.440 16.027 870 HZ3 LYS 102 2HZ LYS 102 -8.440 3.323 16.411 871 H LEU 103 H LEU 103 -4.879 -2.100 12.135 872 HA LEU 103 HA LEU 103 -6.154 -3.978 10.407 873 HB2 LEU 103 2HB LEU 103 -3.992 -4.458 11.535 874 HB3 LEU 103 1HB LEU 103 -4.780 -4.373 13.100 875 HG LEU 103 HG LEU 103 -6.138 -6.392 12.513 876 HD11 LEU 103 1HD1 LEU 103 -6.163 -6.220 10.092 877 HD12 LEU 103 2HD1 LEU 103 -5.538 -7.788 10.593 878 HD13 LEU 103 3HD1 LEU 103 -4.428 -6.540 10.016 879 HD21 LEU 103 3HD2 LEU 103 -3.136 -6.820 12.362 880 HD22 LEU 103 1HD2 LEU 103 -4.339 -8.052 12.760 881 HD23 LEU 103 2HD2 LEU 103 -4.102 -6.675 13.831 882 HA PRO 104 HA PRO 104 -10.190 -3.987 12.664 883 HB2 PRO 104 2HB PRO 104 -11.224 -6.185 11.281 884 HB3 PRO 104 1HB PRO 104 -11.328 -4.511 10.718 885 HG2 PRO 104 2HG PRO 104 -9.337 -6.649 9.959 886 HG3 PRO 104 1HG PRO 104 -10.183 -5.487 8.913 887 HD2 PRO 104 2HD PRO 104 -7.626 -5.082 9.639 888 HD3 PRO 104 1HD PRO 104 -8.753 -3.710 9.522 889 H LYS 105 H LYS 105 -10.251 -4.818 14.667 890 HA LYS 105 HA LYS 105 -8.581 -6.886 15.624 891 HB2 LYS 105 2HB LYS 105 -11.039 -5.638 16.938 892 HB3 LYS 105 1HB LYS 105 -9.843 -6.631 17.771 893 HG2 LYS 105 2HG LYS 105 -8.110 -4.931 17.307 894 HG3 LYS 105 1HG LYS 105 -9.300 -3.937 16.461 895 HD2 LYS 105 2HD LYS 105 -9.552 -4.719 19.401 896 HD3 LYS 105 1HD LYS 105 -8.745 -3.250 18.859 897 HE2 LYS 105 2HE LYS 105 -10.942 -2.589 19.489 898 HE3 LYS 105 1HE LYS 105 -10.949 -2.608 17.732 899 HZ1 LYS 105 3HZ LYS 105 -12.015 -4.760 19.467 900 HZ2 LYS 105 1HZ LYS 105 -12.080 -4.721 17.778 901 HZ3 LYS 105 2HZ LYS 105 -12.942 -3.585 18.683 902 H ALA 106 H ALA 106 -8.837 -9.016 15.597 903 HA ALA 106 HA ALA 106 -11.503 -10.259 15.114 904 HB1 ALA 106 3HB ALA 106 -8.833 -11.080 13.886 905 HB2 ALA 106 1HB ALA 106 -10.142 -10.237 13.049 906 HB3 ALA 106 2HB ALA 106 -10.387 -11.885 13.628 907 H ASP 107 H ASP 107 -9.849 -9.768 17.556 908 HA ASP 107 HA ASP 107 -8.679 -12.326 18.343 909 HB2 ASP 107 2HB ASP 107 -8.742 -9.629 19.773 910 HB3 ASP 107 1HB ASP 107 -7.841 -11.050 20.302 911 H LYS 108 H LYS 108 -9.117 -13.250 20.447 912 HA LYS 108 HA LYS 108 -11.857 -13.130 21.382 913 HB2 LYS 108 2HB LYS 108 -9.397 -14.603 22.432 914 HB3 LYS 108 1HB LYS 108 -10.978 -14.692 23.200 915 HG2 LYS 108 2HG LYS 108 -10.281 -15.654 20.403 916 HG3 LYS 108 1HG LYS 108 -10.580 -16.661 21.825 917 HD2 LYS 108 2HD LYS 108 -12.926 -15.586 21.896 918 HD3 LYS 108 1HD LYS 108 -12.568 -14.946 20.291 919 HE2 LYS 108 2HE LYS 108 -12.762 -17.862 21.104 920 HE3 LYS 108 1HE LYS 108 -13.852 -16.968 20.042 921 HZ1 LYS 108 3HZ LYS 108 -11.950 -16.695 18.509 922 HZ2 LYS 108 1HZ LYS 108 -12.407 -18.305 18.731 923 HZ3 LYS 108 2HZ LYS 108 -11.030 -17.707 19.501 924 H GLU 109 H GLU 109 -11.802 -10.834 21.712 925 HA GLU 109 HA GLU 109 -10.198 -9.575 23.701 926 HB2 GLU 109 2HB GLU 109 -12.791 -8.699 22.351 927 HB3 GLU 109 1HB GLU 109 -11.822 -7.683 23.417 928 HG2 GLU 109 2HG GLU 109 -9.896 -7.916 21.848 929 HG3 GLU 109 1HG GLU 109 -10.935 -8.840 20.757 930 H GLU 110 H GLU 110 -11.388 -8.285 25.487 931 HA GLU 110 HA GLU 110 -12.394 -10.363 27.290 932 HB2 GLU 110 2HB GLU 110 -11.820 -8.726 29.082 933 HB3 GLU 110 1HB GLU 110 -10.462 -9.106 28.031 934 HG2 GLU 110 2HG GLU 110 -10.862 -6.958 26.810 935 HG3 GLU 110 1HG GLU 110 -12.140 -6.581 27.962 936 H LEU 111 H LEU 111 -14.351 -9.812 25.544 937 HA LEU 111 HA LEU 111 -16.204 -7.785 26.406 938 HB2 LEU 111 2HB LEU 111 -16.673 -10.190 24.585 939 HB3 LEU 111 1HB LEU 111 -17.728 -8.791 24.742 940 HG LEU 111 HG LEU 111 -14.911 -8.776 23.565 941 HD11 LEU 111 1HD1 LEU 111 -17.592 -8.462 22.167 942 HD12 LEU 111 2HD1 LEU 111 -16.520 -9.865 22.083 943 HD13 LEU 111 3HD1 LEU 111 -15.998 -8.322 21.414 944 HD21 LEU 111 3HD2 LEU 111 -15.346 -6.430 22.942 945 HD22 LEU 111 1HD2 LEU 111 -15.362 -6.649 24.691 946 HD23 LEU 111 2HD2 LEU 111 -16.883 -6.470 23.811 947 H GLU 112 H GLU 112 -15.339 -10.744 27.699 948 HA GLU 112 HA GLU 112 -17.812 -11.780 28.687 949 HB2 GLU 112 2HB GLU 112 -16.352 -13.250 30.054 950 HB3 GLU 112 1HB GLU 112 -15.806 -13.189 28.383 951 HG2 GLU 112 2HG GLU 112 -13.996 -11.640 29.003 952 HG3 GLU 112 1HG GLU 112 -14.557 -11.629 30.675 953 H HIS 113 H HIS 113 -17.318 -12.262 31.376 954 HA HIS 113 HA HIS 113 -18.621 -10.243 32.679 955 HB2 HIS 113 2HB HIS 113 -17.984 -11.389 34.808 956 HB3 HIS 113 1HB HIS 113 -18.538 -12.503 33.568 957 HD1 HIS 113 HD1 HIS 113 -15.526 -11.604 35.589 958 HD2 HIS 113 HD2 HIS 113 -16.553 -14.292 32.590 959 HE1 HIS 113 HE1 HIS 113 -13.621 -13.237 35.470 960 HE2 HIS 113 HE2 HIS 113 -14.163 -14.699 33.496 961 H HIS 114 H HIS 114 -17.958 -8.191 32.737 962 HA HIS 114 HA HIS 114 -15.544 -7.500 34.314 963 HB2 HIS 114 2HB HIS 114 -17.148 -5.884 32.272 964 HB3 HIS 114 1HB HIS 114 -16.036 -5.120 33.399 965 HD1 HIS 114 HD1 HIS 114 -15.659 -4.890 30.386 966 HD2 HIS 114 HD2 HIS 114 -13.788 -7.762 32.725 967 HE1 HIS 114 HE1 HIS 114 -13.535 -5.429 29.182 968 HE2 HIS 114 HE2 HIS 114 -12.381 -7.126 30.649 969 H HIS 115 H HIS 115 -17.886 -8.623 35.422 970 HA HIS 115 HA HIS 115 -20.003 -6.884 36.000 971 HB2 HIS 115 2HB HIS 115 -20.294 -9.300 36.113 972 HB3 HIS 115 1HB HIS 115 -19.139 -9.420 37.437 973 HD1 HIS 115 HD1 HIS 115 -20.014 -9.080 39.766 974 HD2 HIS 115 HD2 HIS 115 -22.808 -8.049 36.871 975 HE1 HIS 115 HE1 HIS 115 -22.151 -8.683 41.015 976 HE2 HIS 115 HE2 HIS 115 -23.831 -8.051 39.245 977 H HIS 116 H HIS 116 -19.846 -5.109 37.093 978 HA HIS 116 HA HIS 116 -18.072 -4.645 39.339 979 HB2 HIS 116 2HB HIS 116 -20.311 -2.898 38.187 980 HB3 HIS 116 1HB HIS 116 -19.075 -2.381 39.335 981 HD1 HIS 116 HD1 HIS 116 -19.747 -2.689 35.763 982 HD2 HIS 116 HD2 HIS 116 -16.394 -2.382 38.195 983 HE1 HIS 116 HE1 HIS 116 -17.856 -2.108 34.216 984 HE2 HIS 116 HE2 HIS 116 -15.815 -2.099 35.694 985 H HIS 117 H HIS 117 -18.908 -4.038 41.479 986 HA HIS 117 HA HIS 117 -21.141 -5.789 42.252 987 HB2 HIS 117 2HB HIS 117 -18.977 -4.418 43.906 988 HB3 HIS 117 1HB HIS 117 -20.231 -5.461 44.577 989 HD1 HIS 117 HD1 HIS 117 -16.971 -5.568 42.812 990 HD2 HIS 117 HD2 HIS 117 -20.022 -8.220 43.797 991 HE1 HIS 117 HE1 HIS 117 -16.034 -7.858 42.378 992 HE2 HIS 117 HE2 HIS 117 -17.945 -9.437 42.830 993 H HIS 118 H HIS 118 -22.089 -3.710 40.893 994 HA HIS 118 HA HIS 118 -23.054 -1.614 42.713 995 HB2 HIS 118 2HB HIS 118 -22.233 -0.859 40.523 996 HB3 HIS 118 1HB HIS 118 -23.304 -1.973 39.688 997 HD1 HIS 118 HD1 HIS 118 -25.840 -1.387 39.672 998 HD2 HIS 118 HD2 HIS 118 -23.393 1.577 41.243 999 HE1 HIS 118 HE1 HIS 118 -27.250 0.686 39.706 1000 HE2 HIS 118 HE2 HIS 118 -25.798 2.426 40.804 Start of MODEL 13 1 H1 MET 1 1H MET 1 -1.552 23.288 -8.938 2 H2 MET 1 2H MET 1 0.070 22.865 -9.114 3 H3 MET 1 3H MET 1 -0.351 24.445 -8.677 4 HA MET 1 HA MET 1 0.484 23.136 -6.822 5 HB2 MET 1 2HB MET 1 -1.150 25.035 -6.530 6 HB3 MET 1 1HB MET 1 -2.469 23.871 -6.557 7 HG2 MET 1 2HG MET 1 -1.957 24.473 -4.270 8 HG3 MET 1 1HG MET 1 -1.515 22.785 -4.545 9 HE1 MET 1 3HE MET 1 1.595 26.220 -4.341 10 HE2 MET 1 1HE MET 1 -0.139 26.480 -4.161 11 HE3 MET 1 2HE MET 1 0.529 26.005 -5.726 12 H GLU 2 H GLU 2 0.642 21.166 -5.951 13 HA GLU 2 HA GLU 2 0.472 18.941 -5.655 14 HB2 GLU 2 2HB GLU 2 -2.435 19.680 -5.162 15 HB3 GLU 2 1HB GLU 2 -1.664 18.187 -4.625 16 HG2 GLU 2 2HG GLU 2 -0.158 19.460 -3.174 17 HG3 GLU 2 1HG GLU 2 -0.840 20.977 -3.760 18 HA PRO 3 HA PRO 3 -1.300 18.039 -9.901 19 HB2 PRO 3 2HB PRO 3 0.986 17.511 -11.265 20 HB3 PRO 3 1HB PRO 3 0.433 19.169 -10.994 21 HG2 PRO 3 2HG PRO 3 2.548 17.609 -9.524 22 HG3 PRO 3 1HG PRO 3 2.586 19.299 -10.076 23 HD2 PRO 3 2HD PRO 3 1.986 18.541 -7.484 24 HD3 PRO 3 1HD PRO 3 1.419 20.053 -8.219 25 H SER 4 H SER 4 -2.129 16.041 -10.051 26 HA SER 4 HA SER 4 -0.900 13.747 -8.767 27 HB2 SER 4 2HB SER 4 -2.981 12.554 -9.534 28 HB3 SER 4 1HB SER 4 -3.312 13.984 -8.563 29 HG SER 4 HG SER 4 -3.616 15.091 -10.626 30 H LYS 5 H LYS 5 1.027 13.944 -10.094 31 HA LYS 5 HA LYS 5 0.906 13.281 -12.928 32 HB2 LYS 5 2HB LYS 5 3.328 13.732 -11.124 33 HB3 LYS 5 1HB LYS 5 3.351 13.609 -12.885 34 HG2 LYS 5 2HG LYS 5 1.959 15.688 -12.992 35 HG3 LYS 5 1HG LYS 5 2.070 15.808 -11.235 36 HD2 LYS 5 2HD LYS 5 3.722 17.285 -12.243 37 HD3 LYS 5 1HD LYS 5 4.546 15.960 -11.413 38 HE2 LYS 5 2HE LYS 5 4.805 14.796 -13.613 39 HE3 LYS 5 1HE LYS 5 4.062 16.186 -14.406 40 HZ1 LYS 5 3HZ LYS 5 6.599 16.172 -12.881 41 HZ2 LYS 5 1HZ LYS 5 5.885 17.551 -13.550 42 HZ3 LYS 5 2HZ LYS 5 6.436 16.306 -14.556 43 H LEU 6 H LEU 6 2.496 11.992 -10.024 44 HA LEU 6 HA LEU 6 3.383 9.575 -11.258 45 HB2 LEU 6 2HB LEU 6 4.614 10.746 -9.450 46 HB3 LEU 6 1HB LEU 6 3.301 10.411 -8.335 47 HG LEU 6 HG LEU 6 3.782 7.997 -8.435 48 HD11 LEU 6 1HD1 LEU 6 6.030 8.704 -10.351 49 HD12 LEU 6 2HD1 LEU 6 4.569 7.790 -10.736 50 HD13 LEU 6 3HD1 LEU 6 5.755 7.118 -9.622 51 HD21 LEU 6 3HD2 LEU 6 6.267 9.652 -7.866 52 HD22 LEU 6 1HD2 LEU 6 5.975 8.003 -7.301 53 HD23 LEU 6 2HD2 LEU 6 4.949 9.319 -6.741 54 H SER 7 H SER 7 2.092 7.880 -11.679 55 HA SER 7 HA SER 7 -0.351 7.202 -10.400 56 HB2 SER 7 2HB SER 7 0.145 6.350 -12.636 57 HB3 SER 7 1HB SER 7 1.602 5.542 -12.061 58 HG SER 7 HG SER 7 -1.061 4.792 -11.850 59 H TYR 8 H TYR 8 -0.731 5.892 -8.606 60 HA TYR 8 HA TYR 8 1.334 5.579 -6.687 61 HB2 TYR 8 2HB TYR 8 -1.040 5.886 -6.068 62 HB3 TYR 8 1HB TYR 8 -1.430 4.304 -6.736 63 HD1 TYR 8 HD1 TYR 8 1.240 5.592 -4.387 64 HD2 TYR 8 HD2 TYR 8 -1.883 2.753 -5.009 65 HE1 TYR 8 HE1 TYR 8 1.704 4.596 -2.188 66 HE2 TYR 8 HE2 TYR 8 -1.422 1.765 -2.807 67 HH TYR 8 HH TYR 8 0.508 3.254 -0.474 68 H GLY 9 H GLY 9 -0.124 3.352 -9.024 69 HA2 GLY 9 2HA GLY 9 1.016 0.916 -8.134 70 HA3 GLY 9 1HA GLY 9 0.472 1.264 -9.767 71 H GLU 10 H GLU 10 2.212 3.400 -10.374 72 HA GLU 10 HA GLU 10 4.654 2.060 -11.068 73 HB2 GLU 10 2HB GLU 10 3.882 5.005 -11.264 74 HB3 GLU 10 1HB GLU 10 5.329 4.295 -11.984 75 HG2 GLU 10 2HG GLU 10 2.460 3.614 -12.697 76 HG3 GLU 10 1HG GLU 10 3.546 4.630 -13.638 77 H TYR 11 H TYR 11 3.660 4.371 -8.601 78 HA TYR 11 HA TYR 11 6.200 5.078 -7.575 79 HB2 TYR 11 2HB TYR 11 4.244 6.436 -7.029 80 HB3 TYR 11 1HB TYR 11 3.453 5.072 -6.247 81 HD1 TYR 11 HD1 TYR 11 6.870 6.645 -5.960 82 HD2 TYR 11 HD2 TYR 11 3.342 5.382 -3.911 83 HE1 TYR 11 HE1 TYR 11 7.890 7.266 -3.824 84 HE2 TYR 11 HE2 TYR 11 4.367 6.014 -1.772 85 HH TYR 11 HH TYR 11 6.457 6.457 -0.802 86 H LEU 12 H LEU 12 3.998 2.423 -6.879 87 HA LEU 12 HA LEU 12 5.216 1.438 -4.529 88 HB2 LEU 12 2HB LEU 12 3.415 0.150 -6.595 89 HB3 LEU 12 1HB LEU 12 3.953 -0.709 -5.161 90 HG LEU 12 HG LEU 12 2.350 1.875 -5.114 91 HD11 LEU 12 1HD1 LEU 12 0.447 0.521 -4.389 92 HD12 LEU 12 2HD1 LEU 12 1.395 -0.951 -4.622 93 HD13 LEU 12 3HD1 LEU 12 0.989 0.067 -6.004 94 HD21 LEU 12 3HD2 LEU 12 2.071 1.373 -2.698 95 HD22 LEU 12 1HD2 LEU 12 3.748 1.683 -3.143 96 HD23 LEU 12 2HD2 LEU 12 3.202 0.030 -2.864 97 H GLU 13 H GLU 13 5.836 0.883 -7.925 98 HA GLU 13 HA GLU 13 7.682 -1.279 -7.662 99 HB2 GLU 13 2HB GLU 13 7.451 0.796 -9.884 100 HB3 GLU 13 1HB GLU 13 8.287 -0.752 -10.006 101 HG2 GLU 13 2HG GLU 13 5.303 -0.408 -9.543 102 HG3 GLU 13 1HG GLU 13 6.058 -0.721 -11.102 103 H SER 14 H SER 14 8.028 2.253 -7.856 104 HA SER 14 HA SER 14 10.877 2.383 -7.884 105 HB2 SER 14 2HB SER 14 8.856 4.490 -6.996 106 HB3 SER 14 1HB SER 14 10.545 4.787 -7.428 107 HG SER 14 HG SER 14 9.245 3.413 -9.368 108 H TRP 15 H TRP 15 8.475 2.709 -5.309 109 HA TRP 15 HA TRP 15 10.134 3.130 -3.096 110 HB2 TRP 15 2HB TRP 15 7.769 3.541 -2.815 111 HB3 TRP 15 1HB TRP 15 7.341 1.918 -3.347 112 HD1 TRP 15 HD1 TRP 15 8.932 3.718 -0.287 113 HE1 TRP 15 HE1 TRP 15 8.531 2.279 1.793 114 HE3 TRP 15 HE3 TRP 15 6.878 -0.413 -2.520 115 HZ2 TRP 15 HZ2 TRP 15 7.530 -0.273 2.422 116 HZ3 TRP 15 HZ3 TRP 15 6.251 -2.322 -1.098 117 HH2 TRP 15 HH2 TRP 15 6.571 -2.255 1.329 118 H PHE 16 H PHE 16 8.759 0.170 -4.484 119 HA PHE 16 HA PHE 16 9.720 -1.770 -2.754 120 HB2 PHE 16 2HB PHE 16 8.061 -2.417 -4.342 121 HB3 PHE 16 1HB PHE 16 9.004 -1.824 -5.702 122 HD1 PHE 16 HD2 PHE 16 9.208 -4.386 -2.975 123 HD2 PHE 16 HD1 PHE 16 10.131 -3.392 -7.028 124 HE1 PHE 16 HE2 PHE 16 10.139 -6.619 -3.327 125 HE2 PHE 16 HE1 PHE 16 11.066 -5.641 -7.354 126 HZ PHE 16 HZ PHE 16 11.072 -7.255 -5.492 127 H ASN 17 H ASN 17 11.234 -0.540 -5.738 128 HA ASN 17 HA ASN 17 13.546 -2.166 -5.688 129 HB2 ASN 17 2HB ASN 17 12.947 0.468 -7.082 130 HB3 ASN 17 1HB ASN 17 14.472 -0.386 -7.303 131 HD21 ASN 17 1HD2 ASN 17 12.319 0.232 -9.226 132 HD22 ASN 17 2HD2 ASN 17 11.867 -1.282 -9.919 133 H THR 18 H THR 18 12.912 1.056 -4.370 134 HA THR 18 HA THR 18 15.486 1.520 -3.245 135 HB THR 18 HB THR 18 12.763 2.649 -2.446 136 HG1 THR 18 HG1 THR 18 14.027 2.935 -4.698 137 HG21 THR 18 3HG2 THR 18 14.442 3.069 -0.679 138 HG22 THR 18 1HG2 THR 18 14.037 4.571 -1.518 139 HG23 THR 18 2HG2 THR 18 15.551 3.738 -1.874 140 H LYS 19 H LYS 19 12.651 -0.254 -2.197 141 HA LYS 19 HA LYS 19 13.297 -0.309 0.615 142 HB2 LYS 19 2HB LYS 19 10.917 -0.300 -0.429 143 HB3 LYS 19 1HB LYS 19 11.181 -1.999 -0.788 144 HG2 LYS 19 2HG LYS 19 9.928 -1.878 1.251 145 HG3 LYS 19 1HG LYS 19 11.571 -2.377 1.682 146 HD2 LYS 19 2HD LYS 19 12.123 -0.057 2.340 147 HD3 LYS 19 1HD LYS 19 10.509 0.477 1.855 148 HE2 LYS 19 2HE LYS 19 10.630 0.241 4.274 149 HE3 LYS 19 1HE LYS 19 9.526 -0.964 3.611 150 HZ1 LYS 19 3HZ LYS 19 12.329 -1.436 4.458 151 HZ2 LYS 19 1HZ LYS 19 11.310 -2.599 3.773 152 HZ3 LYS 19 2HZ LYS 19 10.935 -1.927 5.275 153 H ARG 20 H ARG 20 13.904 -2.264 -2.178 154 HA ARG 20 HA ARG 20 14.641 -4.717 -1.034 155 HB2 ARG 20 2HB ARG 20 15.654 -3.281 -3.512 156 HB3 ARG 20 1HB ARG 20 16.143 -4.924 -3.102 157 HG2 ARG 20 2HG ARG 20 13.851 -5.710 -3.309 158 HG3 ARG 20 1HG ARG 20 13.268 -4.065 -3.568 159 HD2 ARG 20 2HD ARG 20 13.426 -5.344 -5.681 160 HD3 ARG 20 1HD ARG 20 14.481 -3.926 -5.683 161 HE ARG 20 HE ARG 20 15.865 -6.260 -4.807 162 HH11 ARG 20 1HH1 ARG 20 14.766 -4.648 -7.724 163 HH12 ARG 20 2HH1 ARG 20 15.939 -5.435 -8.730 164 HH21 ARG 20 1HH2 ARG 20 17.405 -7.268 -6.147 165 HH22 ARG 20 2HH2 ARG 20 17.422 -6.909 -7.845 166 H HIS 21 H HIS 21 16.364 -1.642 -1.155 167 HA HIS 21 HA HIS 21 18.884 -2.641 -0.191 168 HB2 HIS 21 2HB HIS 21 17.740 0.184 -0.059 169 HB3 HIS 21 1HB HIS 21 19.418 -0.247 0.247 170 HD1 HIS 21 HD1 HIS 21 20.949 -0.449 -1.758 171 HD2 HIS 21 HD2 HIS 21 16.951 -0.031 -2.812 172 HE1 HIS 21 HE1 HIS 21 20.942 -0.048 -4.239 173 HE2 HIS 21 HE2 HIS 21 18.530 0.384 -4.812 174 H SER 22 H SER 22 15.853 -1.815 1.267 175 HA SER 22 HA SER 22 16.817 -1.494 3.993 176 HB2 SER 22 2HB SER 22 14.949 -0.115 3.287 177 HB3 SER 22 1HB SER 22 14.031 -1.523 2.762 178 HG SER 22 HG SER 22 14.770 -0.885 5.431 179 H VAL 23 H VAL 23 15.024 -3.926 2.119 180 HA VAL 23 HA VAL 23 15.052 -5.816 4.411 181 HB VAL 23 HB VAL 23 12.967 -6.815 3.601 182 HG11 VAL 23 1HG1 VAL 23 12.637 -3.803 3.865 183 HG12 VAL 23 2HG1 VAL 23 12.730 -4.963 5.192 184 HG13 VAL 23 3HG1 VAL 23 11.362 -5.009 4.083 185 HG21 VAL 23 3HG2 VAL 23 11.645 -5.859 1.720 186 HG22 VAL 23 1HG2 VAL 23 13.206 -6.481 1.181 187 HG23 VAL 23 2HG2 VAL 23 12.967 -4.746 1.367 188 H GLY 24 H GLY 24 15.179 -8.103 3.812 189 HA2 GLY 24 2HA GLY 24 17.069 -8.716 1.784 190 HA3 GLY 24 1HA GLY 24 16.111 -9.879 2.694 191 H ILE 25 H ILE 25 16.760 -10.084 -0.088 192 HA ILE 25 HA ILE 25 14.695 -9.288 -1.836 193 HB ILE 25 HB ILE 25 16.697 -11.569 -2.001 194 HG12 ILE 25 2HG1 ILE 25 17.687 -9.322 -2.070 195 HG13 ILE 25 1HG1 ILE 25 17.850 -10.087 -3.648 196 HG21 ILE 25 1HG2 ILE 25 14.815 -10.714 -4.227 197 HG22 ILE 25 2HG2 ILE 25 14.831 -12.273 -3.399 198 HG23 ILE 25 3HG2 ILE 25 16.190 -11.804 -4.425 199 HD11 ILE 25 3HD1 ILE 25 15.922 -8.772 -4.455 200 HD12 ILE 25 1HD1 ILE 25 17.254 -7.768 -3.889 201 HD13 ILE 25 2HD1 ILE 25 15.827 -7.980 -2.879 202 H GLN 26 H GLN 26 15.005 -12.135 0.227 203 HA GLN 26 HA GLN 26 12.754 -13.602 -0.657 204 HB2 GLN 26 2HB GLN 26 12.930 -14.817 1.479 205 HB3 GLN 26 1HB GLN 26 14.514 -14.601 0.745 206 HG2 GLN 26 2HG GLN 26 14.978 -12.737 2.307 207 HG3 GLN 26 1HG GLN 26 13.398 -12.968 3.050 208 HE21 GLN 26 1HE2 GLN 26 15.538 -15.618 2.045 209 HE22 GLN 26 2HE2 GLN 26 15.877 -16.181 3.642 210 H THR 27 H THR 27 13.067 -10.887 1.524 211 HA THR 27 HA THR 27 10.352 -11.024 2.572 212 HB THR 27 HB THR 27 12.415 -8.793 2.895 213 HG1 THR 27 HG1 THR 27 12.003 -11.205 4.344 214 HG21 THR 27 3HG2 THR 27 9.989 -9.504 4.605 215 HG22 THR 27 1HG2 THR 27 10.112 -8.112 3.526 216 HG23 THR 27 2HG2 THR 27 11.152 -8.222 4.947 217 H ALA 28 H ALA 28 12.195 -9.323 0.129 218 HA ALA 28 HA ALA 28 10.474 -7.120 -0.395 219 HB1 ALA 28 3HB ALA 28 11.884 -6.786 -2.391 220 HB2 ALA 28 1HB ALA 28 12.597 -8.385 -2.167 221 HB3 ALA 28 2HB ALA 28 12.880 -7.117 -0.973 222 H LYS 29 H LYS 29 10.896 -10.294 -1.864 223 HA LYS 29 HA LYS 29 9.068 -10.189 -3.970 224 HB2 LYS 29 2HB LYS 29 10.774 -11.944 -3.674 225 HB3 LYS 29 1HB LYS 29 9.945 -12.552 -2.254 226 HG2 LYS 29 2HG LYS 29 8.539 -12.544 -4.939 227 HG3 LYS 29 1HG LYS 29 9.728 -13.793 -4.578 228 HD2 LYS 29 2HD LYS 29 7.145 -13.247 -3.058 229 HD3 LYS 29 1HD LYS 29 7.486 -14.624 -4.109 230 HE2 LYS 29 2HE LYS 29 9.260 -15.365 -2.526 231 HE3 LYS 29 1HE LYS 29 8.875 -14.000 -1.473 232 HZ1 LYS 29 3HZ LYS 29 7.803 -15.977 -0.688 233 HZ2 LYS 29 1HZ LYS 29 7.059 -16.231 -2.186 234 HZ3 LYS 29 2HZ LYS 29 6.627 -14.898 -1.246 235 H VAL 30 H VAL 30 8.592 -10.782 -0.540 236 HA VAL 30 HA VAL 30 5.861 -11.652 -0.665 237 HB VAL 30 HB VAL 30 7.425 -10.523 1.705 238 HG11 VAL 30 1HG1 VAL 30 5.761 -11.692 3.126 239 HG12 VAL 30 2HG1 VAL 30 4.858 -12.162 1.684 240 HG13 VAL 30 3HG1 VAL 30 5.006 -10.459 2.118 241 HG21 VAL 30 3HG2 VAL 30 7.832 -12.889 2.346 242 HG22 VAL 30 1HG2 VAL 30 8.540 -12.498 0.778 243 HG23 VAL 30 2HG2 VAL 30 7.041 -13.420 0.857 244 H LEU 31 H LEU 31 7.508 -8.556 -0.053 245 HA LEU 31 HA LEU 31 5.271 -6.987 0.670 246 HB2 LEU 31 2HB LEU 31 7.818 -6.019 -0.696 247 HB3 LEU 31 1HB LEU 31 6.664 -5.014 0.171 248 HG LEU 31 HG LEU 31 8.546 -7.085 1.359 249 HD11 LEU 31 1HD1 LEU 31 9.632 -4.977 0.785 250 HD12 LEU 31 2HD1 LEU 31 9.553 -5.183 2.530 251 HD13 LEU 31 3HD1 LEU 31 8.436 -4.078 1.724 252 HD21 LEU 31 3HD2 LEU 31 6.441 -7.231 2.576 253 HD22 LEU 31 1HD2 LEU 31 6.417 -5.481 2.814 254 HD23 LEU 31 2HD2 LEU 31 7.665 -6.466 3.582 255 H LYS 32 H LYS 32 6.902 -7.375 -2.496 256 HA LYS 32 HA LYS 32 4.995 -5.726 -3.899 257 HB2 LYS 32 2HB LYS 32 7.370 -5.867 -4.631 258 HB3 LYS 32 1HB LYS 32 7.134 -7.562 -5.048 259 HG2 LYS 32 2HG LYS 32 5.374 -6.865 -6.689 260 HG3 LYS 32 1HG LYS 32 5.743 -5.180 -6.317 261 HD2 LYS 32 2HD LYS 32 7.954 -5.380 -7.261 262 HD3 LYS 32 1HD LYS 32 7.789 -7.134 -7.425 263 HE2 LYS 32 2HE LYS 32 6.083 -6.873 -9.125 264 HE3 LYS 32 1HE LYS 32 6.018 -5.131 -8.865 265 HZ1 LYS 32 3HZ LYS 32 8.125 -4.860 -9.795 266 HZ2 LYS 32 1HZ LYS 32 7.274 -5.873 -10.841 267 HZ3 LYS 32 2HZ LYS 32 8.442 -6.523 -9.808 268 H GLY 33 H GLY 33 5.391 -9.148 -3.245 269 HA2 GLY 33 2HA GLY 33 3.526 -10.289 -5.005 270 HA3 GLY 33 1HA GLY 33 3.893 -10.884 -3.388 271 H TYR 34 H TYR 34 3.094 -8.585 -1.950 272 HA TYR 34 HA TYR 34 0.232 -8.860 -1.835 273 HB2 TYR 34 2HB TYR 34 2.162 -7.023 -0.346 274 HB3 TYR 34 1HB TYR 34 0.431 -7.098 -0.018 275 HD1 TYR 34 HD2 TYR 34 0.315 -10.221 -0.450 276 HD2 TYR 34 HD1 TYR 34 2.767 -7.681 1.954 277 HE1 TYR 34 HE2 TYR 34 0.662 -12.053 1.118 278 HE2 TYR 34 HE1 TYR 34 3.103 -9.533 3.538 279 HH TYR 34 HH TYR 34 2.307 -12.734 2.782 280 H LEU 35 H LEU 35 2.516 -6.429 -3.057 281 HA LEU 35 HA LEU 35 0.681 -4.301 -3.399 282 HB2 LEU 35 2HB LEU 35 3.307 -4.896 -4.798 283 HB3 LEU 35 1HB LEU 35 2.400 -3.414 -5.066 284 HG LEU 35 HG LEU 35 3.563 -4.301 -2.397 285 HD11 LEU 35 1HD1 LEU 35 5.328 -3.654 -3.954 286 HD12 LEU 35 2HD1 LEU 35 5.161 -2.458 -2.672 287 HD13 LEU 35 3HD1 LEU 35 4.515 -2.126 -4.278 288 HD21 LEU 35 3HD2 LEU 35 1.522 -3.032 -2.046 289 HD22 LEU 35 1HD2 LEU 35 2.075 -1.758 -3.133 290 HD23 LEU 35 2HD2 LEU 35 2.910 -2.043 -1.606 291 H ASN 36 H ASN 36 2.020 -6.480 -5.918 292 HA ASN 36 HA ASN 36 0.425 -5.371 -7.991 293 HB2 ASN 36 2HB ASN 36 2.196 -7.830 -7.862 294 HB3 ASN 36 1HB ASN 36 1.298 -7.416 -9.316 295 HD21 ASN 36 1HD2 ASN 36 2.842 -5.039 -7.152 296 HD22 ASN 36 2HD2 ASN 36 4.028 -4.516 -8.289 297 H SER 37 H SER 37 -0.113 -8.069 -5.803 298 HA SER 37 HA SER 37 -2.273 -9.207 -7.389 299 HB2 SER 37 2HB SER 37 -0.797 -10.698 -6.103 300 HB3 SER 37 1HB SER 37 -1.283 -9.916 -4.599 301 HG SER 37 HG SER 37 -3.015 -11.314 -6.374 302 H ARG 38 H ARG 38 -1.961 -7.298 -4.387 303 HA ARG 38 HA ARG 38 -4.885 -7.288 -4.014 304 HB2 ARG 38 2HB ARG 38 -2.681 -6.444 -2.093 305 HB3 ARG 38 1HB ARG 38 -4.398 -6.422 -1.724 306 HG2 ARG 38 2HG ARG 38 -2.818 -8.933 -2.384 307 HG3 ARG 38 1HG ARG 38 -3.174 -8.371 -0.749 308 HD2 ARG 38 2HD ARG 38 -4.749 -10.117 -1.331 309 HD3 ARG 38 1HD ARG 38 -5.631 -8.588 -1.270 310 HE ARG 38 HE ARG 38 -4.669 -9.622 -3.862 311 HH11 ARG 38 1HH1 ARG 38 -7.415 -8.927 -1.790 312 HH12 ARG 38 2HH1 ARG 38 -8.564 -9.038 -3.082 313 HH21 ARG 38 1HH2 ARG 38 -6.168 -9.661 -5.546 314 HH22 ARG 38 2HH2 ARG 38 -7.856 -9.424 -5.212 315 H ILE 39 H ILE 39 -2.192 -4.884 -3.885 316 HA ILE 39 HA ILE 39 -4.044 -2.714 -3.566 317 HB ILE 39 HB ILE 39 -1.016 -2.652 -3.937 318 HG12 ILE 39 2HG1 ILE 39 -1.120 -1.838 -1.470 319 HG13 ILE 39 1HG1 ILE 39 -2.790 -2.384 -1.457 320 HG21 ILE 39 1HG2 ILE 39 -1.918 -0.545 -4.778 321 HG22 ILE 39 2HG2 ILE 39 -1.131 -0.258 -3.227 322 HG23 ILE 39 3HG2 ILE 39 -2.892 -0.338 -3.320 323 HD11 ILE 39 3HD1 ILE 39 -1.337 -3.982 -0.404 324 HD12 ILE 39 1HD1 ILE 39 -0.332 -4.091 -1.849 325 HD13 ILE 39 2HD1 ILE 39 -1.996 -4.680 -1.882 326 H ILE 40 H ILE 40 -2.008 -3.839 -6.310 327 HA ILE 40 HA ILE 40 -2.359 -1.542 -7.905 328 HB ILE 40 HB ILE 40 -1.293 -4.278 -8.485 329 HG12 ILE 40 2HG1 ILE 40 0.652 -2.973 -9.406 330 HG13 ILE 40 1HG1 ILE 40 -0.218 -1.477 -9.099 331 HG21 ILE 40 1HG2 ILE 40 -2.087 -2.433 -10.764 332 HG22 ILE 40 2HG2 ILE 40 -2.738 -4.037 -10.431 333 HG23 ILE 40 3HG2 ILE 40 -1.057 -3.856 -10.930 334 HD11 ILE 40 3HD1 ILE 40 0.804 -3.427 -7.050 335 HD12 ILE 40 1HD1 ILE 40 -0.155 -1.989 -6.684 336 HD13 ILE 40 2HD1 ILE 40 1.441 -1.825 -7.419 337 HA PRO 41 HA PRO 41 -6.256 -3.978 -9.994 338 HB2 PRO 41 2HB PRO 41 -7.093 -5.148 -7.330 339 HB3 PRO 41 1HB PRO 41 -7.440 -5.726 -8.969 340 HG2 PRO 41 2HG PRO 41 -5.549 -6.919 -7.552 341 HG3 PRO 41 1HG PRO 41 -5.261 -6.566 -9.271 342 HD2 PRO 41 2HD PRO 41 -4.205 -5.135 -6.840 343 HD3 PRO 41 1HD PRO 41 -3.396 -5.489 -8.382 344 H SER 42 H SER 42 -5.938 -2.490 -6.795 345 HA SER 42 HA SER 42 -8.532 -1.097 -7.049 346 HB2 SER 42 2HB SER 42 -8.165 -2.336 -4.947 347 HB3 SER 42 1HB SER 42 -6.680 -1.438 -4.648 348 HG SER 42 HG SER 42 -9.320 -0.410 -4.721 349 H LEU 43 H LEU 43 -5.344 -0.180 -5.687 350 HA LEU 43 HA LEU 43 -5.831 2.639 -6.294 351 HB2 LEU 43 2HB LEU 43 -3.681 1.328 -4.587 352 HB3 LEU 43 1HB LEU 43 -4.023 3.049 -4.665 353 HG LEU 43 HG LEU 43 -5.932 0.946 -3.569 354 HD11 LEU 43 1HD1 LEU 43 -4.222 2.945 -2.049 355 HD12 LEU 43 2HD1 LEU 43 -3.990 1.195 -2.099 356 HD13 LEU 43 3HD1 LEU 43 -5.437 1.866 -1.348 357 HD21 LEU 43 3HD2 LEU 43 -7.131 2.848 -4.531 358 HD22 LEU 43 1HD2 LEU 43 -6.157 3.978 -3.581 359 HD23 LEU 43 2HD2 LEU 43 -7.259 2.857 -2.776 360 H GLY 44 H GLY 44 -4.214 0.128 -7.803 361 HA2 GLY 44 2HA GLY 44 -1.636 1.049 -8.369 362 HA3 GLY 44 1HA GLY 44 -2.548 -0.075 -9.362 363 H ASN 45 H ASN 45 -4.550 1.400 -10.413 364 HA ASN 45 HA ASN 45 -3.139 3.147 -12.278 365 HB2 ASN 45 2HB ASN 45 -4.781 1.353 -13.035 366 HB3 ASN 45 1HB ASN 45 -6.074 2.324 -12.346 367 HD21 ASN 45 1HD2 ASN 45 -3.256 3.596 -14.140 368 HD22 ASN 45 2HD2 ASN 45 -4.173 4.179 -15.481 369 H ILE 46 H ILE 46 -4.806 3.547 -9.376 370 HA ILE 46 HA ILE 46 -5.805 6.237 -9.840 371 HB ILE 46 HB ILE 46 -5.408 4.657 -7.247 372 HG12 ILE 46 2HG1 ILE 46 -7.948 5.232 -8.848 373 HG13 ILE 46 1HG1 ILE 46 -7.129 3.678 -8.757 374 HG21 ILE 46 1HG2 ILE 46 -6.828 6.354 -6.136 375 HG22 ILE 46 2HG2 ILE 46 -6.852 7.312 -7.618 376 HG23 ILE 46 3HG2 ILE 46 -5.334 7.065 -6.751 377 HD11 ILE 46 3HD1 ILE 46 -9.112 3.714 -7.368 378 HD12 ILE 46 1HD1 ILE 46 -8.496 5.100 -6.467 379 HD13 ILE 46 2HD1 ILE 46 -7.670 3.543 -6.368 380 H LYS 47 H LYS 47 -4.813 8.137 -9.136 381 HA LYS 47 HA LYS 47 -1.919 8.080 -9.277 382 HB2 LYS 47 2HB LYS 47 -3.705 10.528 -8.946 383 HB3 LYS 47 1HB LYS 47 -2.060 10.473 -9.575 384 HG2 LYS 47 2HG LYS 47 -4.571 9.406 -10.908 385 HG3 LYS 47 1HG LYS 47 -3.625 10.806 -11.413 386 HD2 LYS 47 2HD LYS 47 -2.514 7.967 -11.379 387 HD3 LYS 47 1HD LYS 47 -3.313 8.670 -12.784 388 HE2 LYS 47 2HE LYS 47 -0.846 9.852 -11.461 389 HE3 LYS 47 1HE LYS 47 -0.812 8.786 -12.868 390 HZ1 LYS 47 3HZ LYS 47 -0.702 11.132 -13.468 391 HZ2 LYS 47 1HZ LYS 47 -2.208 11.405 -12.752 392 HZ3 LYS 47 2HZ LYS 47 -2.085 10.397 -14.106 393 H LEU 48 H LEU 48 -0.516 8.971 -7.729 394 HA LEU 48 HA LEU 48 -0.818 8.086 -5.121 395 HB2 LEU 48 2HB LEU 48 1.340 8.385 -6.246 396 HB3 LEU 48 1HB LEU 48 1.108 10.121 -6.288 397 HG LEU 48 HG LEU 48 1.346 10.253 -3.837 398 HD11 LEU 48 1HD1 LEU 48 1.755 7.255 -3.923 399 HD12 LEU 48 2HD1 LEU 48 0.394 8.108 -3.188 400 HD13 LEU 48 3HD1 LEU 48 2.011 8.289 -2.514 401 HD21 LEU 48 3HD2 LEU 48 3.369 10.456 -5.207 402 HD22 LEU 48 1HD2 LEU 48 3.613 8.707 -5.142 403 HD23 LEU 48 2HD2 LEU 48 3.732 9.675 -3.670 404 H ALA 49 H ALA 49 -1.052 11.436 -6.317 405 HA ALA 49 HA ALA 49 -1.567 12.704 -3.820 406 HB1 ALA 49 3HB ALA 49 -0.640 13.931 -5.746 407 HB2 ALA 49 1HB ALA 49 -2.116 14.693 -5.168 408 HB3 ALA 49 2HB ALA 49 -2.146 13.711 -6.636 409 H LYS 50 H LYS 50 -3.576 10.971 -6.043 410 HA LYS 50 HA LYS 50 -6.094 12.137 -5.152 411 HB2 LYS 50 2HB LYS 50 -5.486 9.916 -7.137 412 HB3 LYS 50 1HB LYS 50 -7.109 10.500 -6.769 413 HG2 LYS 50 2HG LYS 50 -4.860 12.123 -8.005 414 HG3 LYS 50 1HG LYS 50 -6.275 11.485 -8.848 415 HD2 LYS 50 2HD LYS 50 -7.735 12.928 -7.409 416 HD3 LYS 50 1HD LYS 50 -6.287 13.594 -6.648 417 HE2 LYS 50 2HE LYS 50 -5.565 14.511 -8.824 418 HE3 LYS 50 1HE LYS 50 -6.998 13.820 -9.593 419 HZ1 LYS 50 3HZ LYS 50 -8.385 15.222 -8.215 420 HZ2 LYS 50 1HZ LYS 50 -7.277 16.162 -9.085 421 HZ3 LYS 50 2HZ LYS 50 -7.025 15.864 -7.441 422 H LEU 51 H LEU 51 -4.053 9.721 -3.952 423 HA LEU 51 HA LEU 51 -5.960 7.862 -2.944 424 HB2 LEU 51 2HB LEU 51 -3.078 8.435 -2.402 425 HB3 LEU 51 1HB LEU 51 -3.945 7.700 -1.070 426 HG LEU 51 HG LEU 51 -4.618 5.813 -2.586 427 HD11 LEU 51 1HD1 LEU 51 -3.425 5.474 -4.702 428 HD12 LEU 51 2HD1 LEU 51 -2.686 7.072 -4.553 429 HD13 LEU 51 3HD1 LEU 51 -4.434 6.920 -4.751 430 HD21 LEU 51 3HD2 LEU 51 -1.625 6.237 -2.255 431 HD22 LEU 51 1HD2 LEU 51 -2.442 4.693 -2.510 432 HD23 LEU 51 2HD2 LEU 51 -2.729 5.600 -1.030 433 H THR 52 H THR 52 -7.681 9.142 -2.174 434 HA THR 52 HA THR 52 -7.327 10.653 0.298 435 HB THR 52 HB THR 52 -8.908 11.469 -1.451 436 HG1 THR 52 HG1 THR 52 -9.522 12.266 0.442 437 HG21 THR 52 3HG2 THR 52 -10.586 9.031 -0.752 438 HG22 THR 52 1HG2 THR 52 -9.757 9.308 -2.293 439 HG23 THR 52 2HG2 THR 52 -11.076 10.367 -1.795 440 H SER 53 H SER 53 -9.057 10.080 2.050 441 HA SER 53 HA SER 53 -8.159 7.607 3.160 442 HB2 SER 53 2HB SER 53 -8.550 9.688 4.492 443 HB3 SER 53 1HB SER 53 -10.283 9.525 4.219 444 HG SER 53 HG SER 53 -10.347 7.819 5.543 445 H LEU 54 H LEU 54 -11.079 8.593 1.520 446 HA LEU 54 HA LEU 54 -12.894 6.600 2.270 447 HB2 LEU 54 2HB LEU 54 -13.510 8.605 0.956 448 HB3 LEU 54 1HB LEU 54 -12.585 8.009 -0.408 449 HG LEU 54 HG LEU 54 -14.180 6.071 -0.605 450 HD11 LEU 54 1HD1 LEU 54 -14.993 5.951 1.689 451 HD12 LEU 54 2HD1 LEU 54 -16.335 6.139 0.566 452 HD13 LEU 54 3HD1 LEU 54 -15.788 7.520 1.518 453 HD21 LEU 54 3HD2 LEU 54 -15.453 8.825 -0.818 454 HD22 LEU 54 1HD2 LEU 54 -16.020 7.357 -1.618 455 HD23 LEU 54 2HD2 LEU 54 -14.452 8.034 -2.040 456 H HIS 55 H HIS 55 -10.327 6.560 -0.175 457 HA HIS 55 HA HIS 55 -10.826 4.118 -1.461 458 HB2 HIS 55 2HB HIS 55 -8.204 5.562 -0.917 459 HB3 HIS 55 1HB HIS 55 -8.283 4.076 -1.852 460 HD1 HIS 55 HD1 HIS 55 -7.915 7.457 -2.478 461 HD2 HIS 55 HD2 HIS 55 -10.504 4.599 -4.004 462 HE1 HIS 55 HE1 HIS 55 -8.598 8.300 -4.744 463 HE2 HIS 55 HE2 HIS 55 -10.256 6.615 -5.579 464 H MET 56 H MET 56 -8.999 4.824 1.484 465 HA MET 56 HA MET 56 -7.877 2.218 1.789 466 HB2 MET 56 2HB MET 56 -8.094 4.542 3.747 467 HB3 MET 56 1HB MET 56 -7.202 3.056 4.076 468 HG2 MET 56 2HG MET 56 -6.631 5.046 1.877 469 HG3 MET 56 1HG MET 56 -5.676 4.772 3.338 470 HE1 MET 56 3HE MET 56 -3.454 3.359 0.362 471 HE2 MET 56 1HE MET 56 -3.540 4.559 1.648 472 HE3 MET 56 2HE MET 56 -4.586 4.705 0.233 473 H GLN 57 H GLN 57 -10.711 3.833 3.192 474 HA GLN 57 HA GLN 57 -11.431 1.791 5.024 475 HB2 GLN 57 2HB GLN 57 -12.418 4.046 5.193 476 HB3 GLN 57 1HB GLN 57 -13.200 3.849 3.630 477 HG2 GLN 57 2HG GLN 57 -14.792 3.570 5.486 478 HG3 GLN 57 1HG GLN 57 -14.649 2.096 4.532 479 HE21 GLN 57 1HE2 GLN 57 -13.736 0.241 5.501 480 HE22 GLN 57 2HE2 GLN 57 -13.453 0.129 7.202 481 H ASN 58 H ASN 58 -12.559 2.503 1.711 482 HA ASN 58 HA ASN 58 -14.333 0.303 1.472 483 HB2 ASN 58 2HB ASN 58 -13.001 1.978 -0.698 484 HB3 ASN 58 1HB ASN 58 -14.291 0.812 -0.996 485 HD21 ASN 58 1HD2 ASN 58 -14.400 3.596 -1.587 486 HD22 ASN 58 2HD2 ASN 58 -15.663 4.291 -0.643 487 H TYR 59 H TYR 59 -10.910 0.660 0.930 488 HA TYR 59 HA TYR 59 -10.434 -1.709 -0.556 489 HB2 TYR 59 2HB TYR 59 -8.807 0.166 -0.449 490 HB3 TYR 59 1HB TYR 59 -8.550 -0.137 1.264 491 HD1 TYR 59 HD2 TYR 59 -8.158 -1.706 -2.122 492 HD2 TYR 59 HD1 TYR 59 -6.876 -1.698 1.957 493 HE1 TYR 59 HE2 TYR 59 -6.356 -3.282 -2.682 494 HE2 TYR 59 HE1 TYR 59 -5.086 -3.272 1.388 495 HH TYR 59 HH TYR 59 -4.549 -4.916 -0.296 496 H VAL 60 H VAL 60 -10.246 -0.946 2.936 497 HA VAL 60 HA VAL 60 -9.499 -3.542 3.829 498 HB VAL 60 HB VAL 60 -10.805 -1.235 5.341 499 HG11 VAL 60 1HG1 VAL 60 -10.115 -2.379 7.441 500 HG12 VAL 60 2HG1 VAL 60 -9.623 -3.788 6.501 501 HG13 VAL 60 3HG1 VAL 60 -11.321 -3.314 6.551 502 HG21 VAL 60 3HG2 VAL 60 -8.528 -0.865 6.244 503 HG22 VAL 60 1HG2 VAL 60 -8.544 -0.752 4.482 504 HG23 VAL 60 2HG2 VAL 60 -7.917 -2.202 5.267 505 H ASN 61 H ASN 61 -12.615 -2.039 3.233 506 HA ASN 61 HA ASN 61 -14.324 -3.997 4.359 507 HB2 ASN 61 2HB ASN 61 -14.818 -2.168 1.966 508 HB3 ASN 61 1HB ASN 61 -16.069 -3.064 2.830 509 HD21 ASN 61 1HD2 ASN 61 -15.816 -0.205 2.428 510 HD22 ASN 61 2HD2 ASN 61 -15.788 0.505 3.999 511 H SER 62 H SER 62 -12.841 -3.637 1.158 512 HA SER 62 HA SER 62 -14.000 -5.873 -0.117 513 HB2 SER 62 2HB SER 62 -11.312 -4.538 -0.663 514 HB3 SER 62 1HB SER 62 -12.143 -5.648 -1.757 515 HG SER 62 HG SER 62 -13.428 -3.320 -0.816 516 H LEU 63 H LEU 63 -11.032 -5.487 1.816 517 HA LEU 63 HA LEU 63 -9.809 -7.968 1.340 518 HB2 LEU 63 2HB LEU 63 -9.639 -6.303 3.878 519 HB3 LEU 63 1HB LEU 63 -8.496 -7.548 3.387 520 HG LEU 63 HG LEU 63 -8.970 -4.912 1.960 521 HD11 LEU 63 1HD1 LEU 63 -7.851 -4.565 4.085 522 HD12 LEU 63 2HD1 LEU 63 -6.735 -4.276 2.752 523 HD13 LEU 63 3HD1 LEU 63 -6.630 -5.777 3.674 524 HD21 LEU 63 3HD2 LEU 63 -7.035 -5.496 0.551 525 HD22 LEU 63 1HD2 LEU 63 -8.360 -6.637 0.345 526 HD23 LEU 63 2HD2 LEU 63 -6.955 -7.087 1.312 527 H ARG 64 H ARG 64 -12.244 -7.048 3.722 528 HA ARG 64 HA ARG 64 -12.155 -9.492 5.214 529 HB2 ARG 64 2HB ARG 64 -13.003 -7.299 6.122 530 HB3 ARG 64 1HB ARG 64 -14.423 -7.462 5.089 531 HG2 ARG 64 2HG ARG 64 -15.039 -9.555 6.274 532 HG3 ARG 64 1HG ARG 64 -13.615 -9.387 7.302 533 HD2 ARG 64 2HD ARG 64 -14.533 -7.234 8.165 534 HD3 ARG 64 1HD ARG 64 -15.976 -7.487 7.179 535 HE ARG 64 HE ARG 64 -16.580 -9.331 8.538 536 HH11 ARG 64 1HH1 ARG 64 -13.767 -7.637 9.821 537 HH12 ARG 64 2HH1 ARG 64 -13.961 -8.294 11.414 538 HH21 ARG 64 1HH2 ARG 64 -16.816 -10.162 10.630 539 HH22 ARG 64 2HH2 ARG 64 -15.683 -9.723 11.867 540 H ASP 65 H ASP 65 -14.201 -8.224 2.606 541 HA ASP 65 HA ASP 65 -15.868 -10.543 2.320 542 HB2 ASP 65 2HB ASP 65 -15.374 -8.098 0.579 543 HB3 ASP 65 1HB ASP 65 -16.461 -9.387 0.076 544 H GLU 66 H GLU 66 -12.689 -9.768 1.211 545 HA GLU 66 HA GLU 66 -12.472 -11.731 -0.896 546 HB2 GLU 66 2HB GLU 66 -10.362 -10.228 0.720 547 HB3 GLU 66 1HB GLU 66 -9.942 -11.386 -0.533 548 HG2 GLU 66 2HG GLU 66 -11.543 -8.850 -0.982 549 HG3 GLU 66 1HG GLU 66 -9.815 -9.013 -1.269 550 H GLY 67 H GLY 67 -12.572 -11.823 2.512 551 HA2 GLY 67 2HA GLY 67 -12.591 -13.596 3.964 552 HA3 GLY 67 1HA GLY 67 -12.203 -14.679 2.636 553 H LEU 68 H LEU 68 -10.102 -11.987 3.000 554 HA LEU 68 HA LEU 68 -7.810 -13.583 3.510 555 HB2 LEU 68 2HB LEU 68 -8.166 -10.567 3.714 556 HB3 LEU 68 1HB LEU 68 -6.615 -11.393 3.763 557 HG LEU 68 HG LEU 68 -8.508 -11.343 1.375 558 HD11 LEU 68 1HD1 LEU 68 -5.867 -9.903 1.782 559 HD12 LEU 68 2HD1 LEU 68 -7.469 -9.163 1.745 560 HD13 LEU 68 3HD1 LEU 68 -6.820 -9.920 0.293 561 HD21 LEU 68 3HD2 LEU 68 -7.253 -13.449 1.435 562 HD22 LEU 68 1HD2 LEU 68 -5.732 -12.568 1.608 563 HD23 LEU 68 2HD2 LEU 68 -6.676 -12.429 0.121 564 H LYS 69 H LYS 69 -6.629 -13.908 5.350 565 HA LYS 69 HA LYS 69 -7.984 -13.770 7.886 566 HB2 LYS 69 2HB LYS 69 -5.990 -14.933 8.771 567 HB3 LYS 69 1HB LYS 69 -6.595 -15.711 7.311 568 HG2 LYS 69 2HG LYS 69 -4.806 -14.454 6.019 569 HG3 LYS 69 1HG LYS 69 -4.144 -13.939 7.572 570 HD2 LYS 69 2HD LYS 69 -2.916 -15.875 6.719 571 HD3 LYS 69 1HD LYS 69 -3.779 -16.305 8.198 572 HE2 LYS 69 2HE LYS 69 -5.536 -17.405 6.861 573 HE3 LYS 69 1HE LYS 69 -4.719 -16.929 5.371 574 HZ1 LYS 69 3HZ LYS 69 -4.227 -19.205 5.931 575 HZ2 LYS 69 1HZ LYS 69 -3.641 -18.747 7.451 576 HZ3 LYS 69 2HZ LYS 69 -2.822 -18.272 6.053 577 H ARG 70 H ARG 70 -6.952 -12.849 9.850 578 HA ARG 70 HA ARG 70 -6.557 -10.093 9.632 579 HB2 ARG 70 2HB ARG 70 -6.042 -10.052 11.993 580 HB3 ARG 70 1HB ARG 70 -7.295 -11.259 11.724 581 HG2 ARG 70 2HG ARG 70 -5.715 -13.067 11.980 582 HG3 ARG 70 1HG ARG 70 -4.353 -11.947 12.006 583 HD2 ARG 70 2HD ARG 70 -5.238 -10.990 14.139 584 HD3 ARG 70 1HD ARG 70 -6.511 -12.221 14.120 585 HE ARG 70 HE ARG 70 -3.973 -13.450 13.885 586 HH11 ARG 70 1HH1 ARG 70 -5.971 -11.881 16.333 587 HH12 ARG 70 2HH1 ARG 70 -5.220 -12.736 17.643 588 HH21 ARG 70 1HH2 ARG 70 -3.027 -14.552 15.617 589 HH22 ARG 70 2HH2 ARG 70 -3.554 -14.228 17.240 590 H GLY 71 H GLY 71 -4.183 -12.692 9.748 591 HA2 GLY 71 2HA GLY 71 -1.806 -11.241 10.000 592 HA3 GLY 71 1HA GLY 71 -1.969 -12.813 9.228 593 H THR 72 H THR 72 -3.439 -12.363 7.032 594 HA THR 72 HA THR 72 -1.672 -11.275 5.146 595 HB THR 72 HB THR 72 -4.675 -11.733 4.791 596 HG1 THR 72 HG1 THR 72 -3.890 -13.772 3.913 597 HG21 THR 72 3HG2 THR 72 -3.716 -10.368 2.947 598 HG22 THR 72 1HG2 THR 72 -4.132 -11.992 2.378 599 HG23 THR 72 2HG2 THR 72 -2.451 -11.570 2.698 600 H ILE 73 H ILE 73 -4.701 -9.963 6.491 601 HA ILE 73 HA ILE 73 -4.782 -7.572 5.004 602 HB ILE 73 HB ILE 73 -6.025 -8.153 7.730 603 HG12 ILE 73 2HG1 ILE 73 -7.247 -8.343 4.934 604 HG13 ILE 73 1HG1 ILE 73 -6.759 -9.712 5.924 605 HG21 ILE 73 1HG2 ILE 73 -7.595 -6.289 7.252 606 HG22 ILE 73 2HG2 ILE 73 -6.698 -5.909 5.783 607 HG23 ILE 73 3HG2 ILE 73 -5.928 -5.719 7.359 608 HD11 ILE 73 3HD1 ILE 73 -8.983 -7.767 6.544 609 HD12 ILE 73 1HD1 ILE 73 -8.485 -9.112 7.576 610 HD13 ILE 73 2HD1 ILE 73 -9.156 -9.426 5.975 611 H GLU 74 H GLU 74 -3.419 -8.286 8.231 612 HA GLU 74 HA GLU 74 -2.665 -5.644 8.888 613 HB2 GLU 74 2HB GLU 74 -2.843 -7.387 10.606 614 HB3 GLU 74 1HB GLU 74 -1.527 -8.288 9.862 615 HG2 GLU 74 2HG GLU 74 0.076 -6.560 10.463 616 HG3 GLU 74 1HG GLU 74 -1.216 -5.514 11.048 617 H LYS 75 H LYS 75 -0.878 -8.289 7.306 618 HA LYS 75 HA LYS 75 1.647 -6.985 7.270 619 HB2 LYS 75 2HB LYS 75 0.590 -9.344 5.682 620 HB3 LYS 75 1HB LYS 75 2.233 -8.743 5.491 621 HG2 LYS 75 2HG LYS 75 2.687 -9.200 7.881 622 HG3 LYS 75 1HG LYS 75 1.043 -9.824 8.071 623 HD2 LYS 75 2HD LYS 75 3.165 -10.986 6.206 624 HD3 LYS 75 1HD LYS 75 2.736 -11.644 7.787 625 HE2 LYS 75 2HE LYS 75 0.474 -12.145 7.006 626 HE3 LYS 75 1HE LYS 75 0.808 -11.378 5.451 627 HZ1 LYS 75 3HZ LYS 75 0.961 -13.774 5.326 628 HZ2 LYS 75 1HZ LYS 75 2.180 -13.793 6.498 629 HZ3 LYS 75 2HZ LYS 75 2.457 -13.061 4.999 630 H ILE 76 H ILE 76 -1.027 -7.131 4.917 631 HA ILE 76 HA ILE 76 0.459 -5.758 2.869 632 HB ILE 76 HB ILE 76 -1.565 -5.554 1.565 633 HG12 ILE 76 2HG1 ILE 76 -3.129 -6.483 4.019 634 HG13 ILE 76 1HG1 ILE 76 -3.205 -4.886 3.279 635 HG21 ILE 76 1HG2 ILE 76 -0.492 -7.774 1.604 636 HG22 ILE 76 2HG2 ILE 76 -2.219 -7.903 1.315 637 HG23 ILE 76 3HG2 ILE 76 -1.562 -8.282 2.907 638 HD11 ILE 76 3HD1 ILE 76 -4.097 -7.470 1.995 639 HD12 ILE 76 1HD1 ILE 76 -4.199 -5.862 1.269 640 HD13 ILE 76 2HD1 ILE 76 -5.128 -6.243 2.714 641 H ILE 77 H ILE 77 -1.704 -4.783 5.517 642 HA ILE 77 HA ILE 77 -1.893 -2.024 4.927 643 HB ILE 77 HB ILE 77 -2.023 -3.524 7.572 644 HG12 ILE 77 2HG1 ILE 77 -3.979 -3.893 6.176 645 HG13 ILE 77 1HG1 ILE 77 -4.464 -2.851 7.507 646 HG21 ILE 77 1HG2 ILE 77 -2.432 -0.529 7.287 647 HG22 ILE 77 2HG2 ILE 77 -1.149 -1.340 8.188 648 HG23 ILE 77 3HG2 ILE 77 -2.823 -1.480 8.723 649 HD11 ILE 77 3HD1 ILE 77 -5.470 -2.131 5.458 650 HD12 ILE 77 1HD1 ILE 77 -3.900 -2.001 4.669 651 HD13 ILE 77 2HD1 ILE 77 -4.318 -0.912 5.996 652 H LYS 78 H LYS 78 0.601 -3.908 6.649 653 HA LYS 78 HA LYS 78 2.275 -1.814 7.509 654 HB2 LYS 78 2HB LYS 78 3.086 -4.606 6.583 655 HB3 LYS 78 1HB LYS 78 4.143 -3.496 7.450 656 HG2 LYS 78 2HG LYS 78 1.610 -4.780 8.516 657 HG3 LYS 78 1HG LYS 78 3.270 -5.216 8.934 658 HD2 LYS 78 2HD LYS 78 3.567 -2.907 9.900 659 HD3 LYS 78 1HD LYS 78 1.860 -2.594 9.573 660 HE2 LYS 78 2HE LYS 78 1.212 -4.428 11.083 661 HE3 LYS 78 1HE LYS 78 2.913 -4.798 11.381 662 HZ1 LYS 78 3HZ LYS 78 1.584 -2.231 12.035 663 HZ2 LYS 78 1HZ LYS 78 3.192 -2.638 12.373 664 HZ3 LYS 78 2HZ LYS 78 1.929 -3.461 13.143 665 H VAL 79 H VAL 79 2.117 -3.534 4.419 666 HA VAL 79 HA VAL 79 4.398 -2.339 3.207 667 HB VAL 79 HB VAL 79 2.019 -3.666 1.821 668 HG11 VAL 79 1HG1 VAL 79 3.607 -4.119 -0.023 669 HG12 VAL 79 2HG1 VAL 79 4.870 -3.236 0.839 670 HG13 VAL 79 3HG1 VAL 79 3.435 -2.385 0.266 671 HG21 VAL 79 3HG2 VAL 79 4.607 -4.944 2.799 672 HG22 VAL 79 1HG2 VAL 79 3.346 -5.761 1.863 673 HG23 VAL 79 2HG2 VAL 79 3.008 -5.182 3.491 674 H ILE 80 H ILE 80 0.888 -1.665 2.951 675 HA ILE 80 HA ILE 80 0.976 0.404 1.018 676 HB ILE 80 HB ILE 80 -1.105 -0.022 3.221 677 HG12 ILE 80 2HG1 ILE 80 -1.257 -0.981 0.329 678 HG13 ILE 80 1HG1 ILE 80 -0.725 -1.997 1.661 679 HG21 ILE 80 1HG2 ILE 80 -2.677 1.225 1.757 680 HG22 ILE 80 2HG2 ILE 80 -1.367 1.551 0.622 681 HG23 ILE 80 3HG2 ILE 80 -1.313 2.235 2.248 682 HD11 ILE 80 3HD1 ILE 80 -3.044 -2.406 1.083 683 HD12 ILE 80 1HD1 ILE 80 -3.446 -0.723 1.412 684 HD13 ILE 80 2HD1 ILE 80 -2.911 -1.777 2.725 685 H ARG 81 H ARG 81 0.814 0.515 4.580 686 HA ARG 81 HA ARG 81 0.906 3.264 4.987 687 HB2 ARG 81 2HB ARG 81 2.026 1.033 6.712 688 HB3 ARG 81 1HB ARG 81 2.158 2.717 7.195 689 HG2 ARG 81 2HG ARG 81 -0.426 2.773 6.943 690 HG3 ARG 81 1HG ARG 81 -0.323 1.009 6.956 691 HD2 ARG 81 2HD ARG 81 -0.769 1.880 9.218 692 HD3 ARG 81 1HD ARG 81 0.829 1.115 9.169 693 HE ARG 81 HE ARG 81 1.020 3.902 8.599 694 HH11 ARG 81 1HH1 ARG 81 0.638 1.744 11.353 695 HH12 ARG 81 2HH1 ARG 81 1.269 2.903 12.479 696 HH21 ARG 81 1HH2 ARG 81 1.871 5.375 10.088 697 HH22 ARG 81 2HH2 ARG 81 1.959 4.944 11.766 698 H ASN 82 H ASN 82 3.605 0.959 4.769 699 HA ASN 82 HA ASN 82 5.649 2.803 5.397 700 HB2 ASN 82 2HB ASN 82 5.673 0.208 5.509 701 HB3 ASN 82 1HB ASN 82 6.086 0.253 3.804 702 HD21 ASN 82 1HD2 ASN 82 7.594 -0.755 6.117 703 HD22 ASN 82 2HD2 ASN 82 9.106 0.074 6.099 704 H SER 83 H SER 83 4.227 1.812 2.343 705 HA SER 83 HA SER 83 5.961 3.069 0.519 706 HB2 SER 83 2HB SER 83 2.957 2.604 0.293 707 HB3 SER 83 1HB SER 83 4.033 2.974 -1.054 708 HG SER 83 HG SER 83 3.533 0.612 0.145 709 H LEU 84 H LEU 84 3.061 4.274 2.193 710 HA LEU 84 HA LEU 84 3.210 6.880 0.949 711 HB2 LEU 84 2HB LEU 84 1.349 5.703 3.015 712 HB3 LEU 84 1HB LEU 84 1.196 7.347 2.412 713 HG LEU 84 HG LEU 84 0.947 4.818 0.725 714 HD11 LEU 84 1HD1 LEU 84 -0.976 5.115 2.208 715 HD12 LEU 84 2HD1 LEU 84 -1.430 5.386 0.528 716 HD13 LEU 84 3HD1 LEU 84 -1.209 6.758 1.618 717 HD21 LEU 84 3HD2 LEU 84 1.898 6.643 -0.592 718 HD22 LEU 84 1HD2 LEU 84 0.603 7.729 -0.083 719 HD23 LEU 84 2HD2 LEU 84 0.241 6.323 -1.090 720 H GLU 85 H GLU 85 4.280 5.514 3.985 721 HA GLU 85 HA GLU 85 4.766 7.927 5.430 722 HB2 GLU 85 2HB GLU 85 6.189 5.225 5.622 723 HB3 GLU 85 1HB GLU 85 6.366 6.535 6.780 724 HG2 GLU 85 2HG GLU 85 3.772 5.056 6.248 725 HG3 GLU 85 1HG GLU 85 4.894 4.668 7.545 726 H HIS 86 H HIS 86 6.584 5.924 3.201 727 HA HIS 86 HA HIS 86 9.001 7.339 2.972 728 HB2 HIS 86 2HB HIS 86 8.755 5.077 2.139 729 HB3 HIS 86 1HB HIS 86 7.469 5.558 1.048 730 HD1 HIS 86 HD1 HIS 86 8.252 5.546 -1.279 731 HD2 HIS 86 HD2 HIS 86 11.242 6.690 1.308 732 HE1 HIS 86 HE1 HIS 86 10.283 5.812 -2.707 733 HE2 HIS 86 HE2 HIS 86 12.099 6.552 -1.116 734 H ALA 87 H ALA 87 5.841 7.774 1.472 735 HA ALA 87 HA ALA 87 6.670 9.672 -0.505 736 HB1 ALA 87 3HB ALA 87 3.868 9.054 0.510 737 HB2 ALA 87 1HB ALA 87 4.674 8.260 -0.844 738 HB3 ALA 87 2HB ALA 87 4.256 9.971 -0.948 739 H ILE 88 H ILE 88 5.452 9.897 2.813 740 HA ILE 88 HA ILE 88 4.995 12.697 2.922 741 HB ILE 88 HB ILE 88 5.825 10.771 5.137 742 HG12 ILE 88 2HG1 ILE 88 3.081 11.920 4.423 743 HG13 ILE 88 1HG1 ILE 88 3.614 10.269 4.115 744 HG21 ILE 88 1HG2 ILE 88 4.830 13.634 5.451 745 HG22 ILE 88 2HG2 ILE 88 6.450 13.043 5.822 746 HG23 ILE 88 3HG2 ILE 88 5.077 12.487 6.775 747 HD11 ILE 88 3HD1 ILE 88 3.733 9.839 6.492 748 HD12 ILE 88 1HD1 ILE 88 2.140 10.441 6.044 749 HD13 ILE 88 2HD1 ILE 88 3.285 11.512 6.846 750 H ASP 89 H ASP 89 7.889 10.722 3.537 751 HA ASP 89 HA ASP 89 9.634 12.766 4.399 752 HB2 ASP 89 2HB ASP 89 10.135 10.389 4.754 753 HB3 ASP 89 1HB ASP 89 10.252 10.122 3.017 754 H LEU 90 H LEU 90 8.920 11.472 1.183 755 HA LEU 90 HA LEU 90 10.788 13.254 -0.171 756 HB2 LEU 90 2HB LEU 90 8.769 11.283 -1.296 757 HB3 LEU 90 1HB LEU 90 10.004 12.119 -2.227 758 HG LEU 90 HG LEU 90 10.481 10.008 -0.082 759 HD11 LEU 90 1HD1 LEU 90 9.651 9.075 -2.181 760 HD12 LEU 90 2HD1 LEU 90 11.328 8.618 -1.909 761 HD13 LEU 90 3HD1 LEU 90 10.941 9.881 -3.082 762 HD21 LEU 90 3HD2 LEU 90 12.544 11.538 -1.712 763 HD22 LEU 90 1HD2 LEU 90 12.881 10.173 -0.646 764 HD23 LEU 90 2HD2 LEU 90 12.269 11.679 0.027 765 H GLU 91 H GLU 91 7.852 13.765 1.165 766 HA GLU 91 HA GLU 91 6.324 15.419 1.132 767 HB2 GLU 91 2HB GLU 91 8.210 16.788 -0.829 768 HB3 GLU 91 1HB GLU 91 6.897 17.578 0.044 769 HG2 GLU 91 2HG GLU 91 8.025 17.064 2.188 770 HG3 GLU 91 1HG GLU 91 9.355 16.309 1.303 771 H LEU 92 H LEU 92 6.280 13.251 -0.937 772 HA LEU 92 HA LEU 92 4.937 14.187 -3.278 773 HB2 LEU 92 2HB LEU 92 4.936 11.410 -2.030 774 HB3 LEU 92 1HB LEU 92 4.485 11.797 -3.688 775 HG LEU 92 HG LEU 92 7.270 12.103 -2.501 776 HD11 LEU 92 1HD1 LEU 92 6.668 9.755 -2.792 777 HD12 LEU 92 2HD1 LEU 92 7.917 10.234 -3.938 778 HD13 LEU 92 3HD1 LEU 92 6.244 10.049 -4.480 779 HD21 LEU 92 3HD2 LEU 92 8.012 12.593 -4.792 780 HD22 LEU 92 1HD2 LEU 92 6.865 13.802 -4.214 781 HD23 LEU 92 2HD2 LEU 92 6.340 12.561 -5.356 782 H ILE 93 H ILE 93 3.924 13.242 -0.069 783 HA ILE 93 HA ILE 93 1.201 14.225 -0.625 784 HB ILE 93 HB ILE 93 0.167 12.523 0.897 785 HG12 ILE 93 2HG1 ILE 93 2.843 11.060 0.739 786 HG13 ILE 93 1HG1 ILE 93 2.246 11.904 2.158 787 HG21 ILE 93 1HG2 ILE 93 0.006 12.172 -1.532 788 HG22 ILE 93 2HG2 ILE 93 0.106 10.631 -0.686 789 HG23 ILE 93 3HG2 ILE 93 1.523 11.268 -1.523 790 HD11 ILE 93 3HD1 ILE 93 1.938 9.525 2.364 791 HD12 ILE 93 1HD1 ILE 93 0.993 9.483 0.878 792 HD13 ILE 93 2HD1 ILE 93 0.373 10.331 2.298 793 H THR 94 H THR 94 0.190 15.189 1.201 794 HA THR 94 HA THR 94 2.005 16.313 3.188 795 HB THR 94 HB THR 94 -0.080 17.649 3.848 796 HG1 THR 94 HG1 THR 94 -1.751 17.539 2.115 797 HG21 THR 94 3HG2 THR 94 -0.047 19.095 1.855 798 HG22 THR 94 1HG2 THR 94 0.759 17.818 0.926 799 HG23 THR 94 2HG2 THR 94 1.588 18.592 2.275 800 H LYS 95 H LYS 95 -0.656 14.014 3.016 801 HA LYS 95 HA LYS 95 -0.310 13.287 5.842 802 HB2 LYS 95 2HB LYS 95 -2.159 14.946 5.769 803 HB3 LYS 95 1HB LYS 95 -2.996 13.983 4.555 804 HG2 LYS 95 2HG LYS 95 -3.384 12.195 6.153 805 HG3 LYS 95 1HG LYS 95 -2.402 13.013 7.377 806 HD2 LYS 95 2HD LYS 95 -5.008 14.086 6.196 807 HD3 LYS 95 1HD LYS 95 -4.859 13.294 7.766 808 HE2 LYS 95 2HE LYS 95 -3.373 15.099 8.542 809 HE3 LYS 95 1HE LYS 95 -3.490 15.895 6.972 810 HZ1 LYS 95 3HZ LYS 95 -5.725 15.430 8.865 811 HZ2 LYS 95 1HZ LYS 95 -5.869 16.168 7.353 812 HZ3 LYS 95 2HZ LYS 95 -4.959 16.906 8.571 813 H ASN 96 H ASN 96 -0.137 11.157 5.994 814 HA ASN 96 HA ASN 96 -0.710 9.383 3.790 815 HB2 ASN 96 2HB ASN 96 1.301 8.973 5.125 816 HB3 ASN 96 1HB ASN 96 0.352 8.852 6.599 817 HD21 ASN 96 1HD2 ASN 96 1.471 6.787 6.827 818 HD22 ASN 96 2HD2 ASN 96 0.871 5.396 6.002 819 H VAL 97 H VAL 97 -2.733 8.837 3.412 820 HA VAL 97 HA VAL 97 -4.862 8.814 5.333 821 HB VAL 97 HB VAL 97 -6.258 7.945 3.465 822 HG11 VAL 97 1HG1 VAL 97 -6.022 9.899 1.960 823 HG12 VAL 97 2HG1 VAL 97 -4.446 10.255 2.670 824 HG13 VAL 97 3HG1 VAL 97 -5.906 10.359 3.657 825 HG21 VAL 97 3HG2 VAL 97 -4.585 6.465 2.370 826 HG22 VAL 97 1HG2 VAL 97 -3.686 7.882 1.820 827 HG23 VAL 97 2HG2 VAL 97 -5.314 7.576 1.212 828 H ALA 98 H ALA 98 -2.462 6.542 4.530 829 HA ALA 98 HA ALA 98 -3.991 4.160 5.287 830 HB1 ALA 98 3HB ALA 98 -1.993 2.893 4.640 831 HB2 ALA 98 1HB ALA 98 -1.103 4.400 4.373 832 HB3 ALA 98 2HB ALA 98 -2.475 3.988 3.344 833 H ALA 99 H ALA 99 -2.003 6.552 6.748 834 HA ALA 99 HA ALA 99 -0.623 5.069 8.727 835 HB1 ALA 99 3HB ALA 99 -1.570 7.951 8.874 836 HB2 ALA 99 1HB ALA 99 -0.034 7.399 8.202 837 HB3 ALA 99 2HB ALA 99 -0.365 7.203 9.925 838 H LYS 100 H LYS 100 -3.821 6.608 8.716 839 HA LYS 100 HA LYS 100 -4.556 5.690 11.365 840 HB2 LYS 100 2HB LYS 100 -6.211 6.948 9.143 841 HB3 LYS 100 1HB LYS 100 -6.802 6.632 10.772 842 HG2 LYS 100 2HG LYS 100 -4.534 8.513 10.047 843 HG3 LYS 100 1HG LYS 100 -6.192 8.998 10.421 844 HD2 LYS 100 2HD LYS 100 -5.898 7.992 12.719 845 HD3 LYS 100 1HD LYS 100 -4.206 7.673 12.323 846 HE2 LYS 100 2HE LYS 100 -4.448 9.734 13.651 847 HE3 LYS 100 1HE LYS 100 -3.812 10.093 12.044 848 HZ1 LYS 100 3HZ LYS 100 -6.013 10.795 11.357 849 HZ2 LYS 100 1HZ LYS 100 -5.530 11.657 12.728 850 HZ3 LYS 100 2HZ LYS 100 -6.654 10.407 12.874 851 H THR 101 H THR 101 -4.511 4.309 8.260 852 HA THR 101 HA THR 101 -6.795 2.543 8.526 853 HB THR 101 HB THR 101 -4.523 2.450 6.480 854 HG1 THR 101 HG1 THR 101 -5.756 4.411 6.474 855 HG21 THR 101 3HG2 THR 101 -5.806 0.324 6.612 856 HG22 THR 101 1HG2 THR 101 -6.091 1.174 5.085 857 HG23 THR 101 2HG2 THR 101 -7.300 1.226 6.368 858 H LYS 102 H LYS 102 -6.620 1.151 10.133 859 HA LYS 102 HA LYS 102 -4.115 -0.311 10.689 860 HB2 LYS 102 2HB LYS 102 -6.548 0.160 12.471 861 HB3 LYS 102 1HB LYS 102 -5.081 -0.690 12.953 862 HG2 LYS 102 2HG LYS 102 -5.290 2.256 12.223 863 HG3 LYS 102 1HG LYS 102 -5.152 1.596 13.857 864 HD2 LYS 102 2HD LYS 102 -3.051 1.395 11.651 865 HD3 LYS 102 1HD LYS 102 -2.991 2.478 13.043 866 HE2 LYS 102 2HE LYS 102 -2.862 -0.563 13.115 867 HE3 LYS 102 1HE LYS 102 -1.536 0.557 13.431 868 HZ1 LYS 102 3HZ LYS 102 -4.007 0.294 15.062 869 HZ2 LYS 102 1HZ LYS 102 -2.736 1.362 15.374 870 HZ3 LYS 102 2HZ LYS 102 -2.484 -0.307 15.481 871 H LEU 103 H LEU 103 -4.437 -2.564 11.532 872 HA LEU 103 HA LEU 103 -6.069 -4.250 9.963 873 HB2 LEU 103 2HB LEU 103 -4.092 -5.137 11.111 874 HB3 LEU 103 1HB LEU 103 -4.761 -4.700 12.675 875 HG LEU 103 HG LEU 103 -6.583 -6.399 12.340 876 HD11 LEU 103 1HD1 LEU 103 -5.027 -7.227 9.878 877 HD12 LEU 103 2HD1 LEU 103 -6.633 -6.492 9.909 878 HD13 LEU 103 3HD1 LEU 103 -6.387 -8.094 10.594 879 HD21 LEU 103 3HD2 LEU 103 -4.610 -6.981 13.666 880 HD22 LEU 103 1HD2 LEU 103 -3.769 -7.541 12.216 881 HD23 LEU 103 2HD2 LEU 103 -5.211 -8.386 12.791 882 HA PRO 104 HA PRO 104 -10.061 -3.405 12.129 883 HB2 PRO 104 2HB PRO 104 -11.450 -5.451 10.858 884 HB3 PRO 104 1HB PRO 104 -11.209 -3.843 10.163 885 HG2 PRO 104 2HG PRO 104 -9.626 -6.372 9.685 886 HG3 PRO 104 1HG PRO 104 -10.251 -5.201 8.498 887 HD2 PRO 104 2HD PRO 104 -7.691 -5.126 9.239 888 HD3 PRO 104 1HD PRO 104 -8.590 -3.607 9.014 889 H LYS 105 H LYS 105 -10.546 -4.158 14.129 890 HA LYS 105 HA LYS 105 -9.319 -6.409 15.305 891 HB2 LYS 105 2HB LYS 105 -11.733 -4.801 16.249 892 HB3 LYS 105 1HB LYS 105 -10.929 -6.033 17.218 893 HG2 LYS 105 2HG LYS 105 -8.836 -4.691 17.174 894 HG3 LYS 105 1HG LYS 105 -9.669 -3.438 16.243 895 HD2 LYS 105 2HD LYS 105 -11.233 -3.056 18.105 896 HD3 LYS 105 1HD LYS 105 -10.502 -4.373 19.026 897 HE2 LYS 105 2HE LYS 105 -9.700 -2.240 19.870 898 HE3 LYS 105 1HE LYS 105 -8.369 -3.096 19.089 899 HZ1 LYS 105 3HZ LYS 105 -8.397 -0.766 18.485 900 HZ2 LYS 105 1HZ LYS 105 -9.971 -0.907 17.888 901 HZ3 LYS 105 2HZ LYS 105 -8.701 -1.716 17.122 902 H ALA 106 H ALA 106 -9.722 -8.401 14.726 903 HA ALA 106 HA ALA 106 -12.242 -9.423 13.750 904 HB1 ALA 106 3HB ALA 106 -11.044 -11.598 13.714 905 HB2 ALA 106 1HB ALA 106 -9.680 -10.860 14.559 906 HB3 ALA 106 2HB ALA 106 -10.096 -10.336 12.927 907 H ASP 107 H ASP 107 -12.479 -11.886 15.117 908 HA ASP 107 HA ASP 107 -13.678 -11.140 17.633 909 HB2 ASP 107 2HB ASP 107 -13.179 -13.891 16.407 910 HB3 ASP 107 1HB ASP 107 -14.008 -13.649 17.942 911 H LYS 108 H LYS 108 -12.011 -10.200 18.805 912 HA LYS 108 HA LYS 108 -9.630 -11.738 19.487 913 HB2 LYS 108 2HB LYS 108 -10.498 -8.914 20.205 914 HB3 LYS 108 1HB LYS 108 -9.061 -9.664 20.882 915 HG2 LYS 108 2HG LYS 108 -9.568 -9.038 17.958 916 HG3 LYS 108 1HG LYS 108 -8.433 -8.222 19.037 917 HD2 LYS 108 2HD LYS 108 -8.260 -11.095 18.028 918 HD3 LYS 108 1HD LYS 108 -7.220 -9.752 17.562 919 HE2 LYS 108 2HE LYS 108 -7.354 -11.003 20.334 920 HE3 LYS 108 1HE LYS 108 -6.087 -11.277 19.139 921 HZ1 LYS 108 3HZ LYS 108 -5.548 -8.909 19.262 922 HZ2 LYS 108 1HZ LYS 108 -5.379 -9.674 20.759 923 HZ3 LYS 108 2HZ LYS 108 -6.720 -8.696 20.464 924 H GLU 109 H GLU 109 -11.429 -13.259 20.272 925 HA GLU 109 HA GLU 109 -11.902 -12.980 23.141 926 HB2 GLU 109 2HB GLU 109 -12.983 -15.277 22.868 927 HB3 GLU 109 1HB GLU 109 -13.774 -13.949 22.028 928 HG2 GLU 109 2HG GLU 109 -12.614 -14.685 19.915 929 HG3 GLU 109 1HG GLU 109 -12.027 -16.099 20.789 930 H GLU 110 H GLU 110 -9.794 -12.839 23.796 931 HA GLU 110 HA GLU 110 -7.927 -15.047 23.283 932 HB2 GLU 110 2HB GLU 110 -6.296 -13.561 24.549 933 HB3 GLU 110 1HB GLU 110 -6.909 -12.910 23.045 934 HG2 GLU 110 2HG GLU 110 -6.884 -11.075 24.487 935 HG3 GLU 110 1HG GLU 110 -8.573 -11.570 24.462 936 H LEU 111 H LEU 111 -10.348 -15.442 24.822 937 HA LEU 111 HA LEU 111 -9.709 -15.740 27.611 938 HB2 LEU 111 2HB LEU 111 -12.097 -16.791 26.045 939 HB3 LEU 111 1HB LEU 111 -11.974 -16.683 27.796 940 HG LEU 111 HG LEU 111 -12.104 -14.336 25.854 941 HD11 LEU 111 1HD1 LEU 111 -14.254 -15.454 26.142 942 HD12 LEU 111 2HD1 LEU 111 -14.274 -13.863 26.898 943 HD13 LEU 111 3HD1 LEU 111 -14.122 -15.309 27.899 944 HD21 LEU 111 3HD2 LEU 111 -12.150 -12.877 27.847 945 HD22 LEU 111 1HD2 LEU 111 -10.631 -13.758 27.723 946 HD23 LEU 111 2HD2 LEU 111 -11.855 -14.273 28.887 947 H GLU 112 H GLU 112 -8.348 -17.345 25.302 948 HA GLU 112 HA GLU 112 -8.408 -19.990 26.609 949 HB2 GLU 112 2HB GLU 112 -9.005 -19.899 24.092 950 HB3 GLU 112 1HB GLU 112 -7.350 -19.384 23.794 951 HG2 GLU 112 2HG GLU 112 -8.149 -22.015 25.093 952 HG3 GLU 112 1HG GLU 112 -7.797 -21.817 23.380 953 H HIS 113 H HIS 113 -6.937 -19.652 28.164 954 HA HIS 113 HA HIS 113 -4.167 -19.128 27.369 955 HB2 HIS 113 2HB HIS 113 -3.821 -17.772 29.492 956 HB3 HIS 113 1HB HIS 113 -4.765 -16.968 28.249 957 HD1 HIS 113 HD1 HIS 113 -7.328 -16.672 28.713 958 HD2 HIS 113 HD2 HIS 113 -5.140 -18.124 31.933 959 HE1 HIS 113 HE1 HIS 113 -8.838 -16.456 30.704 960 HE2 HIS 113 HE2 HIS 113 -7.550 -17.474 32.608 961 H HIS 114 H HIS 114 -3.592 -21.180 27.540 962 HA HIS 114 HA HIS 114 -4.304 -22.920 29.748 963 HB2 HIS 114 2HB HIS 114 -2.737 -24.550 28.507 964 HB3 HIS 114 1HB HIS 114 -4.157 -24.003 27.625 965 HD1 HIS 114 HD1 HIS 114 -3.769 -22.868 25.404 966 HD2 HIS 114 HD2 HIS 114 -0.257 -23.305 27.574 967 HE1 HIS 114 HE1 HIS 114 -1.937 -22.193 23.838 968 HE2 HIS 114 HE2 HIS 114 0.158 -22.302 25.237 969 H HIS 115 H HIS 115 -3.337 -21.029 31.085 970 HA HIS 115 HA HIS 115 -0.781 -21.876 32.199 971 HB2 HIS 115 2HB HIS 115 -1.233 -19.048 31.126 972 HB3 HIS 115 1HB HIS 115 0.024 -19.441 32.290 973 HD1 HIS 115 HD1 HIS 115 -0.662 -19.362 28.717 974 HD2 HIS 115 HD2 HIS 115 2.049 -21.255 31.228 975 HE1 HIS 115 HE1 HIS 115 1.186 -20.167 27.225 976 HE2 HIS 115 HE2 HIS 115 2.908 -21.100 28.792 977 H HIS 116 H HIS 116 -1.712 -22.402 34.155 978 HA HIS 116 HA HIS 116 -3.381 -20.619 35.684 979 HB2 HIS 116 2HB HIS 116 -1.686 -23.018 36.517 980 HB3 HIS 116 1HB HIS 116 -2.715 -22.130 37.638 981 HD1 HIS 116 HD1 HIS 116 -2.795 -25.114 35.800 982 HD2 HIS 116 HD2 HIS 116 -5.532 -22.042 36.375 983 HE1 HIS 116 HE1 HIS 116 -5.047 -26.116 35.315 984 HE2 HIS 116 HE2 HIS 116 -6.659 -24.194 35.501 985 H HIS 117 H HIS 117 -0.016 -20.882 35.042 986 HA HIS 117 HA HIS 117 0.529 -18.454 36.633 987 HB2 HIS 117 2HB HIS 117 1.666 -20.408 37.699 988 HB3 HIS 117 1HB HIS 117 2.449 -20.804 36.172 989 HD1 HIS 117 HD1 HIS 117 2.556 -18.359 39.018 990 HD2 HIS 117 HD2 HIS 117 4.695 -19.228 35.566 991 HE1 HIS 117 HE1 HIS 117 4.696 -17.068 39.212 992 HE2 HIS 117 HE2 HIS 117 5.916 -17.512 37.053 993 H HIS 118 H HIS 118 1.256 -16.811 35.366 994 HA HIS 118 HA HIS 118 1.326 -17.008 32.537 995 HB2 HIS 118 2HB HIS 118 0.595 -14.946 33.628 996 HB3 HIS 118 1HB HIS 118 2.173 -14.726 34.380 997 HD1 HIS 118 HD1 HIS 118 4.002 -13.642 32.976 998 HD2 HIS 118 HD2 HIS 118 0.531 -14.347 30.811 999 HE1 HIS 118 HE1 HIS 118 4.278 -12.365 30.834 1000 HE2 HIS 118 HE2 HIS 118 2.159 -12.790 29.550 Start of MODEL 14 1 H1 MET 1 1H MET 1 9.298 16.806 -2.609 2 H2 MET 1 2H MET 1 9.665 18.446 -2.459 3 H3 MET 1 3H MET 1 10.652 17.293 -1.714 4 HA MET 1 HA MET 1 11.680 18.170 -3.693 5 HB2 MET 1 2HB MET 1 10.788 15.268 -3.834 6 HB3 MET 1 1HB MET 1 11.996 15.937 -4.920 7 HG2 MET 1 2HG MET 1 13.420 16.471 -2.973 8 HG3 MET 1 1HG MET 1 12.226 15.725 -1.912 9 HE1 MET 1 3HE MET 1 14.649 13.396 -5.106 10 HE2 MET 1 1HE MET 1 14.798 15.135 -4.850 11 HE3 MET 1 2HE MET 1 13.316 14.463 -5.533 12 H GLU 2 H GLU 2 8.691 16.389 -4.468 13 HA GLU 2 HA GLU 2 8.113 18.076 -6.775 14 HB2 GLU 2 2HB GLU 2 9.683 16.306 -7.620 15 HB3 GLU 2 1HB GLU 2 8.593 15.061 -7.027 16 HG2 GLU 2 2HG GLU 2 6.890 15.758 -8.653 17 HG3 GLU 2 1HG GLU 2 7.945 17.058 -9.214 18 HA PRO 3 HA PRO 3 3.845 17.033 -5.343 19 HB2 PRO 3 2HB PRO 3 2.519 17.464 -7.776 20 HB3 PRO 3 1HB PRO 3 2.931 18.746 -6.628 21 HG2 PRO 3 2HG PRO 3 4.427 17.849 -9.092 22 HG3 PRO 3 1HG PRO 3 4.059 19.503 -8.554 23 HD2 PRO 3 2HD PRO 3 6.492 18.474 -8.154 24 HD3 PRO 3 1HD PRO 3 5.730 19.465 -6.887 25 H SER 4 H SER 4 2.203 15.370 -5.784 26 HA SER 4 HA SER 4 3.382 12.891 -6.711 27 HB2 SER 4 2HB SER 4 1.106 11.935 -5.952 28 HB3 SER 4 1HB SER 4 2.090 12.713 -4.714 29 HG SER 4 HG SER 4 0.102 14.109 -6.149 30 H LYS 5 H LYS 5 3.562 13.956 -8.920 31 HA LYS 5 HA LYS 5 1.357 13.773 -10.745 32 HB2 LYS 5 2HB LYS 5 4.385 13.774 -11.161 33 HB3 LYS 5 1HB LYS 5 3.223 13.793 -12.484 34 HG2 LYS 5 2HG LYS 5 3.511 15.949 -10.364 35 HG3 LYS 5 1HG LYS 5 4.178 16.024 -12.001 36 HD2 LYS 5 2HD LYS 5 1.235 15.981 -11.206 37 HD3 LYS 5 1HD LYS 5 2.131 17.324 -11.919 38 HE2 LYS 5 2HE LYS 5 1.383 14.705 -13.266 39 HE3 LYS 5 1HE LYS 5 0.749 16.309 -13.631 40 HZ1 LYS 5 3HZ LYS 5 2.959 16.963 -14.380 41 HZ2 LYS 5 1HZ LYS 5 2.393 15.631 -15.253 42 HZ3 LYS 5 2HZ LYS 5 3.557 15.416 -14.048 43 H LEU 6 H LEU 6 3.685 11.659 -9.354 44 HA LEU 6 HA LEU 6 3.555 9.480 -11.181 45 HB2 LEU 6 2HB LEU 6 5.458 10.070 -9.616 46 HB3 LEU 6 1HB LEU 6 4.458 9.553 -8.270 47 HG LEU 6 HG LEU 6 4.473 7.237 -9.104 48 HD11 LEU 6 1HD1 LEU 6 4.583 7.648 -11.524 49 HD12 LEU 6 2HD1 LEU 6 5.866 6.561 -11.004 50 HD13 LEU 6 3HD1 LEU 6 6.240 8.247 -11.362 51 HD21 LEU 6 3HD2 LEU 6 7.254 8.450 -8.923 52 HD22 LEU 6 1HD2 LEU 6 6.856 6.742 -8.708 53 HD23 LEU 6 2HD2 LEU 6 6.245 7.936 -7.567 54 H SER 7 H SER 7 2.006 7.963 -11.312 55 HA SER 7 HA SER 7 -0.223 7.741 -9.535 56 HB2 SER 7 2HB SER 7 -0.718 5.674 -10.955 57 HB3 SER 7 1HB SER 7 -0.575 7.184 -11.854 58 HG SER 7 HG SER 7 0.581 5.231 -12.653 59 H TYR 8 H TYR 8 -0.725 5.880 -8.179 60 HA TYR 8 HA TYR 8 1.427 5.453 -6.404 61 HB2 TYR 8 2HB TYR 8 -0.977 5.656 -5.733 62 HB3 TYR 8 1HB TYR 8 -1.274 4.047 -6.387 63 HD1 TYR 8 HD1 TYR 8 1.486 5.449 -4.239 64 HD2 TYR 8 HD2 TYR 8 -1.652 2.561 -4.554 65 HE1 TYR 8 HE1 TYR 8 2.143 4.489 -2.080 66 HE2 TYR 8 HE2 TYR 8 -0.983 1.614 -2.385 67 HH TYR 8 HH TYR 8 1.108 3.171 -0.256 68 H GLY 9 H GLY 9 0.059 3.381 -8.912 69 HA2 GLY 9 2HA GLY 9 1.231 0.906 -8.137 70 HA3 GLY 9 1HA GLY 9 0.663 1.325 -9.750 71 H GLU 10 H GLU 10 2.314 3.469 -10.371 72 HA GLU 10 HA GLU 10 4.764 2.167 -11.141 73 HB2 GLU 10 2HB GLU 10 3.976 5.102 -11.404 74 HB3 GLU 10 1HB GLU 10 5.321 4.319 -12.232 75 HG2 GLU 10 2HG GLU 10 2.366 3.794 -12.642 76 HG3 GLU 10 1HG GLU 10 3.467 4.595 -13.759 77 H TYR 11 H TYR 11 3.748 4.338 -8.624 78 HA TYR 11 HA TYR 11 6.271 5.167 -7.654 79 HB2 TYR 11 2HB TYR 11 4.254 6.366 -6.986 80 HB3 TYR 11 1HB TYR 11 3.582 4.921 -6.238 81 HD1 TYR 11 HD1 TYR 11 6.816 6.852 -6.010 82 HD2 TYR 11 HD2 TYR 11 3.620 4.962 -3.901 83 HE1 TYR 11 HE1 TYR 11 7.871 7.446 -3.881 84 HE2 TYR 11 HE2 TYR 11 4.679 5.554 -1.774 85 HH TYR 11 HH TYR 11 6.807 6.129 -0.903 86 H LEU 12 H LEU 12 4.194 2.388 -6.914 87 HA LEU 12 HA LEU 12 5.714 1.282 -4.795 88 HB2 LEU 12 2HB LEU 12 3.753 0.016 -6.736 89 HB3 LEU 12 1HB LEU 12 4.452 -0.854 -5.372 90 HG LEU 12 HG LEU 12 2.791 1.683 -5.085 91 HD11 LEU 12 1HD1 LEU 12 1.897 -1.188 -4.726 92 HD12 LEU 12 2HD1 LEU 12 1.396 -0.083 -6.010 93 HD13 LEU 12 3HD1 LEU 12 0.955 0.254 -4.338 94 HD21 LEU 12 3HD2 LEU 12 3.741 -0.315 -3.001 95 HD22 LEU 12 1HD2 LEU 12 2.680 1.065 -2.701 96 HD23 LEU 12 2HD2 LEU 12 4.341 1.332 -3.221 97 H GLU 13 H GLU 13 6.005 1.028 -8.288 98 HA GLU 13 HA GLU 13 7.838 -1.149 -8.410 99 HB2 GLU 13 2HB GLU 13 7.399 1.171 -10.337 100 HB3 GLU 13 1HB GLU 13 8.335 -0.276 -10.710 101 HG2 GLU 13 2HG GLU 13 5.369 -0.207 -10.057 102 HG3 GLU 13 1HG GLU 13 6.055 -0.346 -11.670 103 H SER 14 H SER 14 8.270 2.349 -8.142 104 HA SER 14 HA SER 14 11.153 2.321 -8.320 105 HB2 SER 14 2HB SER 14 9.308 4.531 -7.302 106 HB3 SER 14 1HB SER 14 10.963 4.724 -7.889 107 HG SER 14 HG SER 14 8.803 3.741 -9.461 108 H TRP 15 H TRP 15 8.772 2.620 -5.753 109 HA TRP 15 HA TRP 15 10.473 3.097 -3.566 110 HB2 TRP 15 2HB TRP 15 8.135 3.708 -3.393 111 HB3 TRP 15 1HB TRP 15 7.610 2.068 -3.752 112 HD1 TRP 15 HD1 TRP 15 9.371 4.039 -0.882 113 HE1 TRP 15 HE1 TRP 15 8.816 2.864 1.337 114 HE3 TRP 15 HE3 TRP 15 6.821 0.004 -2.717 115 HZ2 TRP 15 HZ2 TRP 15 7.492 0.533 2.198 116 HZ3 TRP 15 HZ3 TRP 15 5.949 -1.659 -1.124 117 HH2 TRP 15 HH2 TRP 15 6.281 -1.396 1.287 118 H PHE 16 H PHE 16 9.083 0.104 -4.926 119 HA PHE 16 HA PHE 16 9.831 -1.716 -2.930 120 HB2 PHE 16 2HB PHE 16 8.228 -2.366 -4.664 121 HB3 PHE 16 1HB PHE 16 9.453 -2.204 -5.917 122 HD1 PHE 16 HD2 PHE 16 8.733 -4.083 -2.768 123 HD2 PHE 16 HD1 PHE 16 10.687 -4.125 -6.560 124 HE1 PHE 16 HE2 PHE 16 9.415 -6.404 -2.406 125 HE2 PHE 16 HE1 PHE 16 11.369 -6.453 -6.185 126 HZ PHE 16 HZ PHE 16 10.736 -7.594 -4.103 127 H ASN 17 H ASN 17 11.567 -0.683 -5.846 128 HA ASN 17 HA ASN 17 13.804 -2.385 -5.700 129 HB2 ASN 17 2HB ASN 17 13.470 0.390 -6.914 130 HB3 ASN 17 1HB ASN 17 14.931 -0.559 -7.125 131 HD21 ASN 17 1HD2 ASN 17 12.990 0.370 -9.122 132 HD22 ASN 17 2HD2 ASN 17 12.468 -1.053 -9.955 133 H THR 18 H THR 18 13.235 0.820 -4.330 134 HA THR 18 HA THR 18 15.721 1.088 -2.954 135 HB THR 18 HB THR 18 13.042 2.481 -2.486 136 HG1 THR 18 HG1 THR 18 13.628 3.803 -4.064 137 HG21 THR 18 3HG2 THR 18 14.390 4.315 -1.500 138 HG22 THR 18 1HG2 THR 18 15.847 3.337 -1.664 139 HG23 THR 18 2HG2 THR 18 14.559 2.824 -0.569 140 H LYS 19 H LYS 19 12.660 -0.452 -2.195 141 HA LYS 19 HA LYS 19 12.850 -0.383 0.658 142 HB2 LYS 19 2HB LYS 19 10.676 -0.481 -0.596 143 HB3 LYS 19 1HB LYS 19 11.073 -2.110 -1.119 144 HG2 LYS 19 2HG LYS 19 9.470 -2.113 0.750 145 HG3 LYS 19 1HG LYS 19 10.984 -2.914 1.193 146 HD2 LYS 19 2HD LYS 19 11.723 -0.851 2.357 147 HD3 LYS 19 1HD LYS 19 10.204 -0.061 1.915 148 HE2 LYS 19 2HE LYS 19 8.954 -1.650 3.294 149 HE3 LYS 19 1HE LYS 19 10.436 -2.542 3.656 150 HZ1 LYS 19 3HZ LYS 19 9.949 0.289 4.364 151 HZ2 LYS 19 1HZ LYS 19 11.289 -0.638 4.805 152 HZ3 LYS 19 2HZ LYS 19 9.763 -1.012 5.425 153 H ARG 20 H ARG 20 13.917 -2.611 -1.830 154 HA ARG 20 HA ARG 20 14.415 -4.904 -0.280 155 HB2 ARG 20 2HB ARG 20 15.972 -3.960 -2.709 156 HB3 ARG 20 1HB ARG 20 15.953 -5.605 -2.074 157 HG2 ARG 20 2HG ARG 20 13.581 -5.825 -2.646 158 HG3 ARG 20 1HG ARG 20 13.540 -4.146 -3.198 159 HD2 ARG 20 2HD ARG 20 15.079 -6.458 -4.437 160 HD3 ARG 20 1HD ARG 20 13.708 -5.583 -5.136 161 HE ARG 20 HE ARG 20 15.999 -3.909 -4.554 162 HH11 ARG 20 1HH1 ARG 20 14.493 -5.913 -7.011 163 HH12 ARG 20 2HH1 ARG 20 15.462 -5.272 -8.293 164 HH21 ARG 20 1HH2 ARG 20 17.263 -3.079 -6.239 165 HH22 ARG 20 2HH2 ARG 20 17.015 -3.640 -7.862 166 H HIS 21 H HIS 21 16.121 -1.875 -0.288 167 HA HIS 21 HA HIS 21 18.551 -2.748 0.954 168 HB2 HIS 21 2HB HIS 21 17.159 -0.037 0.926 169 HB3 HIS 21 1HB HIS 21 18.715 -0.300 1.704 170 HD1 HIS 21 HD1 HIS 21 20.765 -0.742 0.159 171 HD2 HIS 21 HD2 HIS 21 17.251 0.175 -1.866 172 HE1 HIS 21 HE1 HIS 21 21.470 -0.141 -2.178 173 HE2 HIS 21 HE2 HIS 21 19.352 0.635 -3.296 174 H SER 22 H SER 22 15.320 -2.125 2.143 175 HA SER 22 HA SER 22 16.133 -2.091 4.961 176 HB2 SER 22 2HB SER 22 14.401 -0.489 4.185 177 HB3 SER 22 1HB SER 22 13.356 -1.824 3.708 178 HG SER 22 HG SER 22 14.311 -1.370 6.345 179 H VAL 23 H VAL 23 14.167 -4.039 2.720 180 HA VAL 23 HA VAL 23 13.991 -6.249 4.682 181 HB VAL 23 HB VAL 23 12.025 -7.075 3.410 182 HG11 VAL 23 1HG1 VAL 23 10.392 -5.318 4.047 183 HG12 VAL 23 2HG1 VAL 23 11.710 -4.159 4.238 184 HG13 VAL 23 3HG1 VAL 23 11.608 -5.561 5.304 185 HG21 VAL 23 3HG2 VAL 23 10.957 -5.731 1.615 186 HG22 VAL 23 1HG2 VAL 23 12.582 -6.240 1.151 187 HG23 VAL 23 2HG2 VAL 23 12.294 -4.582 1.675 188 H GLY 24 H GLY 24 14.690 -8.275 4.109 189 HA2 GLY 24 2HA GLY 24 16.541 -8.653 1.998 190 HA3 GLY 24 1HA GLY 24 15.851 -9.920 3.006 191 H ILE 25 H ILE 25 16.349 -10.316 0.317 192 HA ILE 25 HA ILE 25 14.310 -9.704 -1.506 193 HB ILE 25 HB ILE 25 16.299 -12.011 -1.539 194 HG12 ILE 25 2HG1 ILE 25 17.391 -9.809 -1.522 195 HG13 ILE 25 1HG1 ILE 25 17.613 -10.572 -3.092 196 HG21 ILE 25 1HG2 ILE 25 14.468 -12.609 -3.041 197 HG22 ILE 25 2HG2 ILE 25 15.898 -12.198 -3.988 198 HG23 ILE 25 3HG2 ILE 25 14.571 -11.041 -3.851 199 HD11 ILE 25 3HD1 ILE 25 17.158 -8.221 -3.338 200 HD12 ILE 25 1HD1 ILE 25 15.649 -8.380 -2.438 201 HD13 ILE 25 2HD1 ILE 25 15.829 -9.161 -4.011 202 H GLN 26 H GLN 26 14.678 -12.457 0.673 203 HA GLN 26 HA GLN 26 12.541 -14.069 -0.267 204 HB2 GLN 26 2HB GLN 26 12.752 -15.241 1.907 205 HB3 GLN 26 1HB GLN 26 14.319 -14.951 1.160 206 HG2 GLN 26 2HG GLN 26 14.716 -13.053 2.691 207 HG3 GLN 26 1HG GLN 26 13.137 -13.315 3.429 208 HE21 GLN 26 1HE2 GLN 26 15.373 -15.912 2.505 209 HE22 GLN 26 2HE2 GLN 26 15.704 -16.427 4.116 210 H THR 27 H THR 27 12.595 -11.299 1.861 211 HA THR 27 HA THR 27 9.802 -11.596 2.709 212 HB THR 27 HB THR 27 11.740 -9.292 3.245 213 HG1 THR 27 HG1 THR 27 11.216 -11.717 4.625 214 HG21 THR 27 3HG2 THR 27 10.210 -8.734 5.113 215 HG22 THR 27 1HG2 THR 27 9.133 -10.050 4.644 216 HG23 THR 27 2HG2 THR 27 9.352 -8.662 3.573 217 H ALA 28 H ALA 28 11.791 -9.825 0.444 218 HA ALA 28 HA ALA 28 10.064 -7.636 -0.123 219 HB1 ALA 28 3HB ALA 28 12.392 -8.734 -1.743 220 HB2 ALA 28 1HB ALA 28 12.518 -7.539 -0.449 221 HB3 ALA 28 2HB ALA 28 11.658 -7.141 -1.938 222 H LYS 29 H LYS 29 10.765 -10.700 -1.748 223 HA LYS 29 HA LYS 29 9.180 -10.487 -4.044 224 HB2 LYS 29 2HB LYS 29 10.938 -12.249 -3.501 225 HB3 LYS 29 1HB LYS 29 9.765 -13.040 -2.467 226 HG2 LYS 29 2HG LYS 29 9.233 -12.597 -5.420 227 HG3 LYS 29 1HG LYS 29 10.168 -13.977 -4.858 228 HD2 LYS 29 2HD LYS 29 7.297 -13.363 -4.053 229 HD3 LYS 29 1HD LYS 29 7.779 -14.535 -5.280 230 HE2 LYS 29 2HE LYS 29 8.506 -14.685 -2.326 231 HE3 LYS 29 1HE LYS 29 7.208 -15.593 -3.105 232 HZ1 LYS 29 3HZ LYS 29 9.220 -16.908 -2.866 233 HZ2 LYS 29 1HZ LYS 29 10.090 -15.799 -3.798 234 HZ3 LYS 29 2HZ LYS 29 8.834 -16.689 -4.498 235 H VAL 30 H VAL 30 8.364 -11.330 -0.737 236 HA VAL 30 HA VAL 30 5.687 -12.269 -1.195 237 HB VAL 30 HB VAL 30 7.000 -11.284 1.383 238 HG11 VAL 30 1HG1 VAL 30 4.478 -12.944 1.029 239 HG12 VAL 30 2HG1 VAL 30 4.550 -11.270 1.581 240 HG13 VAL 30 3HG1 VAL 30 5.243 -12.553 2.573 241 HG21 VAL 30 3HG2 VAL 30 8.227 -13.184 0.407 242 HG22 VAL 30 1HG2 VAL 30 6.732 -14.121 0.320 243 HG23 VAL 30 2HG2 VAL 30 7.402 -13.669 1.892 244 H LEU 31 H LEU 31 7.140 -9.189 -0.132 245 HA LEU 31 HA LEU 31 4.757 -7.749 0.398 246 HB2 LEU 31 2HB LEU 31 7.458 -6.627 -0.456 247 HB3 LEU 31 1HB LEU 31 6.156 -5.709 0.293 248 HG LEU 31 HG LEU 31 7.788 -7.917 1.612 249 HD11 LEU 31 1HD1 LEU 31 9.051 -5.854 1.342 250 HD12 LEU 31 2HD1 LEU 31 8.684 -6.141 3.039 251 HD13 LEU 31 3HD1 LEU 31 7.770 -4.932 2.135 252 HD21 LEU 31 3HD2 LEU 31 5.486 -7.982 2.452 253 HD22 LEU 31 1HD2 LEU 31 5.547 -6.256 2.826 254 HD23 LEU 31 2HD2 LEU 31 6.586 -7.391 3.691 255 H LYS 32 H LYS 32 6.756 -8.025 -2.528 256 HA LYS 32 HA LYS 32 5.233 -6.242 -4.160 257 HB2 LYS 32 2HB LYS 32 7.612 -6.793 -4.624 258 HB3 LYS 32 1HB LYS 32 7.158 -8.453 -4.973 259 HG2 LYS 32 2HG LYS 32 5.801 -7.648 -6.904 260 HG3 LYS 32 1HG LYS 32 6.320 -5.998 -6.556 261 HD2 LYS 32 2HD LYS 32 7.606 -7.013 -8.414 262 HD3 LYS 32 1HD LYS 32 8.644 -6.582 -7.055 263 HE2 LYS 32 2HE LYS 32 8.862 -8.877 -6.385 264 HE3 LYS 32 1HE LYS 32 7.575 -9.389 -7.477 265 HZ1 LYS 32 3HZ LYS 32 8.957 -8.824 -9.345 266 HZ2 LYS 32 1HZ LYS 32 9.764 -9.909 -8.331 267 HZ3 LYS 32 2HZ LYS 32 10.183 -8.275 -8.317 268 H GLY 33 H GLY 33 5.181 -9.693 -3.494 269 HA2 GLY 33 2HA GLY 33 3.291 -10.545 -5.426 270 HA3 GLY 33 1HA GLY 33 3.637 -11.345 -3.900 271 H TYR 34 H TYR 34 2.964 -8.999 -2.306 272 HA TYR 34 HA TYR 34 0.084 -9.194 -2.156 273 HB2 TYR 34 2HB TYR 34 2.144 -7.611 -0.571 274 HB3 TYR 34 1HB TYR 34 0.416 -7.479 -0.273 275 HD1 TYR 34 HD2 TYR 34 -0.213 -10.491 -0.697 276 HD2 TYR 34 HD1 TYR 34 2.738 -8.449 1.623 277 HE1 TYR 34 HE2 TYR 34 -0.160 -12.360 0.886 278 HE2 TYR 34 HE1 TYR 34 2.765 -10.315 3.216 279 HH TYR 34 HH TYR 34 1.326 -13.322 2.553 280 H LEU 35 H LEU 35 2.488 -6.818 -3.241 281 HA LEU 35 HA LEU 35 0.803 -4.563 -3.463 282 HB2 LEU 35 2HB LEU 35 3.390 -5.276 -4.880 283 HB3 LEU 35 1HB LEU 35 2.569 -3.749 -5.158 284 HG LEU 35 HG LEU 35 3.715 -4.689 -2.499 285 HD11 LEU 35 1HD1 LEU 35 5.359 -2.893 -2.760 286 HD12 LEU 35 2HD1 LEU 35 4.687 -2.486 -4.340 287 HD13 LEU 35 3HD1 LEU 35 5.471 -4.048 -4.089 288 HD21 LEU 35 3HD2 LEU 35 2.280 -2.103 -3.185 289 HD22 LEU 35 1HD2 LEU 35 3.152 -2.410 -1.679 290 HD23 LEU 35 2HD2 LEU 35 1.731 -3.365 -2.081 291 H ASN 36 H ASN 36 1.892 -6.841 -5.971 292 HA ASN 36 HA ASN 36 0.387 -5.630 -8.066 293 HB2 ASN 36 2HB ASN 36 1.678 -8.385 -7.962 294 HB3 ASN 36 1HB ASN 36 1.135 -7.561 -9.422 295 HD21 ASN 36 1HD2 ASN 36 3.804 -8.496 -8.693 296 HD22 ASN 36 2HD2 ASN 36 4.837 -7.118 -8.760 297 H SER 37 H SER 37 -0.319 -8.247 -5.818 298 HA SER 37 HA SER 37 -2.580 -9.287 -7.283 299 HB2 SER 37 2HB SER 37 -1.270 -10.741 -5.785 300 HB3 SER 37 1HB SER 37 -1.710 -9.751 -4.399 301 HG SER 37 HG SER 37 -3.194 -11.638 -5.792 302 H ARG 38 H ARG 38 -2.184 -7.272 -4.337 303 HA ARG 38 HA ARG 38 -5.096 -6.865 -4.184 304 HB2 ARG 38 2HB ARG 38 -2.904 -6.421 -2.133 305 HB3 ARG 38 1HB ARG 38 -4.580 -5.943 -1.873 306 HG2 ARG 38 2HG ARG 38 -3.609 -8.790 -2.342 307 HG3 ARG 38 1HG ARG 38 -4.052 -8.095 -0.783 308 HD2 ARG 38 2HD ARG 38 -5.937 -9.381 -1.471 309 HD3 ARG 38 1HD ARG 38 -6.397 -7.703 -1.768 310 HE ARG 38 HE ARG 38 -5.316 -9.355 -3.965 311 HH11 ARG 38 1HH1 ARG 38 -8.063 -7.596 -2.639 312 HH12 ARG 38 2HH1 ARG 38 -8.961 -7.676 -4.115 313 HH21 ARG 38 1HH2 ARG 38 -6.481 -9.349 -5.896 314 HH22 ARG 38 2HH2 ARG 38 -8.064 -8.652 -5.948 315 H ILE 39 H ILE 39 -2.110 -4.845 -3.943 316 HA ILE 39 HA ILE 39 -3.700 -2.487 -3.602 317 HB ILE 39 HB ILE 39 -0.679 -2.707 -3.981 318 HG12 ILE 39 2HG1 ILE 39 -0.726 -1.972 -1.475 319 HG13 ILE 39 1HG1 ILE 39 -2.421 -2.431 -1.485 320 HG21 ILE 39 1HG2 ILE 39 -0.585 -0.345 -3.193 321 HG22 ILE 39 2HG2 ILE 39 -2.349 -0.272 -3.233 322 HG23 ILE 39 3HG2 ILE 39 -1.442 -0.504 -4.728 323 HD11 ILE 39 3HD1 ILE 39 -1.120 -4.168 -0.512 324 HD12 ILE 39 1HD1 ILE 39 -0.033 -4.213 -1.898 325 HD13 ILE 39 2HD1 ILE 39 -1.707 -4.745 -2.072 326 H ILE 40 H ILE 40 -1.739 -3.728 -6.378 327 HA ILE 40 HA ILE 40 -1.907 -1.433 -7.968 328 HB ILE 40 HB ILE 40 -1.167 -4.272 -8.557 329 HG12 ILE 40 2HG1 ILE 40 0.851 -3.195 -9.586 330 HG13 ILE 40 1HG1 ILE 40 0.147 -1.610 -9.306 331 HG21 ILE 40 1HG2 ILE 40 -1.857 -2.409 -10.861 332 HG22 ILE 40 2HG2 ILE 40 -2.685 -3.910 -10.445 333 HG23 ILE 40 3HG2 ILE 40 -1.015 -3.953 -11.012 334 HD11 ILE 40 3HD1 ILE 40 1.863 -2.101 -7.695 335 HD12 ILE 40 1HD1 ILE 40 1.028 -3.575 -7.202 336 HD13 ILE 40 2HD1 ILE 40 0.295 -1.999 -6.888 337 HA PRO 41 HA PRO 41 -6.055 -3.249 -10.013 338 HB2 PRO 41 2HB PRO 41 -7.044 -4.935 -7.730 339 HB3 PRO 41 1HB PRO 41 -7.194 -5.200 -9.472 340 HG2 PRO 41 2HG PRO 41 -5.467 -6.635 -8.051 341 HG3 PRO 41 1HG PRO 41 -5.003 -6.030 -9.658 342 HD2 PRO 41 2HD PRO 41 -4.282 -4.925 -6.939 343 HD3 PRO 41 1HD PRO 41 -3.241 -5.170 -8.360 344 H SER 42 H SER 42 -5.659 -2.506 -6.576 345 HA SER 42 HA SER 42 -8.320 -1.247 -6.405 346 HB2 SER 42 2HB SER 42 -6.254 -1.734 -4.212 347 HB3 SER 42 1HB SER 42 -7.913 -1.182 -3.971 348 HG SER 42 HG SER 42 -7.199 -3.662 -5.165 349 H LEU 43 H LEU 43 -5.120 -0.297 -5.122 350 HA LEU 43 HA LEU 43 -5.814 2.550 -5.306 351 HB2 LEU 43 2HB LEU 43 -3.516 1.208 -3.833 352 HB3 LEU 43 1HB LEU 43 -4.063 2.868 -3.628 353 HG LEU 43 HG LEU 43 -5.720 0.413 -2.902 354 HD11 LEU 43 1HD1 LEU 43 -5.209 0.912 -0.560 355 HD12 LEU 43 2HD1 LEU 43 -4.117 2.210 -1.057 356 HD13 LEU 43 3HD1 LEU 43 -3.750 0.532 -1.470 357 HD21 LEU 43 3HD2 LEU 43 -7.111 2.371 -3.428 358 HD22 LEU 43 1HD2 LEU 43 -6.198 3.353 -2.276 359 HD23 LEU 43 2HD2 LEU 43 -7.180 2.001 -1.708 360 H GLY 44 H GLY 44 -3.840 0.270 -6.936 361 HA2 GLY 44 2HA GLY 44 -1.482 1.844 -7.409 362 HA3 GLY 44 1HA GLY 44 -1.908 0.328 -8.184 363 H ASN 45 H ASN 45 -4.255 0.887 -9.450 364 HA ASN 45 HA ASN 45 -3.618 2.459 -11.701 365 HB2 ASN 45 2HB ASN 45 -5.231 0.651 -11.891 366 HB3 ASN 45 1HB ASN 45 -6.283 1.393 -10.692 367 HD21 ASN 45 1HD2 ASN 45 -5.001 1.780 -13.986 368 HD22 ASN 45 2HD2 ASN 45 -6.315 2.734 -14.571 369 H ILE 46 H ILE 46 -5.038 3.296 -8.645 370 HA ILE 46 HA ILE 46 -6.049 5.891 -9.376 371 HB ILE 46 HB ILE 46 -5.366 4.770 -6.616 372 HG12 ILE 46 2HG1 ILE 46 -8.068 4.824 -8.045 373 HG13 ILE 46 1HG1 ILE 46 -7.083 3.385 -7.791 374 HG21 ILE 46 1HG2 ILE 46 -7.133 7.139 -7.331 375 HG22 ILE 46 2HG2 ILE 46 -5.520 7.238 -6.624 376 HG23 ILE 46 3HG2 ILE 46 -6.837 6.513 -5.707 377 HD11 ILE 46 3HD1 ILE 46 -8.900 3.467 -6.207 378 HD12 ILE 46 1HD1 ILE 46 -8.397 5.059 -5.644 379 HD13 ILE 46 2HD1 ILE 46 -7.370 3.652 -5.355 380 H LYS 47 H LYS 47 -5.078 7.876 -9.029 381 HA LYS 47 HA LYS 47 -2.232 8.115 -9.048 382 HB2 LYS 47 2HB LYS 47 -4.406 10.236 -8.720 383 HB3 LYS 47 1HB LYS 47 -2.702 10.577 -9.009 384 HG2 LYS 47 2HG LYS 47 -4.539 9.090 -10.919 385 HG3 LYS 47 1HG LYS 47 -4.092 10.793 -11.055 386 HD2 LYS 47 2HD LYS 47 -2.161 8.438 -11.200 387 HD3 LYS 47 1HD LYS 47 -2.771 9.346 -12.584 388 HE2 LYS 47 2HE LYS 47 -1.032 10.460 -10.350 389 HE3 LYS 47 1HE LYS 47 -0.495 10.053 -11.981 390 HZ1 LYS 47 3HZ LYS 47 -2.012 11.745 -12.847 391 HZ2 LYS 47 1HZ LYS 47 -0.886 12.416 -11.779 392 HZ3 LYS 47 2HZ LYS 47 -2.477 12.156 -11.274 393 H LEU 48 H LEU 48 -0.884 8.948 -7.431 394 HA LEU 48 HA LEU 48 -1.335 8.007 -4.829 395 HB2 LEU 48 2HB LEU 48 0.873 8.163 -5.850 396 HB3 LEU 48 1HB LEU 48 0.758 9.911 -5.923 397 HG LEU 48 HG LEU 48 0.984 10.100 -3.509 398 HD11 LEU 48 1HD1 LEU 48 1.332 8.144 -2.048 399 HD12 LEU 48 2HD1 LEU 48 0.958 7.078 -3.402 400 HD13 LEU 48 3HD1 LEU 48 -0.278 8.162 -2.764 401 HD21 LEU 48 3HD2 LEU 48 3.255 9.212 -3.202 402 HD22 LEU 48 1HD2 LEU 48 3.059 9.930 -4.799 403 HD23 LEU 48 2HD2 LEU 48 3.051 8.174 -4.616 404 H ALA 49 H ALA 49 -1.657 11.298 -6.144 405 HA ALA 49 HA ALA 49 -2.114 12.741 -3.759 406 HB1 ALA 49 3HB ALA 49 -3.248 13.303 -6.520 407 HB2 ALA 49 1HB ALA 49 -1.665 13.818 -5.929 408 HB3 ALA 49 2HB ALA 49 -3.132 14.456 -5.188 409 H LYS 50 H LYS 50 -4.243 10.765 -5.721 410 HA LYS 50 HA LYS 50 -6.713 11.763 -4.615 411 HB2 LYS 50 2HB LYS 50 -6.128 9.418 -6.468 412 HB3 LYS 50 1HB LYS 50 -7.751 9.943 -6.021 413 HG2 LYS 50 2HG LYS 50 -5.698 11.629 -7.499 414 HG3 LYS 50 1HG LYS 50 -7.061 10.787 -8.243 415 HD2 LYS 50 2HD LYS 50 -8.646 12.197 -6.996 416 HD3 LYS 50 1HD LYS 50 -7.316 13.001 -6.158 417 HE2 LYS 50 2HE LYS 50 -6.520 13.914 -8.317 418 HE3 LYS 50 1HE LYS 50 -7.849 13.099 -9.148 419 HZ1 LYS 50 3HZ LYS 50 -8.192 15.149 -7.033 420 HZ2 LYS 50 1HZ LYS 50 -9.414 14.435 -7.960 421 HZ3 LYS 50 2HZ LYS 50 -8.274 15.450 -8.693 422 H LEU 51 H LEU 51 -4.433 9.441 -3.528 423 HA LEU 51 HA LEU 51 -6.181 7.583 -2.247 424 HB2 LEU 51 2HB LEU 51 -3.247 8.200 -2.037 425 HB3 LEU 51 1HB LEU 51 -3.969 7.395 -0.661 426 HG LEU 51 HG LEU 51 -4.761 5.565 -2.216 427 HD11 LEU 51 1HD1 LEU 51 -2.957 6.901 -4.249 428 HD12 LEU 51 2HD1 LEU 51 -4.716 6.767 -4.340 429 HD13 LEU 51 3HD1 LEU 51 -3.719 5.315 -4.413 430 HD21 LEU 51 3HD2 LEU 51 -2.783 5.279 -0.793 431 HD22 LEU 51 1HD2 LEU 51 -1.757 5.977 -2.053 432 HD23 LEU 51 2HD2 LEU 51 -2.582 4.440 -2.329 433 H THR 52 H THR 52 -7.760 8.610 -1.128 434 HA THR 52 HA THR 52 -7.068 10.219 1.255 435 HB THR 52 HB THR 52 -8.722 11.279 -0.220 436 HG1 THR 52 HG1 THR 52 -9.600 11.949 1.565 437 HG21 THR 52 3HG2 THR 52 -10.945 10.295 -0.638 438 HG22 THR 52 1HG2 THR 52 -10.456 8.817 0.201 439 HG23 THR 52 2HG2 THR 52 -9.668 9.277 -1.311 440 H SER 53 H SER 53 -8.797 9.741 3.102 441 HA SER 53 HA SER 53 -8.227 7.178 4.180 442 HB2 SER 53 2HB SER 53 -9.853 7.882 6.002 443 HB3 SER 53 1HB SER 53 -8.568 9.051 5.681 444 HG SER 53 HG SER 53 -11.240 9.361 5.475 445 H LEU 54 H LEU 54 -10.857 8.346 2.204 446 HA LEU 54 HA LEU 54 -12.704 6.216 2.699 447 HB2 LEU 54 2HB LEU 54 -13.424 8.388 1.759 448 HB3 LEU 54 1HB LEU 54 -12.478 8.083 0.313 449 HG LEU 54 HG LEU 54 -13.952 6.220 -0.323 450 HD11 LEU 54 1HD1 LEU 54 -16.008 5.685 0.934 451 HD12 LEU 54 2HD1 LEU 54 -15.515 6.789 2.220 452 HD13 LEU 54 3HD1 LEU 54 -14.556 5.349 1.874 453 HD21 LEU 54 3HD2 LEU 54 -15.564 8.710 0.368 454 HD22 LEU 54 1HD2 LEU 54 -15.993 7.488 -0.834 455 HD23 LEU 54 2HD2 LEU 54 -14.565 8.490 -1.072 456 H HIS 55 H HIS 55 -10.054 6.707 0.374 457 HA HIS 55 HA HIS 55 -10.463 4.339 -1.172 458 HB2 HIS 55 2HB HIS 55 -7.974 6.034 -0.712 459 HB3 HIS 55 1HB HIS 55 -7.972 4.626 -1.772 460 HD1 HIS 55 HD1 HIS 55 -7.342 6.352 -3.675 461 HD2 HIS 55 HD2 HIS 55 -11.155 6.765 -2.087 462 HE1 HIS 55 HE1 HIS 55 -8.602 7.769 -5.304 463 HE2 HIS 55 HE2 HIS 55 -10.959 7.809 -4.437 464 H MET 56 H MET 56 -8.896 4.971 1.860 465 HA MET 56 HA MET 56 -7.618 2.434 2.210 466 HB2 MET 56 2HB MET 56 -8.508 4.508 4.250 467 HB3 MET 56 1HB MET 56 -7.467 3.134 4.592 468 HG2 MET 56 2HG MET 56 -6.765 5.350 2.665 469 HG3 MET 56 1HG MET 56 -6.267 5.290 4.353 470 HE1 MET 56 3HE MET 56 -4.283 3.137 0.867 471 HE2 MET 56 1HE MET 56 -5.067 4.716 0.880 472 HE3 MET 56 2HE MET 56 -6.042 3.244 0.908 473 H GLN 57 H GLN 57 -10.735 3.844 3.193 474 HA GLN 57 HA GLN 57 -11.677 1.721 4.787 475 HB2 GLN 57 2HB GLN 57 -12.642 4.028 4.838 476 HB3 GLN 57 1HB GLN 57 -13.311 3.781 3.230 477 HG2 GLN 57 2HG GLN 57 -15.030 3.513 4.950 478 HG3 GLN 57 1HG GLN 57 -14.777 1.994 4.091 479 HE21 GLN 57 1HE2 GLN 57 -13.780 0.251 5.188 480 HE22 GLN 57 2HE2 GLN 57 -13.632 0.217 6.909 481 H ASN 58 H ASN 58 -12.316 2.534 1.378 482 HA ASN 58 HA ASN 58 -13.984 0.382 0.672 483 HB2 ASN 58 2HB ASN 58 -12.069 1.984 -1.088 484 HB3 ASN 58 1HB ASN 58 -13.328 0.913 -1.702 485 HD21 ASN 58 1HD2 ASN 58 -12.959 3.782 -2.119 486 HD22 ASN 58 2HD2 ASN 58 -14.414 4.535 -1.577 487 H TYR 59 H TYR 59 -10.486 0.709 0.784 488 HA TYR 59 HA TYR 59 -9.784 -1.693 -0.547 489 HB2 TYR 59 2HB TYR 59 -8.199 0.213 -0.160 490 HB3 TYR 59 1HB TYR 59 -8.199 -0.156 1.561 491 HD1 TYR 59 HD2 TYR 59 -7.400 -1.676 -1.783 492 HD2 TYR 59 HD1 TYR 59 -6.592 -1.693 2.411 493 HE1 TYR 59 HE2 TYR 59 -5.542 -3.253 -2.141 494 HE2 TYR 59 HE1 TYR 59 -4.745 -3.267 2.049 495 HH TYR 59 HH TYR 59 -3.546 -4.013 -1.065 496 H VAL 60 H VAL 60 -10.191 -0.903 2.928 497 HA VAL 60 HA VAL 60 -9.501 -3.463 3.962 498 HB VAL 60 HB VAL 60 -11.167 -1.238 5.215 499 HG11 VAL 60 1HG1 VAL 60 -9.913 -3.659 6.580 500 HG12 VAL 60 2HG1 VAL 60 -11.641 -3.353 6.389 501 HG13 VAL 60 3HG1 VAL 60 -10.673 -2.293 7.411 502 HG21 VAL 60 3HG2 VAL 60 -8.865 -0.562 4.649 503 HG22 VAL 60 1HG2 VAL 60 -8.231 -1.935 5.550 504 HG23 VAL 60 2HG2 VAL 60 -9.082 -0.641 6.399 505 H ASN 61 H ASN 61 -12.567 -2.044 2.954 506 HA ASN 61 HA ASN 61 -14.335 -4.046 3.903 507 HB2 ASN 61 2HB ASN 61 -14.666 -2.137 1.542 508 HB3 ASN 61 1HB ASN 61 -15.966 -3.098 2.241 509 HD21 ASN 61 1HD2 ASN 61 -15.799 -0.214 1.979 510 HD22 ASN 61 2HD2 ASN 61 -15.921 0.432 3.577 511 H SER 62 H SER 62 -12.554 -3.645 0.839 512 HA SER 62 HA SER 62 -13.717 -5.929 -0.439 513 HB2 SER 62 2HB SER 62 -11.943 -5.623 -2.176 514 HB3 SER 62 1HB SER 62 -12.812 -4.128 -1.832 515 HG SER 62 HG SER 62 -11.063 -3.325 -0.850 516 H LEU 63 H LEU 63 -10.812 -5.456 1.588 517 HA LEU 63 HA LEU 63 -9.493 -7.926 1.103 518 HB2 LEU 63 2HB LEU 63 -9.545 -6.423 3.752 519 HB3 LEU 63 1HB LEU 63 -8.342 -7.602 3.249 520 HG LEU 63 HG LEU 63 -8.756 -4.820 2.138 521 HD11 LEU 63 1HD1 LEU 63 -6.421 -6.010 3.644 522 HD12 LEU 63 2HD1 LEU 63 -7.613 -4.871 4.277 523 HD13 LEU 63 3HD1 LEU 63 -6.520 -4.369 2.994 524 HD21 LEU 63 3HD2 LEU 63 -6.853 -5.229 0.627 525 HD22 LEU 63 1HD2 LEU 63 -8.222 -6.272 0.258 526 HD23 LEU 63 2HD2 LEU 63 -6.825 -6.924 1.114 527 H ARG 64 H ARG 64 -12.010 -7.010 3.346 528 HA ARG 64 HA ARG 64 -12.260 -9.421 4.815 529 HB2 ARG 64 2HB ARG 64 -13.097 -7.152 5.522 530 HB3 ARG 64 1HB ARG 64 -14.346 -7.261 4.288 531 HG2 ARG 64 2HG ARG 64 -15.373 -9.154 5.461 532 HG3 ARG 64 1HG ARG 64 -14.066 -9.150 6.653 533 HD2 ARG 64 2HD ARG 64 -16.118 -6.947 6.199 534 HD3 ARG 64 1HD ARG 64 -16.031 -8.040 7.585 535 HE ARG 64 HE ARG 64 -13.687 -6.957 7.859 536 HH11 ARG 64 1HH1 ARG 64 -16.595 -5.235 6.905 537 HH12 ARG 64 2HH1 ARG 64 -16.051 -3.720 7.549 538 HH21 ARG 64 1HH2 ARG 64 -12.962 -4.955 8.645 539 HH22 ARG 64 2HH2 ARG 64 -13.982 -3.557 8.511 540 H ASP 65 H ASP 65 -13.720 -8.201 1.833 541 HA ASP 65 HA ASP 65 -15.584 -10.374 1.490 542 HB2 ASP 65 2HB ASP 65 -16.046 -8.097 0.626 543 HB3 ASP 65 1HB ASP 65 -14.662 -8.218 -0.459 544 H GLU 66 H GLU 66 -12.279 -9.723 0.548 545 HA GLU 66 HA GLU 66 -11.999 -11.844 -1.386 546 HB2 GLU 66 2HB GLU 66 -9.910 -10.251 0.174 547 HB3 GLU 66 1HB GLU 66 -9.512 -11.452 -1.049 548 HG2 GLU 66 2HG GLU 66 -11.004 -8.855 -1.507 549 HG3 GLU 66 1HG GLU 66 -9.336 -9.201 -1.952 550 H GLY 67 H GLY 67 -12.007 -11.627 2.051 551 HA2 GLY 67 2HA GLY 67 -11.945 -13.236 3.679 552 HA3 GLY 67 1HA GLY 67 -11.850 -14.455 2.421 553 H LEU 68 H LEU 68 -9.568 -11.819 2.821 554 HA LEU 68 HA LEU 68 -7.278 -13.518 3.041 555 HB2 LEU 68 2HB LEU 68 -7.498 -10.552 3.712 556 HB3 LEU 68 1HB LEU 68 -6.011 -11.444 3.421 557 HG LEU 68 HG LEU 68 -8.158 -10.865 1.332 558 HD11 LEU 68 1HD1 LEU 68 -6.540 -9.324 0.346 559 HD12 LEU 68 2HD1 LEU 68 -5.399 -9.644 1.654 560 HD13 LEU 68 3HD1 LEU 68 -6.935 -8.844 1.995 561 HD21 LEU 68 3HD2 LEU 68 -6.546 -11.756 -0.313 562 HD22 LEU 68 1HD2 LEU 68 -7.016 -12.987 0.860 563 HD23 LEU 68 2HD2 LEU 68 -5.444 -12.198 0.995 564 H LYS 69 H LYS 69 -5.975 -13.924 4.886 565 HA LYS 69 HA LYS 69 -7.363 -14.104 7.399 566 HB2 LYS 69 2HB LYS 69 -5.345 -15.190 8.243 567 HB3 LYS 69 1HB LYS 69 -5.770 -15.845 6.667 568 HG2 LYS 69 2HG LYS 69 -3.992 -14.355 5.658 569 HG3 LYS 69 1HG LYS 69 -3.520 -13.903 7.299 570 HD2 LYS 69 2HD LYS 69 -2.033 -15.654 6.498 571 HD3 LYS 69 1HD LYS 69 -3.042 -16.303 7.794 572 HE2 LYS 69 2HE LYS 69 -4.552 -17.291 6.017 573 HE3 LYS 69 1HE LYS 69 -3.384 -16.758 4.804 574 HZ1 LYS 69 3HZ LYS 69 -1.724 -18.149 5.892 575 HZ2 LYS 69 1HZ LYS 69 -3.051 -19.051 5.365 576 HZ3 LYS 69 2HZ LYS 69 -2.882 -18.677 7.004 577 H ARG 70 H ARG 70 -6.593 -13.158 9.428 578 HA ARG 70 HA ARG 70 -6.574 -10.388 9.391 579 HB2 ARG 70 2HB ARG 70 -6.208 -10.462 11.788 580 HB3 ARG 70 1HB ARG 70 -7.195 -11.850 11.346 581 HG2 ARG 70 2HG ARG 70 -5.083 -13.246 11.368 582 HG3 ARG 70 1HG ARG 70 -4.242 -11.853 12.043 583 HD2 ARG 70 2HD ARG 70 -5.989 -11.935 13.931 584 HD3 ARG 70 1HD ARG 70 -6.442 -13.521 13.294 585 HE ARG 70 HE ARG 70 -3.993 -12.793 14.702 586 HH11 ARG 70 1HH1 ARG 70 -5.578 -15.331 12.813 587 HH12 ARG 70 2HH1 ARG 70 -4.478 -16.555 13.359 588 HH21 ARG 70 1HH2 ARG 70 -2.572 -14.390 15.349 589 HH22 ARG 70 2HH2 ARG 70 -2.772 -16.020 14.786 590 H GLY 71 H GLY 71 -3.814 -12.584 9.540 591 HA2 GLY 71 2HA GLY 71 -1.723 -10.759 9.975 592 HA3 GLY 71 1HA GLY 71 -1.584 -12.321 9.170 593 H THR 72 H THR 72 -2.955 -12.109 6.907 594 HA THR 72 HA THR 72 -1.268 -10.699 5.166 595 HB THR 72 HB THR 72 -4.059 -11.800 4.610 596 HG1 THR 72 HG1 THR 72 -2.662 -13.519 3.668 597 HG21 THR 72 3HG2 THR 72 -3.366 -11.884 2.224 598 HG22 THR 72 1HG2 THR 72 -1.856 -11.069 2.615 599 HG23 THR 72 2HG2 THR 72 -3.395 -10.221 2.811 600 H ILE 73 H ILE 73 -4.584 -9.930 6.285 601 HA ILE 73 HA ILE 73 -5.046 -7.568 4.867 602 HB ILE 73 HB ILE 73 -6.050 -8.388 7.634 603 HG12 ILE 73 2HG1 ILE 73 -7.408 -8.478 4.903 604 HG13 ILE 73 1HG1 ILE 73 -6.758 -9.868 5.765 605 HG21 ILE 73 1HG2 ILE 73 -7.819 -6.666 7.426 606 HG22 ILE 73 2HG2 ILE 73 -7.070 -6.066 5.947 607 HG23 ILE 73 3HG2 ILE 73 -6.214 -5.939 7.484 608 HD11 ILE 73 3HD1 ILE 73 -9.102 -8.165 6.605 609 HD12 ILE 73 1HD1 ILE 73 -8.449 -9.519 7.533 610 HD13 ILE 73 2HD1 ILE 73 -9.159 -9.797 5.941 611 H GLU 74 H GLU 74 -3.555 -8.023 8.079 612 HA GLU 74 HA GLU 74 -3.164 -5.268 8.622 613 HB2 GLU 74 2HB GLU 74 -3.164 -6.997 10.401 614 HB3 GLU 74 1HB GLU 74 -1.653 -7.648 9.773 615 HG2 GLU 74 2HG GLU 74 -0.496 -5.548 10.309 616 HG3 GLU 74 1HG GLU 74 -2.012 -4.836 10.856 617 H LYS 75 H LYS 75 -1.044 -7.728 7.138 618 HA LYS 75 HA LYS 75 1.356 -6.187 7.258 619 HB2 LYS 75 2HB LYS 75 0.652 -8.622 5.574 620 HB3 LYS 75 1HB LYS 75 2.253 -7.884 5.586 621 HG2 LYS 75 2HG LYS 75 2.390 -8.334 8.047 622 HG3 LYS 75 1HG LYS 75 0.852 -9.189 7.946 623 HD2 LYS 75 2HD LYS 75 3.443 -9.953 6.543 624 HD3 LYS 75 1HD LYS 75 2.698 -10.794 7.903 625 HE2 LYS 75 2HE LYS 75 0.758 -11.356 6.454 626 HE3 LYS 75 1HE LYS 75 1.544 -10.540 5.103 627 HZ1 LYS 75 3HZ LYS 75 3.395 -12.133 5.340 628 HZ2 LYS 75 1HZ LYS 75 1.923 -12.863 4.934 629 HZ3 LYS 75 2HZ LYS 75 2.505 -12.960 6.517 630 H ILE 76 H ILE 76 -1.046 -6.735 4.680 631 HA ILE 76 HA ILE 76 0.425 -5.364 2.653 632 HB ILE 76 HB ILE 76 -1.603 -5.439 1.277 633 HG12 ILE 76 2HG1 ILE 76 -3.040 -6.339 3.817 634 HG13 ILE 76 1HG1 ILE 76 -3.384 -4.902 2.856 635 HG21 ILE 76 1HG2 ILE 76 -1.918 -7.864 1.168 636 HG22 ILE 76 2HG2 ILE 76 -1.248 -8.050 2.790 637 HG23 ILE 76 3HG2 ILE 76 -0.226 -7.480 1.473 638 HD11 ILE 76 3HD1 ILE 76 -5.060 -6.594 2.485 639 HD12 ILE 76 1HD1 ILE 76 -3.837 -7.775 2.028 640 HD13 ILE 76 2HD1 ILE 76 -4.135 -6.365 1.004 641 H ILE 77 H ILE 77 -1.986 -4.352 5.034 642 HA ILE 77 HA ILE 77 -2.250 -1.645 4.256 643 HB ILE 77 HB ILE 77 -2.439 -2.927 7.017 644 HG12 ILE 77 2HG1 ILE 77 -4.179 -3.718 5.481 645 HG13 ILE 77 1HG1 ILE 77 -4.908 -2.685 6.703 646 HG21 ILE 77 1HG2 ILE 77 -1.916 -0.572 7.367 647 HG22 ILE 77 2HG2 ILE 77 -3.598 -0.874 7.798 648 HG23 ILE 77 3HG2 ILE 77 -3.208 -0.084 6.267 649 HD11 ILE 77 3HD1 ILE 77 -5.885 -2.255 4.563 650 HD12 ILE 77 1HD1 ILE 77 -4.303 -1.960 3.840 651 HD13 ILE 77 2HD1 ILE 77 -4.946 -0.849 5.053 652 H LYS 78 H LYS 78 0.110 -3.281 6.399 653 HA LYS 78 HA LYS 78 1.563 -1.028 7.286 654 HB2 LYS 78 2HB LYS 78 2.597 -3.866 6.857 655 HB3 LYS 78 1HB LYS 78 3.454 -2.612 7.749 656 HG2 LYS 78 2HG LYS 78 0.797 -3.853 8.517 657 HG3 LYS 78 1HG LYS 78 2.365 -4.203 9.248 658 HD2 LYS 78 2HD LYS 78 2.489 -1.810 10.004 659 HD3 LYS 78 1HD LYS 78 0.869 -1.549 9.346 660 HE2 LYS 78 2HE LYS 78 0.784 -1.936 11.768 661 HE3 LYS 78 1HE LYS 78 -0.035 -3.237 10.907 662 HZ1 LYS 78 3HZ LYS 78 1.914 -4.621 11.195 663 HZ2 LYS 78 1HZ LYS 78 1.377 -4.057 12.696 664 HZ3 LYS 78 2HZ LYS 78 2.737 -3.363 11.973 665 H VAL 79 H VAL 79 1.863 -2.974 4.370 666 HA VAL 79 HA VAL 79 4.315 -1.923 3.392 667 HB VAL 79 HB VAL 79 2.042 -3.204 1.800 668 HG11 VAL 79 1HG1 VAL 79 3.603 -1.997 0.327 669 HG12 VAL 79 2HG1 VAL 79 3.793 -3.735 0.114 670 HG13 VAL 79 3HG1 VAL 79 4.976 -2.834 1.064 671 HG21 VAL 79 3HG2 VAL 79 3.334 -5.321 1.995 672 HG22 VAL 79 1HG2 VAL 79 2.838 -4.717 3.570 673 HG23 VAL 79 2HG2 VAL 79 4.504 -4.507 3.040 674 H ILE 80 H ILE 80 0.907 -1.079 2.830 675 HA ILE 80 HA ILE 80 1.307 1.065 1.006 676 HB ILE 80 HB ILE 80 -1.007 0.640 2.958 677 HG12 ILE 80 2HG1 ILE 80 -0.879 -0.129 0.006 678 HG13 ILE 80 1HG1 ILE 80 -0.569 -1.257 1.320 679 HG21 ILE 80 1HG2 ILE 80 -2.357 2.069 1.449 680 HG22 ILE 80 2HG2 ILE 80 -0.938 2.374 0.446 681 HG23 ILE 80 3HG2 ILE 80 -0.986 2.967 2.107 682 HD11 ILE 80 3HD1 ILE 80 -2.820 -1.489 0.455 683 HD12 ILE 80 1HD1 ILE 80 -3.164 0.197 0.833 684 HD13 ILE 80 2HD1 ILE 80 -2.850 -0.954 2.135 685 H ARG 81 H ARG 81 1.142 0.901 4.542 686 HA ARG 81 HA ARG 81 1.113 3.650 5.169 687 HB2 ARG 81 2HB ARG 81 2.173 1.279 6.765 688 HB3 ARG 81 1HB ARG 81 2.048 2.909 7.427 689 HG2 ARG 81 2HG ARG 81 -0.369 2.877 7.169 690 HG3 ARG 81 1HG ARG 81 -0.297 1.323 6.346 691 HD2 ARG 81 2HD ARG 81 -1.028 0.900 8.574 692 HD3 ARG 81 1HD ARG 81 0.635 0.335 8.474 693 HE ARG 81 HE ARG 81 1.300 2.384 9.659 694 HH11 ARG 81 1HH1 ARG 81 -2.114 1.593 9.807 695 HH12 ARG 81 2HH1 ARG 81 -2.321 2.271 11.387 696 HH21 ARG 81 1HH2 ARG 81 1.007 3.270 11.740 697 HH22 ARG 81 2HH2 ARG 81 -0.561 3.224 12.478 698 H ASN 82 H ASN 82 3.850 1.370 4.834 699 HA ASN 82 HA ASN 82 5.872 3.283 5.482 700 HB2 ASN 82 2HB ASN 82 6.132 0.773 5.708 701 HB3 ASN 82 1HB ASN 82 6.229 0.672 3.950 702 HD21 ASN 82 1HD2 ASN 82 7.855 1.760 6.850 703 HD22 ASN 82 2HD2 ASN 82 9.412 1.989 6.136 704 H SER 83 H SER 83 4.368 2.216 2.491 705 HA SER 83 HA SER 83 6.097 3.468 0.630 706 HB2 SER 83 2HB SER 83 4.456 1.714 0.012 707 HB3 SER 83 1HB SER 83 3.126 2.807 0.397 708 HG SER 83 HG SER 83 3.531 2.811 -1.810 709 H LEU 84 H LEU 84 3.060 4.550 2.188 710 HA LEU 84 HA LEU 84 2.989 7.116 0.969 711 HB2 LEU 84 2HB LEU 84 1.586 6.159 3.486 712 HB3 LEU 84 1HB LEU 84 1.263 7.685 2.675 713 HG LEU 84 HG LEU 84 0.649 4.885 1.671 714 HD11 LEU 84 1HD1 LEU 84 -0.982 5.844 3.225 715 HD12 LEU 84 2HD1 LEU 84 -1.658 5.662 1.611 716 HD13 LEU 84 3HD1 LEU 84 -1.165 7.259 2.178 717 HD21 LEU 84 3HD2 LEU 84 1.533 6.081 -0.245 718 HD22 LEU 84 1HD2 LEU 84 0.471 7.462 0.073 719 HD23 LEU 84 2HD2 LEU 84 -0.207 5.906 -0.412 720 H GLU 85 H GLU 85 4.549 5.901 3.885 721 HA GLU 85 HA GLU 85 5.242 8.355 5.114 722 HB2 GLU 85 2HB GLU 85 6.576 5.615 5.124 723 HB3 GLU 85 1HB GLU 85 7.242 6.970 6.034 724 HG2 GLU 85 2HG GLU 85 4.454 5.822 6.409 725 HG3 GLU 85 1HG GLU 85 5.862 5.457 7.414 726 H HIS 86 H HIS 86 6.870 6.400 2.652 727 HA HIS 86 HA HIS 86 9.174 8.069 2.336 728 HB2 HIS 86 2HB HIS 86 9.094 5.646 1.713 729 HB3 HIS 86 1HB HIS 86 7.975 6.022 0.412 730 HD1 HIS 86 HD1 HIS 86 11.582 6.507 1.418 731 HD2 HIS 86 HD2 HIS 86 9.176 6.847 -1.951 732 HE1 HIS 86 HE1 HIS 86 13.165 6.854 -0.503 733 HE2 HIS 86 HE2 HIS 86 11.686 7.059 -2.537 734 H ALA 87 H ALA 87 5.953 7.999 0.940 735 HA ALA 87 HA ALA 87 6.374 9.835 -1.198 736 HB1 ALA 87 3HB ALA 87 3.792 9.072 0.210 737 HB2 ALA 87 1HB ALA 87 4.494 8.245 -1.180 738 HB3 ALA 87 2HB ALA 87 3.915 9.905 -1.344 739 H ILE 88 H ILE 88 5.238 10.253 2.181 740 HA ILE 88 HA ILE 88 4.717 13.046 2.080 741 HB ILE 88 HB ILE 88 5.652 11.420 4.494 742 HG12 ILE 88 2HG1 ILE 88 2.803 12.182 3.693 743 HG13 ILE 88 1HG1 ILE 88 3.501 10.575 3.544 744 HG21 ILE 88 1HG2 ILE 88 4.701 13.221 5.895 745 HG22 ILE 88 2HG2 ILE 88 4.318 14.155 4.448 746 HG23 ILE 88 3HG2 ILE 88 5.998 13.825 4.865 747 HD11 ILE 88 3HD1 ILE 88 2.068 10.750 5.483 748 HD12 ILE 88 1HD1 ILE 88 3.041 12.068 6.128 749 HD13 ILE 88 2HD1 ILE 88 3.728 10.446 5.981 750 H ASP 89 H ASP 89 7.625 11.160 2.735 751 HA ASP 89 HA ASP 89 9.378 13.245 3.507 752 HB2 ASP 89 2HB ASP 89 9.858 10.887 3.982 753 HB3 ASP 89 1HB ASP 89 9.948 10.521 2.263 754 H LEU 90 H LEU 90 8.578 11.850 0.343 755 HA LEU 90 HA LEU 90 10.437 13.521 -1.143 756 HB2 LEU 90 2HB LEU 90 8.176 11.707 -2.074 757 HB3 LEU 90 1HB LEU 90 9.301 12.525 -3.144 758 HG LEU 90 HG LEU 90 10.009 10.335 -1.151 759 HD11 LEU 90 1HD1 LEU 90 8.806 9.482 -3.098 760 HD12 LEU 90 2HD1 LEU 90 10.489 8.973 -3.140 761 HD13 LEU 90 3HD1 LEU 90 9.947 10.284 -4.190 762 HD21 LEU 90 3HD2 LEU 90 11.859 11.931 -1.312 763 HD22 LEU 90 1HD2 LEU 90 11.838 11.821 -3.080 764 HD23 LEU 90 2HD2 LEU 90 12.287 10.420 -2.104 765 H GLU 91 H GLU 91 7.559 14.208 0.361 766 HA GLU 91 HA GLU 91 6.008 15.834 0.317 767 HB2 GLU 91 2HB GLU 91 7.895 17.191 -1.654 768 HB3 GLU 91 1HB GLU 91 6.508 17.975 -0.905 769 HG2 GLU 91 2HG GLU 91 7.539 17.688 1.311 770 HG3 GLU 91 1HG GLU 91 8.922 16.886 0.570 771 H LEU 92 H LEU 92 5.949 13.598 -1.644 772 HA LEU 92 HA LEU 92 4.450 14.399 -3.934 773 HB2 LEU 92 2HB LEU 92 4.537 11.745 -2.428 774 HB3 LEU 92 1HB LEU 92 3.776 11.973 -3.998 775 HG LEU 92 HG LEU 92 6.751 12.352 -3.451 776 HD11 LEU 92 1HD1 LEU 92 6.113 9.996 -3.215 777 HD12 LEU 92 2HD1 LEU 92 7.117 10.250 -4.638 778 HD13 LEU 92 3HD1 LEU 92 5.375 10.018 -4.820 779 HD21 LEU 92 3HD2 LEU 92 5.258 12.303 -6.098 780 HD22 LEU 92 1HD2 LEU 92 7.006 12.436 -5.890 781 HD23 LEU 92 2HD2 LEU 92 5.954 13.730 -5.330 782 H ILE 93 H ILE 93 3.616 13.217 -0.680 783 HA ILE 93 HA ILE 93 0.929 14.465 -0.881 784 HB ILE 93 HB ILE 93 -0.047 12.671 0.543 785 HG12 ILE 93 2HG1 ILE 93 2.573 11.155 0.105 786 HG13 ILE 93 1HG1 ILE 93 2.095 11.905 1.622 787 HG21 ILE 93 1HG2 ILE 93 1.142 11.603 -2.045 788 HG22 ILE 93 2HG2 ILE 93 -0.355 12.524 -1.891 789 HG23 ILE 93 3HG2 ILE 93 -0.239 10.912 -1.188 790 HD11 ILE 93 3HD1 ILE 93 1.733 9.505 1.645 791 HD12 ILE 93 1HD1 ILE 93 0.654 9.632 0.258 792 HD13 ILE 93 2HD1 ILE 93 0.208 10.373 1.798 793 H THR 94 H THR 94 0.039 15.024 1.284 794 HA THR 94 HA THR 94 2.158 16.114 2.994 795 HB THR 94 HB THR 94 0.440 17.667 2.110 796 HG1 THR 94 HG1 THR 94 1.447 18.041 4.182 797 HG21 THR 94 3HG2 THR 94 -1.563 16.155 3.832 798 HG22 THR 94 1HG2 THR 94 -1.533 16.161 2.066 799 HG23 THR 94 2HG2 THR 94 -1.873 17.652 2.948 800 H LYS 95 H LYS 95 -0.237 13.583 3.030 801 HA LYS 95 HA LYS 95 0.237 13.021 5.872 802 HB2 LYS 95 2HB LYS 95 -1.704 14.527 5.880 803 HB3 LYS 95 1HB LYS 95 -2.526 13.543 4.678 804 HG2 LYS 95 2HG LYS 95 -2.655 11.681 6.324 805 HG3 LYS 95 1HG LYS 95 -1.877 12.713 7.523 806 HD2 LYS 95 2HD LYS 95 -4.242 12.742 7.974 807 HD3 LYS 95 1HD LYS 95 -3.818 14.318 7.313 808 HE2 LYS 95 2HE LYS 95 -5.029 12.088 5.642 809 HE3 LYS 95 1HE LYS 95 -5.994 13.302 6.472 810 HZ1 LYS 95 3HZ LYS 95 -4.840 15.012 5.178 811 HZ2 LYS 95 1HZ LYS 95 -5.680 13.921 4.195 812 HZ3 LYS 95 2HZ LYS 95 -4.004 13.806 4.334 813 H ASN 96 H ASN 96 0.350 10.909 6.274 814 HA ASN 96 HA ASN 96 -0.061 8.879 4.267 815 HB2 ASN 96 2HB ASN 96 1.776 8.776 6.008 816 HB3 ASN 96 1HB ASN 96 0.552 8.590 7.251 817 HD21 ASN 96 1HD2 ASN 96 2.597 6.799 6.937 818 HD22 ASN 96 2HD2 ASN 96 1.985 5.287 6.389 819 H VAL 97 H VAL 97 -2.231 8.698 3.771 820 HA VAL 97 HA VAL 97 -4.343 8.845 5.693 821 HB VAL 97 HB VAL 97 -5.847 8.204 3.838 822 HG11 VAL 97 1HG1 VAL 97 -5.162 10.562 4.055 823 HG12 VAL 97 2HG1 VAL 97 -5.390 10.146 2.356 824 HG13 VAL 97 3HG1 VAL 97 -3.759 10.275 3.024 825 HG21 VAL 97 3HG2 VAL 97 -4.982 7.742 1.556 826 HG22 VAL 97 1HG2 VAL 97 -4.414 6.518 2.700 827 HG23 VAL 97 2HG2 VAL 97 -3.328 7.799 2.165 828 H ALA 98 H ALA 98 -2.194 6.321 4.837 829 HA ALA 98 HA ALA 98 -4.013 4.098 5.478 830 HB1 ALA 98 3HB ALA 98 -2.084 2.658 4.939 831 HB2 ALA 98 1HB ALA 98 -1.055 4.081 4.748 832 HB3 ALA 98 2HB ALA 98 -2.400 3.805 3.638 833 H ALA 99 H ALA 99 -1.816 6.209 7.073 834 HA ALA 99 HA ALA 99 -1.034 4.619 9.293 835 HB1 ALA 99 3HB ALA 99 -1.410 7.628 9.145 836 HB2 ALA 99 1HB ALA 99 0.064 6.750 8.747 837 HB3 ALA 99 2HB ALA 99 -0.531 6.760 10.409 838 H LYS 100 H LYS 100 -3.976 6.329 8.486 839 HA LYS 100 HA LYS 100 -5.243 6.071 11.083 840 HB2 LYS 100 2HB LYS 100 -6.376 6.787 8.348 841 HB3 LYS 100 1HB LYS 100 -7.268 6.890 9.867 842 HG2 LYS 100 2HG LYS 100 -4.784 8.497 9.164 843 HG3 LYS 100 1HG LYS 100 -6.449 9.086 9.082 844 HD2 LYS 100 2HD LYS 100 -6.673 8.696 11.540 845 HD3 LYS 100 1HD LYS 100 -4.982 8.193 11.597 846 HE2 LYS 100 2HE LYS 100 -4.266 10.422 10.886 847 HE3 LYS 100 1HE LYS 100 -5.946 10.932 10.710 848 HZ1 LYS 100 3HZ LYS 100 -4.619 10.145 13.238 849 HZ2 LYS 100 1HZ LYS 100 -6.248 10.576 13.085 850 HZ3 LYS 100 2HZ LYS 100 -5.037 11.713 12.766 851 H THR 101 H THR 101 -4.580 3.933 8.573 852 HA THR 101 HA THR 101 -6.964 2.257 8.902 853 HB THR 101 HB THR 101 -4.573 1.723 7.081 854 HG1 THR 101 HG1 THR 101 -5.633 2.835 5.502 855 HG21 THR 101 3HG2 THR 101 -6.212 0.393 5.804 856 HG22 THR 101 1HG2 THR 101 -7.464 0.787 6.981 857 HG23 THR 101 2HG2 THR 101 -6.079 -0.200 7.460 858 H LYS 102 H LYS 102 -6.790 1.180 10.813 859 HA LYS 102 HA LYS 102 -4.383 -0.452 11.352 860 HB2 LYS 102 2HB LYS 102 -5.412 -0.779 13.629 861 HB3 LYS 102 1HB LYS 102 -4.998 0.889 13.265 862 HG2 LYS 102 2HG LYS 102 -7.345 1.427 12.844 863 HG3 LYS 102 1HG LYS 102 -7.802 -0.262 13.074 864 HD2 LYS 102 2HD LYS 102 -8.307 1.118 15.076 865 HD3 LYS 102 1HD LYS 102 -7.146 -0.161 15.436 866 HE2 LYS 102 2HE LYS 102 -5.301 1.532 15.230 867 HE3 LYS 102 1HE LYS 102 -6.521 2.785 15.000 868 HZ1 LYS 102 3HZ LYS 102 -7.391 2.263 17.195 869 HZ2 LYS 102 1HZ LYS 102 -5.759 2.704 17.269 870 HZ3 LYS 102 2HZ LYS 102 -6.204 1.077 17.408 871 H LEU 103 H LEU 103 -4.799 -2.659 12.139 872 HA LEU 103 HA LEU 103 -6.451 -4.223 10.444 873 HB2 LEU 103 2HB LEU 103 -4.407 -5.158 11.452 874 HB3 LEU 103 1HB LEU 103 -5.059 -4.927 13.065 875 HG LEU 103 HG LEU 103 -6.827 -6.644 12.567 876 HD11 LEU 103 1HD1 LEU 103 -6.914 -6.464 10.132 877 HD12 LEU 103 2HD1 LEU 103 -6.616 -8.125 10.635 878 HD13 LEU 103 3HD1 LEU 103 -5.289 -7.145 10.005 879 HD21 LEU 103 3HD2 LEU 103 -4.793 -7.293 13.784 880 HD22 LEU 103 1HD2 LEU 103 -3.978 -7.655 12.260 881 HD23 LEU 103 2HD2 LEU 103 -5.372 -8.614 12.772 882 HA PRO 104 HA PRO 104 -10.437 -3.704 12.730 883 HB2 PRO 104 2HB PRO 104 -11.103 -6.103 11.015 884 HB3 PRO 104 1HB PRO 104 -12.022 -4.608 11.262 885 HG2 PRO 104 2HG PRO 104 -10.687 -4.982 9.001 886 HG3 PRO 104 1HG PRO 104 -10.668 -3.387 9.781 887 HD2 PRO 104 2HD PRO 104 -8.538 -5.529 9.801 888 HD3 PRO 104 1HD PRO 104 -8.360 -3.768 9.599 889 H LYS 105 H LYS 105 -11.933 -5.363 13.887 890 HA LYS 105 HA LYS 105 -10.354 -7.066 15.595 891 HB2 LYS 105 2HB LYS 105 -12.528 -7.578 16.739 892 HB3 LYS 105 1HB LYS 105 -12.145 -5.861 16.651 893 HG2 LYS 105 2HG LYS 105 -13.727 -5.595 14.783 894 HG3 LYS 105 1HG LYS 105 -14.094 -7.322 14.839 895 HD2 LYS 105 2HD LYS 105 -14.968 -7.033 17.153 896 HD3 LYS 105 1HD LYS 105 -14.655 -5.297 17.047 897 HE2 LYS 105 2HE LYS 105 -16.268 -5.107 15.203 898 HE3 LYS 105 1HE LYS 105 -16.540 -6.852 15.234 899 HZ1 LYS 105 3HZ LYS 105 -17.098 -5.030 17.502 900 HZ2 LYS 105 1HZ LYS 105 -17.482 -6.670 17.405 901 HZ3 LYS 105 2HZ LYS 105 -18.258 -5.555 16.397 902 H ALA 106 H ALA 106 -9.522 -8.319 13.847 903 HA ALA 106 HA ALA 106 -11.193 -10.611 12.976 904 HB1 ALA 106 3HB ALA 106 -9.637 -10.837 11.083 905 HB2 ALA 106 1HB ALA 106 -8.677 -9.480 11.683 906 HB3 ALA 106 2HB ALA 106 -10.326 -9.214 11.112 907 H ASP 107 H ASP 107 -9.293 -9.835 15.399 908 HA ASP 107 HA ASP 107 -7.678 -12.328 15.483 909 HB2 ASP 107 2HB ASP 107 -6.276 -10.240 15.318 910 HB3 ASP 107 1HB ASP 107 -7.065 -9.601 16.756 911 H LYS 108 H LYS 108 -7.773 -13.490 17.434 912 HA LYS 108 HA LYS 108 -9.740 -12.585 19.455 913 HB2 LYS 108 2HB LYS 108 -8.799 -15.436 18.884 914 HB3 LYS 108 1HB LYS 108 -10.007 -14.958 20.076 915 HG2 LYS 108 2HG LYS 108 -11.336 -14.002 18.069 916 HG3 LYS 108 1HG LYS 108 -10.224 -14.919 17.055 917 HD2 LYS 108 2HD LYS 108 -12.222 -16.236 17.380 918 HD3 LYS 108 1HD LYS 108 -10.903 -17.000 18.268 919 HE2 LYS 108 2HE LYS 108 -11.745 -16.108 20.376 920 HE3 LYS 108 1HE LYS 108 -12.990 -15.181 19.534 921 HZ1 LYS 108 3HZ LYS 108 -13.969 -17.261 18.793 922 HZ2 LYS 108 1HZ LYS 108 -13.896 -17.183 20.482 923 HZ3 LYS 108 2HZ LYS 108 -12.790 -18.142 19.630 924 H GLU 109 H GLU 109 -8.968 -12.045 21.381 925 HA GLU 109 HA GLU 109 -6.108 -12.359 21.960 926 HB2 GLU 109 2HB GLU 109 -7.207 -10.097 22.077 927 HB3 GLU 109 1HB GLU 109 -8.234 -10.678 23.382 928 HG2 GLU 109 2HG GLU 109 -6.408 -9.347 24.272 929 HG3 GLU 109 1HG GLU 109 -6.248 -11.021 24.803 930 H GLU 110 H GLU 110 -5.343 -13.231 23.918 931 HA GLU 110 HA GLU 110 -7.216 -14.853 25.553 932 HB2 GLU 110 2HB GLU 110 -4.517 -15.719 24.418 933 HB3 GLU 110 1HB GLU 110 -5.421 -16.632 25.622 934 HG2 GLU 110 2HG GLU 110 -7.225 -17.046 24.066 935 HG3 GLU 110 1HG GLU 110 -6.510 -15.960 22.875 936 H LEU 111 H LEU 111 -6.371 -12.288 26.252 937 HA LEU 111 HA LEU 111 -4.318 -12.581 28.354 938 HB2 LEU 111 2HB LEU 111 -5.965 -10.174 27.467 939 HB3 LEU 111 1HB LEU 111 -4.810 -10.131 28.795 940 HG LEU 111 HG LEU 111 -4.158 -10.629 25.867 941 HD11 LEU 111 1HD1 LEU 111 -4.701 -8.293 26.336 942 HD12 LEU 111 2HD1 LEU 111 -2.996 -8.479 25.951 943 HD13 LEU 111 3HD1 LEU 111 -3.497 -8.247 27.628 944 HD21 LEU 111 3HD2 LEU 111 -2.270 -10.538 28.241 945 HD22 LEU 111 1HD2 LEU 111 -1.784 -10.589 26.544 946 HD23 LEU 111 2HD2 LEU 111 -2.652 -11.947 27.250 947 H GLU 112 H GLU 112 -7.666 -12.760 27.891 948 HA GLU 112 HA GLU 112 -8.642 -11.699 30.360 949 HB2 GLU 112 2HB GLU 112 -10.013 -13.414 28.227 950 HB3 GLU 112 1HB GLU 112 -10.842 -12.636 29.565 951 HG2 GLU 112 2HG GLU 112 -11.165 -11.380 27.489 952 HG3 GLU 112 1HG GLU 112 -10.287 -10.422 28.681 953 H HIS 113 H HIS 113 -7.910 -12.747 32.145 954 HA HIS 113 HA HIS 113 -8.510 -15.570 32.591 955 HB2 HIS 113 2HB HIS 113 -6.096 -15.130 31.512 956 HB3 HIS 113 1HB HIS 113 -5.665 -14.648 33.147 957 HD1 HIS 113 HD1 HIS 113 -6.454 -17.612 31.037 958 HD2 HIS 113 HD2 HIS 113 -5.589 -16.808 35.018 959 HE1 HIS 113 HE1 HIS 113 -5.934 -19.833 32.069 960 HE2 HIS 113 HE2 HIS 113 -5.245 -19.301 34.430 961 H HIS 114 H HIS 114 -7.863 -16.113 34.976 962 HA HIS 114 HA HIS 114 -9.250 -14.459 36.730 963 HB2 HIS 114 2HB HIS 114 -8.721 -16.918 37.061 964 HB3 HIS 114 1HB HIS 114 -7.103 -16.457 37.573 965 HD1 HIS 114 HD1 HIS 114 -10.590 -16.758 38.769 966 HD2 HIS 114 HD2 HIS 114 -7.038 -15.073 40.130 967 HE1 HIS 114 HE1 HIS 114 -10.966 -16.259 41.202 968 HE2 HIS 114 HE2 HIS 114 -8.761 -15.374 42.032 969 H HIS 115 H HIS 115 -5.792 -14.486 36.026 970 HA HIS 115 HA HIS 115 -5.530 -11.851 37.338 971 HB2 HIS 115 2HB HIS 115 -3.421 -14.050 37.119 972 HB3 HIS 115 1HB HIS 115 -3.062 -12.401 37.624 973 HD1 HIS 115 HD1 HIS 115 -4.539 -11.605 39.814 974 HD2 HIS 115 HD2 HIS 115 -4.020 -15.691 39.243 975 HE1 HIS 115 HE1 HIS 115 -5.081 -12.664 42.024 976 HE2 HIS 115 HE2 HIS 115 -4.604 -15.110 41.692 977 H HIS 116 H HIS 116 -3.758 -10.548 36.312 978 HA HIS 116 HA HIS 116 -3.494 -10.953 33.392 979 HB2 HIS 116 2HB HIS 116 -4.643 -8.483 34.759 980 HB3 HIS 116 1HB HIS 116 -3.899 -8.384 33.164 981 HD1 HIS 116 HD1 HIS 116 -6.946 -9.670 34.919 982 HD2 HIS 116 HD2 HIS 116 -5.408 -9.479 31.066 983 HE1 HIS 116 HE1 HIS 116 -8.859 -10.251 33.405 984 HE2 HIS 116 HE2 HIS 116 -7.951 -9.933 31.085 985 H HIS 117 H HIS 117 -1.911 -9.542 32.400 986 HA HIS 117 HA HIS 117 0.396 -8.919 34.150 987 HB2 HIS 117 2HB HIS 117 0.360 -9.731 31.203 988 HB3 HIS 117 1HB HIS 117 1.803 -9.247 32.093 989 HD1 HIS 117 HD1 HIS 117 2.683 -10.909 33.910 990 HD2 HIS 117 HD2 HIS 117 -0.440 -12.366 31.596 991 HE1 HIS 117 HE1 HIS 117 2.671 -13.391 34.278 992 HE2 HIS 117 HE2 HIS 117 0.871 -14.260 32.753 993 H HIS 118 H HIS 118 1.799 -7.158 33.297 994 HA HIS 118 HA HIS 118 0.665 -5.158 31.540 995 HB2 HIS 118 2HB HIS 118 -0.456 -4.582 33.690 996 HB3 HIS 118 1HB HIS 118 1.108 -4.500 34.499 997 HD1 HIS 118 HD1 HIS 118 -0.923 -2.725 31.848 998 HD2 HIS 118 HD2 HIS 118 2.373 -2.030 34.282 999 HE1 HIS 118 HE1 HIS 118 -0.349 -0.301 31.527 1000 HE2 HIS 118 HE2 HIS 118 1.505 0.139 33.172 Start of MODEL 15 1 H1 MET 1 1H MET 1 9.953 23.575 -14.230 2 H2 MET 1 2H MET 1 9.654 24.710 -15.453 3 H3 MET 1 3H MET 1 10.723 23.429 -15.723 4 HA MET 1 HA MET 1 7.846 23.128 -15.175 5 HB2 MET 1 2HB MET 1 7.589 22.583 -17.575 6 HB3 MET 1 1HB MET 1 8.186 24.219 -17.356 7 HG2 MET 1 2HG MET 1 10.421 23.539 -17.999 8 HG3 MET 1 1HG MET 1 9.927 21.847 -18.070 9 HE1 MET 1 3HE MET 1 10.552 22.673 -21.849 10 HE2 MET 1 1HE MET 1 10.918 21.569 -20.522 11 HE3 MET 1 2HE MET 1 11.477 23.240 -20.459 12 H GLU 2 H GLU 2 7.447 21.188 -14.313 13 HA GLU 2 HA GLU 2 8.234 18.758 -15.538 14 HB2 GLU 2 2HB GLU 2 10.350 19.208 -14.250 15 HB3 GLU 2 1HB GLU 2 9.417 19.176 -12.754 16 HG2 GLU 2 2HG GLU 2 8.829 16.836 -13.128 17 HG3 GLU 2 1HG GLU 2 9.640 16.854 -14.694 18 HA PRO 3 HA PRO 3 4.253 18.516 -13.232 19 HB2 PRO 3 2HB PRO 3 2.896 16.955 -15.005 20 HB3 PRO 3 1HB PRO 3 3.191 18.674 -15.318 21 HG2 PRO 3 2HG PRO 3 4.659 16.273 -16.393 22 HG3 PRO 3 1HG PRO 3 4.132 17.736 -17.252 23 HD2 PRO 3 2HD PRO 3 6.711 17.351 -16.326 24 HD3 PRO 3 1HD PRO 3 5.983 18.952 -16.560 25 H SER 4 H SER 4 4.066 17.142 -11.532 26 HA SER 4 HA SER 4 5.593 14.750 -11.325 27 HB2 SER 4 2HB SER 4 5.067 16.149 -9.333 28 HB3 SER 4 1HB SER 4 3.360 15.746 -9.503 29 HG SER 4 HG SER 4 5.491 13.952 -8.941 30 H LYS 5 H LYS 5 2.065 14.968 -10.804 31 HA LYS 5 HA LYS 5 0.281 13.716 -11.442 32 HB2 LYS 5 2HB LYS 5 1.899 13.276 -13.990 33 HB3 LYS 5 1HB LYS 5 0.158 13.073 -13.830 34 HG2 LYS 5 2HG LYS 5 1.646 15.704 -13.503 35 HG3 LYS 5 1HG LYS 5 0.798 15.191 -14.966 36 HD2 LYS 5 2HD LYS 5 -0.504 15.648 -12.240 37 HD3 LYS 5 1HD LYS 5 -0.533 16.790 -13.587 38 HE2 LYS 5 2HE LYS 5 -1.753 15.090 -14.956 39 HE3 LYS 5 1HE LYS 5 -1.767 14.013 -13.559 40 HZ1 LYS 5 3HZ LYS 5 -3.832 15.176 -13.773 41 HZ2 LYS 5 1HZ LYS 5 -3.052 16.673 -13.726 42 HZ3 LYS 5 2HZ LYS 5 -3.048 15.672 -12.363 43 H LEU 6 H LEU 6 2.400 12.373 -9.968 44 HA LEU 6 HA LEU 6 3.022 9.834 -11.103 45 HB2 LEU 6 2HB LEU 6 4.537 10.967 -9.545 46 HB3 LEU 6 1HB LEU 6 3.334 10.888 -8.267 47 HG LEU 6 HG LEU 6 3.550 8.434 -8.166 48 HD11 LEU 6 1HD1 LEU 6 5.263 7.228 -9.455 49 HD12 LEU 6 2HD1 LEU 6 5.615 8.691 -10.374 50 HD13 LEU 6 3HD1 LEU 6 4.030 7.923 -10.505 51 HD21 LEU 6 3HD2 LEU 6 5.819 8.293 -7.250 52 HD22 LEU 6 1HD2 LEU 6 5.043 9.799 -6.765 53 HD23 LEU 6 2HD2 LEU 6 6.257 9.806 -8.049 54 H SER 7 H SER 7 1.757 8.096 -11.191 55 HA SER 7 HA SER 7 -0.576 7.712 -9.539 56 HB2 SER 7 2HB SER 7 -0.693 5.482 -10.717 57 HB3 SER 7 1HB SER 7 -0.653 6.858 -11.813 58 HG SER 7 HG SER 7 0.759 4.970 -12.246 59 H TYR 8 H TYR 8 -0.802 6.153 -7.913 60 HA TYR 8 HA TYR 8 1.360 5.710 -6.183 61 HB2 TYR 8 2HB TYR 8 -1.024 5.827 -5.507 62 HB3 TYR 8 1HB TYR 8 -1.327 4.287 -6.301 63 HD1 TYR 8 HD1 TYR 8 1.428 5.416 -3.962 64 HD2 TYR 8 HD2 TYR 8 -1.814 2.717 -4.605 65 HE1 TYR 8 HE1 TYR 8 1.937 4.287 -1.835 66 HE2 TYR 8 HE2 TYR 8 -1.303 1.607 -2.483 67 HH TYR 8 HH TYR 8 0.814 2.886 -0.179 68 H GLY 9 H GLY 9 0.042 3.768 -8.798 69 HA2 GLY 9 2HA GLY 9 1.255 1.276 -8.266 70 HA3 GLY 9 1HA GLY 9 0.760 1.868 -9.847 71 H GLU 10 H GLU 10 2.338 3.922 -10.433 72 HA GLU 10 HA GLU 10 4.856 2.748 -11.067 73 HB2 GLU 10 2HB GLU 10 3.860 5.612 -11.312 74 HB3 GLU 10 1HB GLU 10 5.437 5.085 -11.902 75 HG2 GLU 10 2HG GLU 10 2.764 3.990 -12.831 76 HG3 GLU 10 1HG GLU 10 3.728 5.191 -13.691 77 H TYR 11 H TYR 11 3.739 4.820 -8.499 78 HA TYR 11 HA TYR 11 6.246 5.523 -7.395 79 HB2 TYR 11 2HB TYR 11 4.265 6.765 -6.666 80 HB3 TYR 11 1HB TYR 11 3.507 5.291 -6.057 81 HD1 TYR 11 HD1 TYR 11 6.695 7.238 -5.638 82 HD2 TYR 11 HD2 TYR 11 3.693 4.865 -3.724 83 HE1 TYR 11 HE1 TYR 11 7.855 7.488 -3.497 84 HE2 TYR 11 HE2 TYR 11 4.855 5.134 -1.582 85 HH TYR 11 HH TYR 11 6.996 5.636 -0.733 86 H LEU 12 H LEU 12 4.061 2.731 -6.865 87 HA LEU 12 HA LEU 12 5.466 1.556 -4.694 88 HB2 LEU 12 2HB LEU 12 3.533 0.375 -6.710 89 HB3 LEU 12 1HB LEU 12 4.218 -0.583 -5.402 90 HG LEU 12 HG LEU 12 2.544 1.923 -4.976 91 HD11 LEU 12 1HD1 LEU 12 0.728 0.423 -4.314 92 HD12 LEU 12 2HD1 LEU 12 1.702 -0.977 -4.780 93 HD13 LEU 12 3HD1 LEU 12 1.184 0.191 -6.001 94 HD21 LEU 12 3HD2 LEU 12 4.088 1.502 -3.127 95 HD22 LEU 12 1HD2 LEU 12 3.527 -0.169 -3.000 96 HD23 LEU 12 2HD2 LEU 12 2.433 1.167 -2.628 97 H GLU 13 H GLU 13 5.851 1.299 -8.168 98 HA GLU 13 HA GLU 13 7.712 -0.840 -8.239 99 HB2 GLU 13 2HB GLU 13 7.392 1.535 -10.126 100 HB3 GLU 13 1HB GLU 13 8.351 0.095 -10.473 101 HG2 GLU 13 2HG GLU 13 5.349 0.179 -10.039 102 HG3 GLU 13 1HG GLU 13 6.159 0.030 -11.592 103 H SER 14 H SER 14 8.224 2.691 -8.316 104 HA SER 14 HA SER 14 11.050 2.655 -8.216 105 HB2 SER 14 2HB SER 14 9.126 4.849 -7.350 106 HB3 SER 14 1HB SER 14 10.824 5.072 -7.785 107 HG SER 14 HG SER 14 8.658 4.974 -9.377 108 H TRP 15 H TRP 15 8.598 2.765 -5.710 109 HA TRP 15 HA TRP 15 10.232 3.212 -3.446 110 HB2 TRP 15 2HB TRP 15 7.851 3.625 -3.246 111 HB3 TRP 15 1HB TRP 15 7.456 1.995 -3.777 112 HD1 TRP 15 HD1 TRP 15 9.144 3.732 -0.713 113 HE1 TRP 15 HE1 TRP 15 8.648 2.321 1.376 114 HE3 TRP 15 HE3 TRP 15 6.666 -0.166 -2.922 115 HZ2 TRP 15 HZ2 TRP 15 7.384 -0.110 2.015 116 HZ3 TRP 15 HZ3 TRP 15 5.850 -2.000 -1.489 117 HH2 TRP 15 HH2 TRP 15 6.202 -1.972 0.931 118 H PHE 16 H PHE 16 8.966 0.281 -5.041 119 HA PHE 16 HA PHE 16 9.865 -1.639 -3.222 120 HB2 PHE 16 2HB PHE 16 8.229 -2.188 -4.963 121 HB3 PHE 16 1HB PHE 16 9.422 -1.916 -6.230 122 HD1 PHE 16 HD2 PHE 16 8.804 -4.038 -3.203 123 HD2 PHE 16 HD1 PHE 16 10.694 -3.756 -7.028 124 HE1 PHE 16 HE2 PHE 16 9.528 -6.362 -3.033 125 HE2 PHE 16 HE1 PHE 16 11.417 -6.099 -6.835 126 HZ PHE 16 HZ PHE 16 10.832 -7.407 -4.836 127 H ASN 17 H ASN 17 11.507 -0.361 -6.135 128 HA ASN 17 HA ASN 17 13.780 -1.997 -6.137 129 HB2 ASN 17 2HB ASN 17 13.402 0.855 -7.124 130 HB3 ASN 17 1HB ASN 17 14.925 -0.001 -7.322 131 HD21 ASN 17 1HD2 ASN 17 11.649 0.286 -8.432 132 HD22 ASN 17 2HD2 ASN 17 11.776 -0.802 -9.761 133 H THR 18 H THR 18 13.294 1.145 -4.518 134 HA THR 18 HA THR 18 15.905 1.079 -3.279 135 HB THR 18 HB THR 18 14.811 3.222 -3.993 136 HG1 THR 18 HG1 THR 18 15.141 3.770 -1.353 137 HG21 THR 18 3HG2 THR 18 13.113 4.279 -2.544 138 HG22 THR 18 1HG2 THR 18 13.016 2.813 -1.566 139 HG23 THR 18 2HG2 THR 18 12.486 2.788 -3.251 140 H LYS 19 H LYS 19 12.803 -0.220 -2.486 141 HA LYS 19 HA LYS 19 12.999 -0.142 0.385 142 HB2 LYS 19 2HB LYS 19 10.806 -0.242 -0.870 143 HB3 LYS 19 1HB LYS 19 11.195 -1.879 -1.367 144 HG2 LYS 19 2HG LYS 19 9.603 -1.882 0.495 145 HG3 LYS 19 1HG LYS 19 11.136 -2.623 0.983 146 HD2 LYS 19 2HD LYS 19 11.808 -0.449 2.025 147 HD3 LYS 19 1HD LYS 19 10.226 0.218 1.612 148 HE2 LYS 19 2HE LYS 19 9.118 -1.304 3.116 149 HE3 LYS 19 1HE LYS 19 10.600 -2.232 3.360 150 HZ1 LYS 19 3HZ LYS 19 11.580 -0.284 4.407 151 HZ2 LYS 19 1HZ LYS 19 10.185 -0.799 5.212 152 HZ3 LYS 19 2HZ LYS 19 10.127 0.560 4.214 153 H ARG 20 H ARG 20 13.833 -2.448 -2.151 154 HA ARG 20 HA ARG 20 14.458 -4.745 -0.695 155 HB2 ARG 20 2HB ARG 20 15.887 -3.615 -3.130 156 HB3 ARG 20 1HB ARG 20 16.041 -5.274 -2.554 157 HG2 ARG 20 2HG ARG 20 13.705 -5.729 -3.082 158 HG3 ARG 20 1HG ARG 20 13.440 -4.032 -3.508 159 HD2 ARG 20 2HD ARG 20 15.254 -5.997 -4.945 160 HD3 ARG 20 1HD ARG 20 13.719 -5.349 -5.540 161 HE ARG 20 HE ARG 20 15.213 -3.121 -5.081 162 HH11 ARG 20 1HH1 ARG 20 15.820 -5.991 -7.006 163 HH12 ARG 20 2HH1 ARG 20 16.798 -5.142 -8.161 164 HH21 ARG 20 1HH2 ARG 20 16.515 -2.035 -6.569 165 HH22 ARG 20 2HH2 ARG 20 17.204 -2.903 -7.905 166 H HIS 21 H HIS 21 16.123 -1.706 -0.665 167 HA HIS 21 HA HIS 21 18.660 -2.720 0.320 168 HB2 HIS 21 2HB HIS 21 17.589 0.139 0.120 169 HB3 HIS 21 1HB HIS 21 19.239 -0.299 0.553 170 HD1 HIS 21 HD1 HIS 21 20.788 -0.069 -1.351 171 HD2 HIS 21 HD2 HIS 21 16.977 -1.089 -2.636 172 HE1 HIS 21 HE1 HIS 21 20.921 -0.126 -3.855 173 HE2 HIS 21 HE2 HIS 21 18.559 -0.564 -4.608 174 H SER 22 H SER 22 15.612 -1.723 1.715 175 HA SER 22 HA SER 22 16.765 -1.476 4.422 176 HB2 SER 22 2HB SER 22 14.530 -0.592 5.063 177 HB3 SER 22 1HB SER 22 15.244 0.318 3.733 178 HG SER 22 HG SER 22 13.682 -1.777 2.911 179 H VAL 23 H VAL 23 14.736 -3.604 2.494 180 HA VAL 23 HA VAL 23 14.430 -5.475 4.787 181 HB VAL 23 HB VAL 23 12.352 -6.376 3.784 182 HG11 VAL 23 1HG1 VAL 23 12.194 -3.364 4.216 183 HG12 VAL 23 2HG1 VAL 23 12.123 -4.603 5.472 184 HG13 VAL 23 3HG1 VAL 23 10.828 -4.484 4.280 185 HG21 VAL 23 3HG2 VAL 23 12.782 -5.882 1.393 186 HG22 VAL 23 1HG2 VAL 23 12.567 -4.158 1.697 187 HG23 VAL 23 2HG2 VAL 23 11.205 -5.266 1.885 188 H GLY 24 H GLY 24 14.361 -7.768 4.185 189 HA2 GLY 24 2HA GLY 24 16.487 -8.550 2.476 190 HA3 GLY 24 1HA GLY 24 15.333 -9.629 3.251 191 H ILE 25 H ILE 25 16.423 -9.815 0.572 192 HA ILE 25 HA ILE 25 14.679 -8.872 -1.437 193 HB ILE 25 HB ILE 25 16.645 -11.201 -1.485 194 HG12 ILE 25 2HG1 ILE 25 17.694 -8.992 -1.154 195 HG13 ILE 25 1HG1 ILE 25 18.123 -9.638 -2.729 196 HG21 ILE 25 1HG2 ILE 25 16.537 -11.159 -3.974 197 HG22 ILE 25 2HG2 ILE 25 15.192 -10.019 -3.891 198 HG23 ILE 25 3HG2 ILE 25 15.007 -11.654 -3.251 199 HD11 ILE 25 3HD1 ILE 25 17.675 -7.273 -2.847 200 HD12 ILE 25 1HD1 ILE 25 16.060 -7.516 -2.184 201 HD13 ILE 25 2HD1 ILE 25 16.470 -8.169 -3.771 202 H GLN 26 H GLN 26 14.751 -11.993 0.289 203 HA GLN 26 HA GLN 26 12.631 -13.268 -1.092 204 HB2 GLN 26 2HB GLN 26 12.509 -14.810 0.850 205 HB3 GLN 26 1HB GLN 26 14.167 -14.545 0.331 206 HG2 GLN 26 2HG GLN 26 14.479 -12.945 2.220 207 HG3 GLN 26 1HG GLN 26 12.837 -13.274 2.752 208 HE21 GLN 26 1HE2 GLN 26 15.120 -15.701 1.550 209 HE22 GLN 26 2HE2 GLN 26 15.287 -16.540 3.051 210 H THR 27 H THR 27 12.667 -11.194 1.759 211 HA THR 27 HA THR 27 9.904 -11.351 2.422 212 HB THR 27 HB THR 27 11.932 -9.173 3.106 213 HG1 THR 27 HG1 THR 27 11.293 -11.691 4.216 214 HG21 THR 27 3HG2 THR 27 9.592 -8.412 3.510 215 HG22 THR 27 1HG2 THR 27 10.454 -8.667 5.029 216 HG23 THR 27 2HG2 THR 27 9.285 -9.862 4.467 217 H ALA 28 H ALA 28 11.808 -9.177 0.405 218 HA ALA 28 HA ALA 28 9.847 -7.165 -0.068 219 HB1 ALA 28 3HB ALA 28 12.272 -6.761 -0.344 220 HB2 ALA 28 1HB ALA 28 11.400 -6.391 -1.838 221 HB3 ALA 28 2HB ALA 28 12.320 -7.891 -1.696 222 H LYS 29 H LYS 29 10.812 -10.125 -1.719 223 HA LYS 29 HA LYS 29 9.293 -9.930 -4.074 224 HB2 LYS 29 2HB LYS 29 11.092 -11.448 -4.061 225 HB3 LYS 29 1HB LYS 29 10.676 -12.118 -2.498 226 HG2 LYS 29 2HG LYS 29 8.846 -12.647 -4.826 227 HG3 LYS 29 1HG LYS 29 10.381 -13.516 -4.727 228 HD2 LYS 29 2HD LYS 29 9.742 -14.316 -2.439 229 HD3 LYS 29 1HD LYS 29 8.185 -13.499 -2.610 230 HE2 LYS 29 2HE LYS 29 9.218 -15.781 -4.312 231 HE3 LYS 29 1HE LYS 29 7.950 -15.868 -3.087 232 HZ1 LYS 29 3HZ LYS 29 6.639 -14.316 -4.440 233 HZ2 LYS 29 1HZ LYS 29 6.977 -15.746 -5.275 234 HZ3 LYS 29 2HZ LYS 29 7.836 -14.336 -5.633 235 H VAL 30 H VAL 30 8.515 -11.029 -0.816 236 HA VAL 30 HA VAL 30 5.896 -12.077 -1.448 237 HB VAL 30 HB VAL 30 7.100 -11.406 1.281 238 HG11 VAL 30 1HG1 VAL 30 5.339 -12.918 2.195 239 HG12 VAL 30 2HG1 VAL 30 4.656 -13.088 0.576 240 HG13 VAL 30 3HG1 VAL 30 4.637 -11.519 1.379 241 HG21 VAL 30 3HG2 VAL 30 7.579 -13.837 1.457 242 HG22 VAL 30 1HG2 VAL 30 8.419 -13.123 0.076 243 HG23 VAL 30 2HG2 VAL 30 6.963 -14.081 -0.179 244 H LEU 31 H LEU 31 7.234 -9.016 -0.238 245 HA LEU 31 HA LEU 31 4.825 -7.705 0.486 246 HB2 LEU 31 2HB LEU 31 7.415 -6.436 -0.512 247 HB3 LEU 31 1HB LEU 31 6.097 -5.564 0.260 248 HG LEU 31 HG LEU 31 7.914 -7.623 1.554 249 HD11 LEU 31 1HD1 LEU 31 7.652 -4.648 2.080 250 HD12 LEU 31 2HD1 LEU 31 8.989 -5.456 1.255 251 HD13 LEU 31 3HD1 LEU 31 8.691 -5.776 2.960 252 HD21 LEU 31 3HD2 LEU 31 5.552 -6.177 2.800 253 HD22 LEU 31 1HD2 LEU 31 6.720 -7.180 3.664 254 HD23 LEU 31 2HD2 LEU 31 5.663 -7.905 2.459 255 H LYS 32 H LYS 32 6.634 -7.792 -2.586 256 HA LYS 32 HA LYS 32 4.728 -6.117 -3.959 257 HB2 LYS 32 2HB LYS 32 7.207 -6.188 -4.539 258 HB3 LYS 32 1HB LYS 32 6.921 -7.770 -5.265 259 HG2 LYS 32 2HG LYS 32 5.291 -6.752 -6.826 260 HG3 LYS 32 1HG LYS 32 5.565 -5.176 -6.082 261 HD2 LYS 32 2HD LYS 32 7.917 -5.233 -6.848 262 HD3 LYS 32 1HD LYS 32 7.636 -6.809 -7.602 263 HE2 LYS 32 2HE LYS 32 5.954 -5.793 -9.102 264 HE3 LYS 32 1HE LYS 32 6.201 -4.223 -8.333 265 HZ1 LYS 32 3HZ LYS 32 7.410 -4.302 -10.356 266 HZ2 LYS 32 1HZ LYS 32 8.172 -5.752 -9.930 267 HZ3 LYS 32 2HZ LYS 32 8.521 -4.332 -9.084 268 H GLY 33 H GLY 33 5.180 -9.530 -3.416 269 HA2 GLY 33 2HA GLY 33 3.379 -10.615 -5.288 270 HA3 GLY 33 1HA GLY 33 3.706 -11.274 -3.687 271 H TYR 34 H TYR 34 2.860 -8.839 -2.316 272 HA TYR 34 HA TYR 34 -0.030 -9.165 -2.306 273 HB2 TYR 34 2HB TYR 34 1.779 -7.379 -0.628 274 HB3 TYR 34 1HB TYR 34 0.047 -7.591 -0.375 275 HD1 TYR 34 HD2 TYR 34 -0.210 -10.550 -0.767 276 HD2 TYR 34 HD1 TYR 34 2.701 -8.262 1.378 277 HE1 TYR 34 HE2 TYR 34 0.209 -12.464 0.701 278 HE2 TYR 34 HE1 TYR 34 3.111 -10.179 2.856 279 HH TYR 34 HH TYR 34 2.046 -13.304 2.133 280 H LEU 35 H LEU 35 2.376 -6.720 -3.269 281 HA LEU 35 HA LEU 35 0.633 -4.532 -3.662 282 HB2 LEU 35 2HB LEU 35 3.259 -5.205 -5.036 283 HB3 LEU 35 1HB LEU 35 2.398 -3.698 -5.310 284 HG LEU 35 HG LEU 35 3.601 -4.603 -2.658 285 HD11 LEU 35 1HD1 LEU 35 4.470 -2.391 -4.550 286 HD12 LEU 35 2HD1 LEU 35 5.300 -3.928 -4.291 287 HD13 LEU 35 3HD1 LEU 35 5.188 -2.759 -2.978 288 HD21 LEU 35 3HD2 LEU 35 2.114 -2.042 -3.338 289 HD22 LEU 35 1HD2 LEU 35 2.983 -2.352 -1.832 290 HD23 LEU 35 2HD2 LEU 35 1.572 -3.318 -2.245 291 H ASN 36 H ASN 36 1.926 -6.821 -6.074 292 HA ASN 36 HA ASN 36 0.569 -5.790 -8.307 293 HB2 ASN 36 2HB ASN 36 1.667 -8.601 -7.910 294 HB3 ASN 36 1HB ASN 36 1.303 -7.853 -9.465 295 HD21 ASN 36 1HD2 ASN 36 3.833 -8.927 -8.481 296 HD22 ASN 36 2HD2 ASN 36 4.971 -7.636 -8.555 297 H SER 37 H SER 37 -0.403 -8.220 -5.953 298 HA SER 37 HA SER 37 -2.643 -9.209 -7.515 299 HB2 SER 37 2HB SER 37 -1.817 -9.787 -4.637 300 HB3 SER 37 1HB SER 37 -3.061 -10.659 -5.538 301 HG SER 37 HG SER 37 -0.557 -11.260 -5.449 302 H ARG 38 H ARG 38 -2.199 -7.174 -4.612 303 HA ARG 38 HA ARG 38 -5.112 -6.831 -4.334 304 HB2 ARG 38 2HB ARG 38 -2.810 -6.284 -2.423 305 HB3 ARG 38 1HB ARG 38 -4.473 -5.819 -2.074 306 HG2 ARG 38 2HG ARG 38 -3.504 -8.663 -2.545 307 HG3 ARG 38 1HG ARG 38 -3.835 -7.938 -0.967 308 HD2 ARG 38 2HD ARG 38 -6.189 -7.644 -1.563 309 HD3 ARG 38 1HD ARG 38 -5.883 -8.272 -3.186 310 HE ARG 38 HE ARG 38 -5.192 -10.110 -1.057 311 HH11 ARG 38 1HH1 ARG 38 -7.768 -8.989 -3.162 312 HH12 ARG 38 2HH1 ARG 38 -8.704 -10.433 -2.992 313 HH21 ARG 38 1HH2 ARG 38 -6.456 -12.011 -0.830 314 HH22 ARG 38 2HH2 ARG 38 -7.973 -12.140 -1.664 315 H ILE 39 H ILE 39 -2.169 -4.722 -4.240 316 HA ILE 39 HA ILE 39 -3.885 -2.390 -4.047 317 HB ILE 39 HB ILE 39 -0.839 -2.516 -4.114 318 HG12 ILE 39 2HG1 ILE 39 -1.221 -1.809 -1.574 319 HG13 ILE 39 1HG1 ILE 39 -2.810 -2.524 -1.787 320 HG21 ILE 39 1HG2 ILE 39 -0.925 -0.192 -3.268 321 HG22 ILE 39 2HG2 ILE 39 -2.681 -0.198 -3.455 322 HG23 ILE 39 3HG2 ILE 39 -1.639 -0.349 -4.872 323 HD11 ILE 39 3HD1 ILE 39 -0.147 -3.905 -2.048 324 HD12 ILE 39 1HD1 ILE 39 -1.713 -4.665 -2.349 325 HD13 ILE 39 2HD1 ILE 39 -1.313 -4.073 -0.737 326 H ILE 40 H ILE 40 -1.633 -3.686 -6.507 327 HA ILE 40 HA ILE 40 -1.556 -1.522 -8.258 328 HB ILE 40 HB ILE 40 -0.897 -4.423 -8.486 329 HG12 ILE 40 2HG1 ILE 40 1.251 -3.596 -9.372 330 HG13 ILE 40 1HG1 ILE 40 0.607 -1.973 -9.514 331 HG21 ILE 40 1HG2 ILE 40 -2.224 -4.287 -10.523 332 HG22 ILE 40 2HG2 ILE 40 -0.515 -4.415 -10.932 333 HG23 ILE 40 3HG2 ILE 40 -1.331 -2.854 -11.053 334 HD11 ILE 40 3HD1 ILE 40 2.115 -2.163 -7.653 335 HD12 ILE 40 1HD1 ILE 40 1.147 -3.458 -6.954 336 HD13 ILE 40 2HD1 ILE 40 0.483 -1.827 -7.069 337 HA PRO 41 HA PRO 41 -5.526 -3.082 -10.597 338 HB2 PRO 41 2HB PRO 41 -7.171 -4.941 -9.500 339 HB3 PRO 41 1HB PRO 41 -5.741 -5.409 -10.438 340 HG2 PRO 41 2HG PRO 41 -6.038 -5.179 -7.435 341 HG3 PRO 41 1HG PRO 41 -5.381 -6.530 -8.387 342 HD2 PRO 41 2HD PRO 41 -3.753 -4.702 -7.233 343 HD3 PRO 41 1HD PRO 41 -3.355 -5.427 -8.806 344 H SER 42 H SER 42 -5.363 -2.253 -7.253 345 HA SER 42 HA SER 42 -8.123 -1.167 -7.210 346 HB2 SER 42 2HB SER 42 -6.176 -1.637 -4.905 347 HB3 SER 42 1HB SER 42 -7.832 -1.049 -4.738 348 HG SER 42 HG SER 42 -6.972 -3.584 -5.679 349 H LEU 43 H LEU 43 -5.022 -0.128 -5.764 350 HA LEU 43 HA LEU 43 -5.716 2.700 -6.123 351 HB2 LEU 43 2HB LEU 43 -3.486 1.434 -4.491 352 HB3 LEU 43 1HB LEU 43 -4.000 3.114 -4.421 353 HG LEU 43 HG LEU 43 -5.691 0.733 -3.546 354 HD11 LEU 43 1HD1 LEU 43 -5.297 1.478 -1.249 355 HD12 LEU 43 2HD1 LEU 43 -4.206 2.742 -1.824 356 HD13 LEU 43 3HD1 LEU 43 -3.785 1.041 -2.044 357 HD21 LEU 43 3HD2 LEU 43 -7.213 2.407 -2.585 358 HD22 LEU 43 1HD2 LEU 43 -7.075 2.594 -4.331 359 HD23 LEU 43 2HD2 LEU 43 -6.228 3.711 -3.255 360 H GLY 44 H GLY 44 -3.815 0.374 -7.679 361 HA2 GLY 44 2HA GLY 44 -1.339 1.640 -8.107 362 HA3 GLY 44 1HA GLY 44 -2.034 0.376 -9.113 363 H ASN 45 H ASN 45 -4.243 1.559 -10.157 364 HA ASN 45 HA ASN 45 -3.225 3.231 -12.243 365 HB2 ASN 45 2HB ASN 45 -6.113 2.556 -11.540 366 HB3 ASN 45 1HB ASN 45 -5.570 3.242 -13.069 367 HD21 ASN 45 1HD2 ASN 45 -4.496 1.901 -14.564 368 HD22 ASN 45 2HD2 ASN 45 -4.493 0.179 -14.405 369 H ILE 46 H ILE 46 -4.641 3.875 -9.165 370 HA ILE 46 HA ILE 46 -5.690 6.514 -9.693 371 HB ILE 46 HB ILE 46 -5.130 5.104 -7.035 372 HG12 ILE 46 2HG1 ILE 46 -7.718 5.216 -8.657 373 HG13 ILE 46 1HG1 ILE 46 -6.689 3.801 -8.448 374 HG21 ILE 46 1HG2 ILE 46 -6.922 7.508 -7.556 375 HG22 ILE 46 2HG2 ILE 46 -5.375 7.531 -6.707 376 HG23 ILE 46 3HG2 ILE 46 -6.745 6.665 -6.013 377 HD11 ILE 46 3HD1 ILE 46 -8.643 3.654 -7.050 378 HD12 ILE 46 1HD1 ILE 46 -8.269 5.197 -6.291 379 HD13 ILE 46 2HD1 ILE 46 -7.206 3.810 -6.040 380 H LYS 47 H LYS 47 -4.799 8.495 -8.962 381 HA LYS 47 HA LYS 47 -1.969 8.766 -8.981 382 HB2 LYS 47 2HB LYS 47 -4.063 10.761 -8.046 383 HB3 LYS 47 1HB LYS 47 -2.395 11.138 -8.431 384 HG2 LYS 47 2HG LYS 47 -4.437 10.123 -10.438 385 HG3 LYS 47 1HG LYS 47 -4.056 11.818 -10.173 386 HD2 LYS 47 2HD LYS 47 -2.740 11.374 -12.033 387 HD3 LYS 47 1HD LYS 47 -1.574 11.057 -10.747 388 HE2 LYS 47 2HE LYS 47 -2.056 8.631 -10.947 389 HE3 LYS 47 1HE LYS 47 -3.212 8.969 -12.236 390 HZ1 LYS 47 3HZ LYS 47 -0.307 9.513 -12.295 391 HZ2 LYS 47 1HZ LYS 47 -1.396 9.909 -13.521 392 HZ3 LYS 47 2HZ LYS 47 -1.122 8.289 -13.134 393 H LEU 48 H LEU 48 -0.543 9.054 -7.352 394 HA LEU 48 HA LEU 48 -0.695 7.832 -4.897 395 HB2 LEU 48 2HB LEU 48 1.401 8.400 -6.002 396 HB3 LEU 48 1HB LEU 48 1.054 10.111 -5.877 397 HG LEU 48 HG LEU 48 1.344 9.992 -3.401 398 HD11 LEU 48 1HD1 LEU 48 2.167 7.115 -3.877 399 HD12 LEU 48 2HD1 LEU 48 0.725 7.664 -3.019 400 HD13 LEU 48 3HD1 LEU 48 2.321 8.003 -2.356 401 HD21 LEU 48 3HD2 LEU 48 3.723 8.945 -4.970 402 HD22 LEU 48 1HD2 LEU 48 3.785 9.745 -3.396 403 HD23 LEU 48 2HD2 LEU 48 3.242 10.638 -4.814 404 H ALA 49 H ALA 49 -1.220 11.264 -5.629 405 HA ALA 49 HA ALA 49 -1.641 12.138 -2.930 406 HB1 ALA 49 3HB ALA 49 -2.270 14.288 -3.938 407 HB2 ALA 49 1HB ALA 49 -2.343 13.537 -5.533 408 HB3 ALA 49 2HB ALA 49 -0.801 13.657 -4.686 409 H LYS 50 H LYS 50 -3.730 10.951 -5.492 410 HA LYS 50 HA LYS 50 -6.221 11.902 -4.338 411 HB2 LYS 50 2HB LYS 50 -5.650 10.065 -6.695 412 HB3 LYS 50 1HB LYS 50 -7.272 10.553 -6.204 413 HG2 LYS 50 2HG LYS 50 -5.067 12.417 -7.144 414 HG3 LYS 50 1HG LYS 50 -6.451 11.879 -8.101 415 HD2 LYS 50 2HD LYS 50 -7.968 12.993 -6.403 416 HD3 LYS 50 1HD LYS 50 -6.522 13.633 -5.610 417 HE2 LYS 50 2HE LYS 50 -7.388 14.207 -8.466 418 HE3 LYS 50 1HE LYS 50 -7.540 15.310 -7.096 419 HZ1 LYS 50 3HZ LYS 50 -5.110 15.264 -6.891 420 HZ2 LYS 50 1HZ LYS 50 -5.612 15.866 -8.390 421 HZ3 LYS 50 2HZ LYS 50 -5.015 14.291 -8.266 422 H LEU 51 H LEU 51 -4.247 9.374 -3.423 423 HA LEU 51 HA LEU 51 -6.183 7.451 -2.628 424 HB2 LEU 51 2HB LEU 51 -3.363 8.077 -1.806 425 HB3 LEU 51 1HB LEU 51 -4.327 7.173 -0.654 426 HG LEU 51 HG LEU 51 -4.763 5.434 -2.394 427 HD11 LEU 51 1HD1 LEU 51 -2.780 6.972 -4.094 428 HD12 LEU 51 2HD1 LEU 51 -4.501 6.752 -4.423 429 HD13 LEU 51 3HD1 LEU 51 -3.420 5.362 -4.445 430 HD21 LEU 51 3HD2 LEU 51 -2.556 4.395 -2.270 431 HD22 LEU 51 1HD2 LEU 51 -2.972 5.150 -0.736 432 HD23 LEU 51 2HD2 LEU 51 -1.823 5.938 -1.823 433 H THR 52 H THR 52 -7.965 8.380 -1.814 434 HA THR 52 HA THR 52 -7.885 10.095 0.546 435 HB THR 52 HB THR 52 -9.530 10.698 -1.144 436 HG1 THR 52 HG1 THR 52 -11.275 10.862 0.208 437 HG21 THR 52 3HG2 THR 52 -9.853 8.473 -2.206 438 HG22 THR 52 1HG2 THR 52 -11.391 9.237 -1.799 439 HG23 THR 52 2HG2 THR 52 -10.758 7.937 -0.786 440 H SER 53 H SER 53 -9.329 9.513 2.366 441 HA SER 53 HA SER 53 -8.648 7.037 3.564 442 HB2 SER 53 2HB SER 53 -10.261 7.855 5.373 443 HB3 SER 53 1HB SER 53 -8.956 8.970 4.961 444 HG SER 53 HG SER 53 -10.354 10.315 4.076 445 H LEU 54 H LEU 54 -11.385 8.063 1.658 446 HA LEU 54 HA LEU 54 -13.237 6.005 2.198 447 HB2 LEU 54 2HB LEU 54 -13.811 8.036 0.895 448 HB3 LEU 54 1HB LEU 54 -12.738 7.522 -0.395 449 HG LEU 54 HG LEU 54 -14.205 5.583 -0.880 450 HD11 LEU 54 1HD1 LEU 54 -15.106 5.141 1.336 451 HD12 LEU 54 2HD1 LEU 54 -16.413 5.343 0.173 452 HD13 LEU 54 3HD1 LEU 54 -16.025 6.649 1.299 453 HD21 LEU 54 3HD2 LEU 54 -14.607 7.667 -2.107 454 HD22 LEU 54 1HD2 LEU 54 -15.725 8.218 -0.853 455 HD23 LEU 54 2HD2 LEU 54 -16.118 6.805 -1.836 456 H HIS 55 H HIS 55 -10.493 6.181 -0.081 457 HA HIS 55 HA HIS 55 -10.856 3.670 -1.384 458 HB2 HIS 55 2HB HIS 55 -8.352 5.368 -0.999 459 HB3 HIS 55 1HB HIS 55 -8.365 3.900 -1.959 460 HD1 HIS 55 HD1 HIS 55 -7.557 6.493 -3.256 461 HD2 HIS 55 HD2 HIS 55 -11.470 5.104 -3.212 462 HE1 HIS 55 HE1 HIS 55 -8.677 7.611 -5.197 463 HE2 HIS 55 HE2 HIS 55 -11.095 6.903 -5.030 464 H MET 56 H MET 56 -9.274 4.638 1.577 465 HA MET 56 HA MET 56 -7.802 2.256 2.128 466 HB2 MET 56 2HB MET 56 -8.798 4.490 3.937 467 HB3 MET 56 1HB MET 56 -7.675 3.240 4.445 468 HG2 MET 56 2HG MET 56 -7.093 5.177 2.203 469 HG3 MET 56 1HG MET 56 -6.651 5.457 3.881 470 HE1 MET 56 3HE MET 56 -5.501 4.018 0.521 471 HE2 MET 56 1HE MET 56 -6.264 2.545 1.111 472 HE3 MET 56 2HE MET 56 -4.509 2.621 0.949 473 H GLN 57 H GLN 57 -10.948 3.495 3.235 474 HA GLN 57 HA GLN 57 -11.637 1.334 4.921 475 HB2 GLN 57 2HB GLN 57 -12.767 3.547 5.018 476 HB3 GLN 57 1HB GLN 57 -13.480 3.262 3.435 477 HG2 GLN 57 2HG GLN 57 -15.089 2.895 5.261 478 HG3 GLN 57 1HG GLN 57 -14.829 1.431 4.320 479 HE21 GLN 57 1HE2 GLN 57 -13.805 -0.345 5.291 480 HE22 GLN 57 2HE2 GLN 57 -13.558 -0.452 6.998 481 H ASN 58 H ASN 58 -12.450 2.045 1.530 482 HA ASN 58 HA ASN 58 -14.004 -0.226 0.922 483 HB2 ASN 58 2HB ASN 58 -12.289 1.534 -0.885 484 HB3 ASN 58 1HB ASN 58 -13.388 0.299 -1.495 485 HD21 ASN 58 1HD2 ASN 58 -13.378 3.230 -1.867 486 HD22 ASN 58 2HD2 ASN 58 -14.939 3.763 -1.365 487 H TYR 59 H TYR 59 -10.514 0.269 0.938 488 HA TYR 59 HA TYR 59 -9.738 -2.051 -0.481 489 HB2 TYR 59 2HB TYR 59 -8.178 -0.165 -0.070 490 HB3 TYR 59 1HB TYR 59 -8.189 -0.516 1.657 491 HD1 TYR 59 HD2 TYR 59 -7.270 -1.982 -1.675 492 HD2 TYR 59 HD1 TYR 59 -6.634 -2.113 2.553 493 HE1 TYR 59 HE2 TYR 59 -5.417 -3.564 -2.000 494 HE2 TYR 59 HE1 TYR 59 -4.788 -3.694 2.229 495 HH TYR 59 HH TYR 59 -3.442 -4.346 -0.822 496 H VAL 60 H VAL 60 -10.135 -1.434 3.013 497 HA VAL 60 HA VAL 60 -9.429 -4.116 3.804 498 HB VAL 60 HB VAL 60 -10.840 -1.972 5.463 499 HG11 VAL 60 1HG1 VAL 60 -9.927 -3.176 7.422 500 HG12 VAL 60 2HG1 VAL 60 -9.226 -4.396 6.356 501 HG13 VAL 60 3HG1 VAL 60 -10.977 -4.231 6.472 502 HG21 VAL 60 3HG2 VAL 60 -8.712 -1.104 4.553 503 HG22 VAL 60 1HG2 VAL 60 -7.855 -2.512 5.185 504 HG23 VAL 60 2HG2 VAL 60 -8.591 -1.354 6.295 505 H ASN 61 H ASN 61 -12.382 -2.488 2.907 506 HA ASN 61 HA ASN 61 -14.306 -4.278 3.939 507 HB2 ASN 61 2HB ASN 61 -14.443 -2.477 1.487 508 HB3 ASN 61 1HB ASN 61 -15.819 -3.404 2.078 509 HD21 ASN 61 1HD2 ASN 61 -15.681 -0.559 1.806 510 HD22 ASN 61 2HD2 ASN 61 -15.881 0.118 3.384 511 H SER 62 H SER 62 -12.587 -4.217 0.809 512 HA SER 62 HA SER 62 -13.891 -6.489 -0.302 513 HB2 SER 62 2HB SER 62 -11.955 -6.476 -1.959 514 HB3 SER 62 1HB SER 62 -12.827 -4.952 -1.826 515 HG SER 62 HG SER 62 -10.428 -5.494 -0.400 516 H LEU 63 H LEU 63 -11.033 -6.096 1.741 517 HA LEU 63 HA LEU 63 -9.923 -8.699 1.466 518 HB2 LEU 63 2HB LEU 63 -9.717 -6.835 3.861 519 HB3 LEU 63 1HB LEU 63 -8.651 -8.187 3.509 520 HG LEU 63 HG LEU 63 -8.879 -5.637 1.878 521 HD11 LEU 63 1HD1 LEU 63 -6.654 -6.575 3.704 522 HD12 LEU 63 2HD1 LEU 63 -7.784 -5.253 4.011 523 HD13 LEU 63 3HD1 LEU 63 -6.628 -5.128 2.691 524 HD21 LEU 63 3HD2 LEU 63 -8.367 -7.536 0.417 525 HD22 LEU 63 1HD2 LEU 63 -7.013 -7.995 1.452 526 HD23 LEU 63 2HD2 LEU 63 -6.975 -6.470 0.564 527 H ARG 64 H ARG 64 -12.411 -7.368 3.605 528 HA ARG 64 HA ARG 64 -12.700 -9.635 5.312 529 HB2 ARG 64 2HB ARG 64 -13.556 -7.342 5.882 530 HB3 ARG 64 1HB ARG 64 -14.793 -7.516 4.640 531 HG2 ARG 64 2HG ARG 64 -15.659 -9.537 5.888 532 HG3 ARG 64 1HG ARG 64 -14.502 -9.178 7.171 533 HD2 ARG 64 2HD ARG 64 -16.688 -8.326 7.794 534 HD3 ARG 64 1HD ARG 64 -15.609 -6.967 7.494 535 HE ARG 64 HE ARG 64 -16.877 -6.343 5.685 536 HH11 ARG 64 1HH1 ARG 64 -17.944 -9.547 6.645 537 HH12 ARG 64 2HH1 ARG 64 -19.381 -9.482 5.677 538 HH21 ARG 64 1HH2 ARG 64 -18.764 -6.264 4.453 539 HH22 ARG 64 2HH2 ARG 64 -19.845 -7.620 4.445 540 H ASP 65 H ASP 65 -14.290 -8.616 2.295 541 HA ASP 65 HA ASP 65 -16.079 -10.851 2.084 542 HB2 ASP 65 2HB ASP 65 -15.150 -8.711 0.144 543 HB3 ASP 65 1HB ASP 65 -16.160 -10.039 -0.416 544 H GLU 66 H GLU 66 -12.732 -10.349 1.204 545 HA GLU 66 HA GLU 66 -12.418 -12.718 -0.406 546 HB2 GLU 66 2HB GLU 66 -10.382 -11.059 1.160 547 HB3 GLU 66 1HB GLU 66 -9.949 -12.404 0.110 548 HG2 GLU 66 2HG GLU 66 -11.343 -9.872 -0.789 549 HG3 GLU 66 1HG GLU 66 -9.619 -10.190 -0.945 550 H GLY 67 H GLY 67 -12.690 -12.044 2.970 551 HA2 GLY 67 2HA GLY 67 -12.774 -13.387 4.821 552 HA3 GLY 67 1HA GLY 67 -12.789 -14.775 3.744 553 H LEU 68 H LEU 68 -10.274 -12.313 3.873 554 HA LEU 68 HA LEU 68 -8.159 -14.219 4.066 555 HB2 LEU 68 2HB LEU 68 -8.035 -11.199 4.483 556 HB3 LEU 68 1HB LEU 68 -6.653 -12.259 4.248 557 HG LEU 68 HG LEU 68 -8.770 -11.549 2.192 558 HD11 LEU 68 1HD1 LEU 68 -6.918 -10.519 0.962 559 HD12 LEU 68 2HD1 LEU 68 -5.795 -10.951 2.256 560 HD13 LEU 68 3HD1 LEU 68 -7.098 -9.798 2.561 561 HD21 LEU 68 3HD2 LEU 68 -6.464 -13.503 1.909 562 HD22 LEU 68 1HD2 LEU 68 -7.509 -12.947 0.598 563 HD23 LEU 68 2HD2 LEU 68 -8.183 -13.904 1.914 564 H LYS 69 H LYS 69 -6.538 -14.301 5.713 565 HA LYS 69 HA LYS 69 -7.502 -14.202 8.427 566 HB2 LYS 69 2HB LYS 69 -5.285 -15.048 9.040 567 HB3 LYS 69 1HB LYS 69 -5.936 -15.971 7.689 568 HG2 LYS 69 2HG LYS 69 -4.510 -14.607 6.139 569 HG3 LYS 69 1HG LYS 69 -3.805 -13.814 7.549 570 HD2 LYS 69 2HD LYS 69 -2.302 -15.559 6.819 571 HD3 LYS 69 1HD LYS 69 -3.016 -16.043 8.360 572 HE2 LYS 69 2HE LYS 69 -4.650 -17.471 7.098 573 HE3 LYS 69 1HE LYS 69 -3.823 -17.041 5.600 574 HZ1 LYS 69 3HZ LYS 69 -3.084 -19.157 6.430 575 HZ2 LYS 69 1HZ LYS 69 -2.632 -18.469 7.904 576 HZ3 LYS 69 2HZ LYS 69 -1.811 -18.049 6.489 577 H ARG 70 H ARG 70 -7.040 -12.648 9.939 578 HA ARG 70 HA ARG 70 -6.568 -10.010 9.175 579 HB2 ARG 70 2HB ARG 70 -6.475 -9.456 11.552 580 HB3 ARG 70 1HB ARG 70 -7.742 -10.644 11.259 581 HG2 ARG 70 2HG ARG 70 -6.398 -12.421 12.183 582 HG3 ARG 70 1HG ARG 70 -4.983 -11.370 12.293 583 HD2 ARG 70 2HD ARG 70 -6.229 -9.942 13.925 584 HD3 ARG 70 1HD ARG 70 -7.562 -11.098 13.867 585 HE ARG 70 HE ARG 70 -6.194 -12.716 14.943 586 HH11 ARG 70 1HH1 ARG 70 -4.568 -9.607 14.685 587 HH12 ARG 70 2HH1 ARG 70 -3.597 -9.863 16.098 588 HH21 ARG 70 1HH2 ARG 70 -4.832 -13.067 16.733 589 HH22 ARG 70 2HH2 ARG 70 -3.716 -11.834 17.226 590 H GLY 71 H GLY 71 -4.227 -12.488 10.031 591 HA2 GLY 71 2HA GLY 71 -1.924 -10.978 10.454 592 HA3 GLY 71 1HA GLY 71 -1.961 -12.566 9.697 593 H THR 72 H THR 72 -3.124 -12.248 7.347 594 HA THR 72 HA THR 72 -1.185 -11.038 5.689 595 HB THR 72 HB THR 72 -4.009 -11.908 4.911 596 HG1 THR 72 HG1 THR 72 -1.865 -13.343 5.674 597 HG21 THR 72 3HG2 THR 72 -2.944 -10.481 3.170 598 HG22 THR 72 1HG2 THR 72 -3.099 -12.150 2.623 599 HG23 THR 72 2HG2 THR 72 -1.531 -11.538 3.157 600 H ILE 73 H ILE 73 -4.483 -10.049 6.608 601 HA ILE 73 HA ILE 73 -4.756 -7.735 5.056 602 HB ILE 73 HB ILE 73 -5.924 -8.345 7.810 603 HG12 ILE 73 2HG1 ILE 73 -7.140 -8.659 5.026 604 HG13 ILE 73 1HG1 ILE 73 -6.548 -9.976 6.034 605 HG21 ILE 73 1HG2 ILE 73 -6.802 -6.176 5.861 606 HG22 ILE 73 2HG2 ILE 73 -6.030 -5.916 7.424 607 HG23 ILE 73 3HG2 ILE 73 -7.644 -6.619 7.349 608 HD11 ILE 73 3HD1 ILE 73 -8.312 -9.480 7.676 609 HD12 ILE 73 1HD1 ILE 73 -8.959 -9.867 6.082 610 HD13 ILE 73 2HD1 ILE 73 -8.911 -8.191 6.629 611 H GLU 74 H GLU 74 -3.487 -8.136 8.345 612 HA GLU 74 HA GLU 74 -2.979 -5.445 8.954 613 HB2 GLU 74 2HB GLU 74 -3.030 -7.147 10.694 614 HB3 GLU 74 1HB GLU 74 -1.664 -7.992 9.975 615 HG2 GLU 74 2HG GLU 74 -0.143 -6.234 10.597 616 HG3 GLU 74 1HG GLU 74 -1.473 -5.179 11.078 617 H LYS 75 H LYS 75 -0.915 -7.892 7.377 618 HA LYS 75 HA LYS 75 1.486 -6.349 7.425 619 HB2 LYS 75 2HB LYS 75 0.716 -8.679 5.634 620 HB3 LYS 75 1HB LYS 75 2.329 -7.973 5.708 621 HG2 LYS 75 2HG LYS 75 2.428 -8.611 8.141 622 HG3 LYS 75 1HG LYS 75 0.886 -9.445 7.939 623 HD2 LYS 75 2HD LYS 75 3.510 -10.087 6.538 624 HD3 LYS 75 1HD LYS 75 2.710 -11.061 7.774 625 HE2 LYS 75 2HE LYS 75 0.844 -11.501 6.232 626 HE3 LYS 75 1HE LYS 75 1.593 -10.478 5.006 627 HZ1 LYS 75 3HZ LYS 75 2.027 -12.761 4.553 628 HZ2 LYS 75 1HZ LYS 75 2.686 -12.998 6.087 629 HZ3 LYS 75 2HZ LYS 75 3.476 -12.000 4.976 630 H ILE 76 H ILE 76 -1.044 -6.824 4.963 631 HA ILE 76 HA ILE 76 0.373 -5.360 2.929 632 HB ILE 76 HB ILE 76 -1.592 -5.621 1.519 633 HG12 ILE 76 2HG1 ILE 76 -3.044 -6.597 4.027 634 HG13 ILE 76 1HG1 ILE 76 -3.440 -5.174 3.072 635 HG21 ILE 76 1HG2 ILE 76 -1.752 -8.073 1.474 636 HG22 ILE 76 2HG2 ILE 76 -1.110 -8.166 3.116 637 HG23 ILE 76 3HG2 ILE 76 -0.096 -7.566 1.804 638 HD11 ILE 76 3HD1 ILE 76 -5.010 -6.973 2.674 639 HD12 ILE 76 1HD1 ILE 76 -3.711 -8.049 2.179 640 HD13 ILE 76 2HD1 ILE 76 -4.103 -6.629 1.204 641 H ILE 77 H ILE 77 -2.051 -4.534 5.348 642 HA ILE 77 HA ILE 77 -2.466 -1.821 4.638 643 HB ILE 77 HB ILE 77 -2.532 -3.213 7.353 644 HG12 ILE 77 2HG1 ILE 77 -4.315 -4.046 5.970 645 HG13 ILE 77 1HG1 ILE 77 -5.066 -2.913 7.081 646 HG21 ILE 77 1HG2 ILE 77 -3.733 -1.240 8.262 647 HG22 ILE 77 2HG2 ILE 77 -3.414 -0.366 6.763 648 HG23 ILE 77 3HG2 ILE 77 -2.072 -0.861 7.800 649 HD11 ILE 77 3HD1 ILE 77 -6.009 -2.657 4.906 650 HD12 ILE 77 1HD1 ILE 77 -4.414 -2.471 4.177 651 HD13 ILE 77 2HD1 ILE 77 -5.038 -1.231 5.264 652 H LYS 78 H LYS 78 0.049 -3.432 6.596 653 HA LYS 78 HA LYS 78 1.460 -1.089 7.384 654 HB2 LYS 78 2HB LYS 78 2.442 -3.961 7.140 655 HB3 LYS 78 1HB LYS 78 3.421 -2.655 7.795 656 HG2 LYS 78 2HG LYS 78 0.883 -3.814 8.967 657 HG3 LYS 78 1HG LYS 78 2.521 -3.936 9.612 658 HD2 LYS 78 2HD LYS 78 2.452 -1.360 9.820 659 HD3 LYS 78 1HD LYS 78 0.718 -1.491 9.500 660 HE2 LYS 78 2HE LYS 78 2.265 -2.626 11.852 661 HE3 LYS 78 1HE LYS 78 1.012 -1.384 11.878 662 HZ1 LYS 78 3HZ LYS 78 -0.578 -3.070 11.146 663 HZ2 LYS 78 1HZ LYS 78 0.140 -3.476 12.623 664 HZ3 LYS 78 2HZ LYS 78 0.637 -4.246 11.205 665 H VAL 79 H VAL 79 1.612 -3.111 4.482 666 HA VAL 79 HA VAL 79 4.040 -2.063 3.402 667 HB VAL 79 HB VAL 79 1.708 -3.424 1.961 668 HG11 VAL 79 1HG1 VAL 79 3.055 -2.132 0.352 669 HG12 VAL 79 2HG1 VAL 79 3.320 -3.859 0.116 670 HG13 VAL 79 3HG1 VAL 79 4.532 -2.891 0.955 671 HG21 VAL 79 3HG2 VAL 79 3.116 -5.461 2.038 672 HG22 VAL 79 1HG2 VAL 79 2.761 -4.873 3.663 673 HG23 VAL 79 2HG2 VAL 79 4.346 -4.584 2.950 674 H ILE 80 H ILE 80 0.599 -1.239 2.947 675 HA ILE 80 HA ILE 80 0.930 0.923 1.136 676 HB ILE 80 HB ILE 80 -1.306 0.431 3.161 677 HG12 ILE 80 2HG1 ILE 80 -1.162 -0.201 0.172 678 HG13 ILE 80 1HG1 ILE 80 -1.074 -1.380 1.474 679 HG21 ILE 80 1HG2 ILE 80 -1.299 2.813 2.490 680 HG22 ILE 80 2HG2 ILE 80 -2.703 1.982 1.824 681 HG23 ILE 80 3HG2 ILE 80 -1.322 2.349 0.788 682 HD11 ILE 80 3HD1 ILE 80 -3.387 -0.847 2.109 683 HD12 ILE 80 1HD1 ILE 80 -3.261 -1.383 0.433 684 HD13 ILE 80 2HD1 ILE 80 -3.470 0.328 0.793 685 H ARG 81 H ARG 81 0.948 0.735 4.673 686 HA ARG 81 HA ARG 81 1.202 3.492 5.251 687 HB2 ARG 81 2HB ARG 81 2.081 1.041 6.821 688 HB3 ARG 81 1HB ARG 81 2.290 2.682 7.431 689 HG2 ARG 81 2HG ARG 81 -0.156 3.035 7.330 690 HG3 ARG 81 1HG ARG 81 -0.371 1.382 6.745 691 HD2 ARG 81 2HD ARG 81 0.476 0.474 8.826 692 HD3 ARG 81 1HD ARG 81 0.939 2.083 9.395 693 HE ARG 81 HE ARG 81 -1.900 1.673 8.830 694 HH11 ARG 81 1HH1 ARG 81 0.613 1.798 11.289 695 HH12 ARG 81 2HH1 ARG 81 -0.513 2.016 12.587 696 HH21 ARG 81 1HH2 ARG 81 -3.336 1.973 10.565 697 HH22 ARG 81 2HH2 ARG 81 -2.733 2.090 12.185 698 H ASN 82 H ASN 82 3.692 0.971 4.697 699 HA ASN 82 HA ASN 82 5.954 2.527 5.363 700 HB2 ASN 82 2HB ASN 82 5.728 0.040 3.614 701 HB3 ASN 82 1HB ASN 82 7.270 0.745 4.090 702 HD21 ASN 82 1HD2 ASN 82 6.162 -1.920 4.660 703 HD22 ASN 82 2HD2 ASN 82 6.164 -2.075 6.379 704 H SER 83 H SER 83 4.292 1.956 2.292 705 HA SER 83 HA SER 83 6.163 3.326 0.621 706 HB2 SER 83 2HB SER 83 4.249 3.230 -1.055 707 HB3 SER 83 1HB SER 83 4.715 1.670 -0.372 708 HG SER 83 HG SER 83 2.606 1.632 -0.094 709 H LEU 84 H LEU 84 2.976 4.254 1.997 710 HA LEU 84 HA LEU 84 3.011 6.884 0.891 711 HB2 LEU 84 2HB LEU 84 1.317 5.617 3.054 712 HB3 LEU 84 1HB LEU 84 1.099 7.280 2.544 713 HG LEU 84 HG LEU 84 0.755 4.841 0.756 714 HD11 LEU 84 1HD1 LEU 84 -1.320 6.707 1.951 715 HD12 LEU 84 2HD1 LEU 84 -1.046 5.018 2.375 716 HD13 LEU 84 3HD1 LEU 84 -1.638 5.428 0.773 717 HD21 LEU 84 3HD2 LEU 84 1.576 6.765 -0.527 718 HD22 LEU 84 1HD2 LEU 84 0.288 7.782 0.128 719 HD23 LEU 84 2HD2 LEU 84 -0.101 6.421 -0.929 720 H GLU 85 H GLU 85 4.276 5.607 3.909 721 HA GLU 85 HA GLU 85 4.803 8.079 5.249 722 HB2 GLU 85 2HB GLU 85 6.013 5.292 5.485 723 HB3 GLU 85 1HB GLU 85 6.657 6.630 6.429 724 HG2 GLU 85 2HG GLU 85 3.744 5.792 6.557 725 HG3 GLU 85 1HG GLU 85 4.986 5.073 7.576 726 H HIS 86 H HIS 86 6.572 6.015 2.994 727 HA HIS 86 HA HIS 86 8.984 7.549 2.900 728 HB2 HIS 86 2HB HIS 86 8.868 5.109 2.365 729 HB3 HIS 86 1HB HIS 86 7.903 5.478 0.943 730 HD1 HIS 86 HD1 HIS 86 11.420 5.727 2.285 731 HD2 HIS 86 HD2 HIS 86 9.373 6.286 -1.285 732 HE1 HIS 86 HE1 HIS 86 13.188 5.953 0.517 733 HE2 HIS 86 HE2 HIS 86 11.924 6.379 -1.611 734 H ALA 87 H ALA 87 5.892 7.740 1.277 735 HA ALA 87 HA ALA 87 6.706 9.475 -0.869 736 HB1 ALA 87 3HB ALA 87 3.937 8.985 0.290 737 HB2 ALA 87 1HB ALA 87 4.673 8.088 -1.039 738 HB3 ALA 87 2HB ALA 87 4.290 9.799 -1.236 739 H ILE 88 H ILE 88 5.473 9.957 2.439 740 HA ILE 88 HA ILE 88 5.363 12.813 2.383 741 HB ILE 88 HB ILE 88 5.847 11.001 4.795 742 HG12 ILE 88 2HG1 ILE 88 3.211 12.156 3.760 743 HG13 ILE 88 1HG1 ILE 88 3.710 10.477 3.603 744 HG21 ILE 88 1HG2 ILE 88 5.012 12.900 6.165 745 HG22 ILE 88 2HG2 ILE 88 4.893 13.894 4.713 746 HG23 ILE 88 3HG2 ILE 88 6.472 13.344 5.278 747 HD11 ILE 88 3HD1 ILE 88 2.102 10.748 5.393 748 HD12 ILE 88 1HD1 ILE 88 3.148 11.916 6.201 749 HD13 ILE 88 2HD1 ILE 88 3.658 10.232 6.043 750 H ASP 89 H ASP 89 7.881 10.471 3.151 751 HA ASP 89 HA ASP 89 10.006 12.144 3.891 752 HB2 ASP 89 2HB ASP 89 10.253 9.812 4.275 753 HB3 ASP 89 1HB ASP 89 9.820 9.397 2.628 754 H LEU 90 H LEU 90 9.036 10.977 0.668 755 HA LEU 90 HA LEU 90 11.040 12.513 -0.743 756 HB2 LEU 90 2HB LEU 90 8.616 11.004 -1.798 757 HB3 LEU 90 1HB LEU 90 9.910 11.664 -2.786 758 HG LEU 90 HG LEU 90 10.152 9.362 -0.805 759 HD11 LEU 90 1HD1 LEU 90 8.999 8.745 -2.866 760 HD12 LEU 90 2HD1 LEU 90 10.574 7.965 -2.759 761 HD13 LEU 90 3HD1 LEU 90 10.350 9.352 -3.830 762 HD21 LEU 90 3HD2 LEU 90 12.331 10.583 -2.528 763 HD22 LEU 90 1HD2 LEU 90 12.477 9.104 -1.570 764 HD23 LEU 90 2HD2 LEU 90 12.222 10.650 -0.767 765 H GLU 91 H GLU 91 8.124 13.320 0.703 766 HA GLU 91 HA GLU 91 6.821 15.146 0.800 767 HB2 GLU 91 2HB GLU 91 9.020 16.462 -0.843 768 HB3 GLU 91 1HB GLU 91 7.720 17.328 -0.025 769 HG2 GLU 91 2HG GLU 91 8.545 16.454 2.158 770 HG3 GLU 91 1HG GLU 91 9.882 15.666 1.314 771 H LEU 92 H LEU 92 6.687 13.226 -1.506 772 HA LEU 92 HA LEU 92 5.422 14.554 -3.709 773 HB2 LEU 92 2HB LEU 92 5.116 11.679 -2.736 774 HB3 LEU 92 1HB LEU 92 4.683 12.279 -4.332 775 HG LEU 92 HG LEU 92 7.522 12.200 -3.233 776 HD11 LEU 92 1HD1 LEU 92 6.186 10.305 -5.185 777 HD12 LEU 92 2HD1 LEU 92 6.679 9.936 -3.532 778 HD13 LEU 92 3HD1 LEU 92 7.898 10.304 -4.749 779 HD21 LEU 92 3HD2 LEU 92 7.216 13.968 -4.907 780 HD22 LEU 92 1HD2 LEU 92 6.534 12.803 -6.045 781 HD23 LEU 92 2HD2 LEU 92 8.224 12.672 -5.546 782 H ILE 93 H ILE 93 4.494 13.401 -0.595 783 HA ILE 93 HA ILE 93 2.007 14.952 -0.663 784 HB ILE 93 HB ILE 93 0.814 13.246 0.772 785 HG12 ILE 93 2HG1 ILE 93 3.073 11.368 -0.060 786 HG13 ILE 93 1HG1 ILE 93 2.798 11.974 1.566 787 HG21 ILE 93 1HG2 ILE 93 1.497 12.208 -2.001 788 HG22 ILE 93 2HG2 ILE 93 0.258 13.405 -1.621 789 HG23 ILE 93 3HG2 ILE 93 0.085 11.747 -1.044 790 HD11 ILE 93 3HD1 ILE 93 1.003 10.103 0.023 791 HD12 ILE 93 1HD1 ILE 93 0.665 10.735 1.637 792 HD13 ILE 93 2HD1 ILE 93 2.059 9.687 1.371 793 H THR 94 H THR 94 1.434 15.565 1.595 794 HA THR 94 HA THR 94 3.782 15.747 3.390 795 HB THR 94 HB THR 94 2.497 17.707 4.433 796 HG1 THR 94 HG1 THR 94 0.437 17.075 3.481 797 HG21 THR 94 3HG2 THR 94 3.259 18.008 1.500 798 HG22 THR 94 1HG2 THR 94 4.373 18.099 2.869 799 HG23 THR 94 2HG2 THR 94 3.115 19.320 2.671 800 H LYS 95 H LYS 95 0.744 14.278 3.007 801 HA LYS 95 HA LYS 95 0.723 13.250 5.739 802 HB2 LYS 95 2HB LYS 95 -0.704 15.367 5.713 803 HB3 LYS 95 1HB LYS 95 -1.748 14.593 4.521 804 HG2 LYS 95 2HG LYS 95 -2.337 12.848 6.155 805 HG3 LYS 95 1HG LYS 95 -1.263 13.584 7.348 806 HD2 LYS 95 2HD LYS 95 -3.726 14.903 6.138 807 HD3 LYS 95 1HD LYS 95 -3.643 14.169 7.740 808 HE2 LYS 95 2HE LYS 95 -1.906 15.834 8.384 809 HE3 LYS 95 1HE LYS 95 -2.060 16.589 6.795 810 HZ1 LYS 95 3HZ LYS 95 -3.344 17.755 8.437 811 HZ2 LYS 95 1HZ LYS 95 -4.205 16.352 8.825 812 HZ3 LYS 95 2HZ LYS 95 -4.373 17.053 7.295 813 H ASN 96 H ASN 96 -0.311 11.208 5.832 814 HA ASN 96 HA ASN 96 -1.295 10.148 3.252 815 HB2 ASN 96 2HB ASN 96 -0.210 8.030 3.613 816 HB3 ASN 96 1HB ASN 96 0.983 9.302 3.731 817 HD21 ASN 96 1HD2 ASN 96 2.436 8.132 4.828 818 HD22 ASN 96 2HD2 ASN 96 2.227 7.541 6.431 819 H VAL 97 H VAL 97 -2.922 8.685 3.280 820 HA VAL 97 HA VAL 97 -4.786 8.874 5.525 821 HB VAL 97 HB VAL 97 -6.403 7.804 3.903 822 HG11 VAL 97 1HG1 VAL 97 -4.952 10.293 2.895 823 HG12 VAL 97 2HG1 VAL 97 -6.259 10.255 4.080 824 HG13 VAL 97 3HG1 VAL 97 -6.577 9.787 2.410 825 HG21 VAL 97 3HG2 VAL 97 -4.762 6.500 2.560 826 HG22 VAL 97 1HG2 VAL 97 -4.085 8.000 1.919 827 HG23 VAL 97 2HG2 VAL 97 -5.745 7.540 1.528 828 H ALA 98 H ALA 98 -2.330 6.764 4.809 829 HA ALA 98 HA ALA 98 -3.627 4.222 5.368 830 HB1 ALA 98 3HB ALA 98 -1.338 3.291 5.241 831 HB2 ALA 98 1HB ALA 98 -0.685 4.926 5.100 832 HB3 ALA 98 2HB ALA 98 -1.725 4.275 3.834 833 H ALA 99 H ALA 99 -2.154 6.792 7.144 834 HA ALA 99 HA ALA 99 -1.485 5.457 9.567 835 HB1 ALA 99 3HB ALA 99 -2.301 8.348 9.124 836 HB2 ALA 99 1HB ALA 99 -0.662 7.712 8.983 837 HB3 ALA 99 2HB ALA 99 -1.475 7.711 10.550 838 H LYS 100 H LYS 100 -4.505 6.687 8.219 839 HA LYS 100 HA LYS 100 -6.067 6.387 10.654 840 HB2 LYS 100 2HB LYS 100 -6.942 6.765 7.749 841 HB3 LYS 100 1HB LYS 100 -8.021 6.821 9.143 842 HG2 LYS 100 2HG LYS 100 -5.748 8.751 8.561 843 HG3 LYS 100 1HG LYS 100 -7.473 9.075 8.350 844 HD2 LYS 100 2HD LYS 100 -7.798 8.771 10.815 845 HD3 LYS 100 1HD LYS 100 -6.062 8.509 10.996 846 HE2 LYS 100 2HE LYS 100 -7.412 11.067 10.060 847 HE3 LYS 100 1HE LYS 100 -6.612 10.797 11.610 848 HZ1 LYS 100 3HZ LYS 100 -5.138 11.981 10.168 849 HZ2 LYS 100 1HZ LYS 100 -5.328 10.847 8.932 850 HZ3 LYS 100 2HZ LYS 100 -4.523 10.418 10.352 851 H THR 101 H THR 101 -4.980 4.357 8.101 852 HA THR 101 HA THR 101 -7.108 2.377 8.276 853 HB THR 101 HB THR 101 -4.509 2.143 6.687 854 HG1 THR 101 HG1 THR 101 -5.366 3.420 5.193 855 HG21 THR 101 3HG2 THR 101 -5.934 0.097 6.791 856 HG22 THR 101 1HG2 THR 101 -5.881 0.784 5.166 857 HG23 THR 101 2HG2 THR 101 -7.302 1.034 6.180 858 H LYS 102 H LYS 102 -6.954 1.526 10.319 859 HA LYS 102 HA LYS 102 -4.524 0.097 11.159 860 HB2 LYS 102 2HB LYS 102 -7.208 0.510 12.568 861 HB3 LYS 102 1HB LYS 102 -5.831 -0.350 13.253 862 HG2 LYS 102 2HG LYS 102 -4.502 1.719 13.234 863 HG3 LYS 102 1HG LYS 102 -5.852 2.594 12.502 864 HD2 LYS 102 2HD LYS 102 -7.220 2.251 14.497 865 HD3 LYS 102 1HD LYS 102 -5.985 1.215 15.218 866 HE2 LYS 102 2HE LYS 102 -5.581 4.162 14.583 867 HE3 LYS 102 1HE LYS 102 -6.045 3.537 16.166 868 HZ1 LYS 102 3HZ LYS 102 -3.542 2.856 14.721 869 HZ2 LYS 102 1HZ LYS 102 -3.981 2.301 16.254 870 HZ3 LYS 102 2HZ LYS 102 -3.670 3.946 16.006 871 H LEU 103 H LEU 103 -4.833 -2.188 11.922 872 HA LEU 103 HA LEU 103 -6.365 -3.930 10.275 873 HB2 LEU 103 2HB LEU 103 -4.390 -4.690 11.600 874 HB3 LEU 103 1HB LEU 103 -5.256 -4.361 13.091 875 HG LEU 103 HG LEU 103 -6.910 -6.164 12.466 876 HD11 LEU 103 1HD1 LEU 103 -4.978 -6.803 10.221 877 HD12 LEU 103 2HD1 LEU 103 -6.612 -6.163 10.043 878 HD13 LEU 103 3HD1 LEU 103 -6.371 -7.771 10.712 879 HD21 LEU 103 3HD2 LEU 103 -5.458 -8.062 13.049 880 HD22 LEU 103 1HD2 LEU 103 -5.083 -6.650 14.036 881 HD23 LEU 103 2HD2 LEU 103 -4.022 -7.095 12.695 882 HA PRO 104 HA PRO 104 -10.452 -3.085 12.242 883 HB2 PRO 104 2HB PRO 104 -11.742 -5.369 11.290 884 HB3 PRO 104 1HB PRO 104 -11.556 -3.876 10.365 885 HG2 PRO 104 2HG PRO 104 -9.857 -6.371 10.283 886 HG3 PRO 104 1HG PRO 104 -10.504 -5.416 8.928 887 HD2 PRO 104 2HD PRO 104 -7.952 -5.120 9.681 888 HD3 PRO 104 1HD PRO 104 -8.907 -3.688 9.227 889 H LYS 105 H LYS 105 -11.714 -4.042 13.981 890 HA LYS 105 HA LYS 105 -10.085 -5.280 15.941 891 HB2 LYS 105 2HB LYS 105 -13.077 -4.709 15.934 892 HB3 LYS 105 1HB LYS 105 -12.190 -5.300 17.338 893 HG2 LYS 105 2HG LYS 105 -10.841 -3.246 17.386 894 HG3 LYS 105 1HG LYS 105 -11.651 -2.658 15.930 895 HD2 LYS 105 2HD LYS 105 -12.656 -1.565 17.853 896 HD3 LYS 105 1HD LYS 105 -13.834 -2.689 17.177 897 HE2 LYS 105 2HE LYS 105 -13.869 -2.834 19.610 898 HE3 LYS 105 1HE LYS 105 -13.218 -4.339 18.962 899 HZ1 LYS 105 3HZ LYS 105 -11.615 -2.093 20.044 900 HZ2 LYS 105 1HZ LYS 105 -11.003 -3.563 19.476 901 HZ3 LYS 105 2HZ LYS 105 -11.970 -3.526 20.861 902 H ALA 106 H ALA 106 -9.398 -7.197 15.239 903 HA ALA 106 HA ALA 106 -11.253 -9.488 15.294 904 HB1 ALA 106 3HB ALA 106 -10.773 -8.992 12.924 905 HB2 ALA 106 1HB ALA 106 -10.036 -10.520 13.404 906 HB3 ALA 106 2HB ALA 106 -9.038 -9.071 13.238 907 H ASP 107 H ASP 107 -8.621 -7.930 16.570 908 HA ASP 107 HA ASP 107 -7.037 -10.304 17.289 909 HB2 ASP 107 2HB ASP 107 -5.761 -8.390 16.470 910 HB3 ASP 107 1HB ASP 107 -6.562 -7.304 17.598 911 H LYS 108 H LYS 108 -6.834 -10.974 19.416 912 HA LYS 108 HA LYS 108 -8.923 -10.262 21.288 913 HB2 LYS 108 2HB LYS 108 -6.538 -12.127 21.712 914 HB3 LYS 108 1HB LYS 108 -8.000 -12.053 22.691 915 HG2 LYS 108 2HG LYS 108 -7.772 -13.012 19.822 916 HG3 LYS 108 1HG LYS 108 -8.082 -13.999 21.259 917 HD2 LYS 108 2HD LYS 108 -10.255 -12.814 21.581 918 HD3 LYS 108 1HD LYS 108 -9.942 -11.860 20.125 919 HE2 LYS 108 2HE LYS 108 -11.454 -13.692 19.599 920 HE3 LYS 108 1HE LYS 108 -9.908 -13.958 18.793 921 HZ1 LYS 108 3HZ LYS 108 -9.305 -15.499 20.579 922 HZ2 LYS 108 1HZ LYS 108 -10.712 -15.984 19.781 923 HZ3 LYS 108 2HZ LYS 108 -10.816 -15.262 21.304 924 H GLU 109 H GLU 109 -8.336 -8.033 21.472 925 HA GLU 109 HA GLU 109 -5.882 -7.073 22.559 926 HB2 GLU 109 2HB GLU 109 -8.639 -5.753 22.461 927 HB3 GLU 109 1HB GLU 109 -7.107 -4.919 22.728 928 HG2 GLU 109 2HG GLU 109 -6.398 -5.320 20.470 929 HG3 GLU 109 1HG GLU 109 -7.724 -6.449 20.179 930 H GLU 110 H GLU 110 -5.260 -7.289 24.672 931 HA GLU 110 HA GLU 110 -7.097 -7.775 26.832 932 HB2 GLU 110 2HB GLU 110 -5.212 -7.713 28.327 933 HB3 GLU 110 1HB GLU 110 -4.686 -8.542 26.871 934 HG2 GLU 110 2HG GLU 110 -4.043 -5.645 27.551 935 HG3 GLU 110 1HG GLU 110 -2.971 -7.014 27.855 936 H LEU 111 H LEU 111 -5.887 -4.985 25.208 937 HA LEU 111 HA LEU 111 -6.435 -2.914 27.041 938 HB2 LEU 111 2HB LEU 111 -6.593 -2.909 24.003 939 HB3 LEU 111 1HB LEU 111 -6.624 -1.458 24.998 940 HG LEU 111 HG LEU 111 -4.289 -3.404 24.771 941 HD11 LEU 111 1HD1 LEU 111 -4.565 -0.595 23.668 942 HD12 LEU 111 2HD1 LEU 111 -4.586 -2.094 22.736 943 HD13 LEU 111 3HD1 LEU 111 -3.122 -1.617 23.591 944 HD21 LEU 111 3HD2 LEU 111 -4.477 -0.804 26.335 945 HD22 LEU 111 1HD2 LEU 111 -3.010 -1.767 26.102 946 HD23 LEU 111 2HD2 LEU 111 -4.363 -2.432 27.010 947 H GLU 112 H GLU 112 -8.584 -4.955 25.249 948 HA GLU 112 HA GLU 112 -10.967 -3.420 25.238 949 HB2 GLU 112 2HB GLU 112 -10.448 -5.621 23.973 950 HB3 GLU 112 1HB GLU 112 -10.784 -6.458 25.479 951 HG2 GLU 112 2HG GLU 112 -12.738 -6.598 24.116 952 HG3 GLU 112 1HG GLU 112 -13.095 -5.493 25.445 953 H HIS 113 H HIS 113 -9.279 -5.138 27.729 954 HA HIS 113 HA HIS 113 -11.451 -4.771 29.712 955 HB2 HIS 113 2HB HIS 113 -10.842 -7.095 29.599 956 HB3 HIS 113 1HB HIS 113 -9.124 -6.730 29.532 957 HD1 HIS 113 HD1 HIS 113 -12.003 -6.457 32.025 958 HD2 HIS 113 HD2 HIS 113 -7.889 -6.987 31.939 959 HE1 HIS 113 HE1 HIS 113 -11.326 -6.875 34.404 960 HE2 HIS 113 HE2 HIS 113 -8.875 -7.422 34.279 961 H HIS 114 H HIS 114 -11.090 -3.462 31.436 962 HA HIS 114 HA HIS 114 -8.732 -1.826 31.660 963 HB2 HIS 114 2HB HIS 114 -11.173 -2.140 33.461 964 HB3 HIS 114 1HB HIS 114 -9.859 -1.024 33.815 965 HD1 HIS 114 HD1 HIS 114 -13.080 -0.868 32.562 966 HD2 HIS 114 HD2 HIS 114 -9.460 0.645 31.205 967 HE1 HIS 114 HE1 HIS 114 -13.682 1.062 31.077 968 HE2 HIS 114 HE2 HIS 114 -11.480 1.886 30.173 969 H HIS 115 H HIS 115 -6.967 -3.036 32.070 970 HA HIS 115 HA HIS 115 -6.729 -5.124 33.992 971 HB2 HIS 115 2HB HIS 115 -5.209 -4.782 31.971 972 HB3 HIS 115 1HB HIS 115 -4.488 -3.408 32.801 973 HD1 HIS 115 HD1 HIS 115 -2.215 -4.184 33.424 974 HD2 HIS 115 HD2 HIS 115 -5.089 -7.076 34.225 975 HE1 HIS 115 HE1 HIS 115 -0.977 -6.064 34.528 976 HE2 HIS 115 HE2 HIS 115 -2.759 -7.737 35.143 977 H HIS 116 H HIS 116 -6.997 -4.728 36.125 978 HA HIS 116 HA HIS 116 -6.463 -2.056 37.251 979 HB2 HIS 116 2HB HIS 116 -7.884 -2.958 39.207 980 HB3 HIS 116 1HB HIS 116 -8.717 -2.689 37.688 981 HD1 HIS 116 HD1 HIS 116 -7.961 -5.318 40.168 982 HD2 HIS 116 HD2 HIS 116 -9.474 -5.089 36.300 983 HE1 HIS 116 HE1 HIS 116 -9.024 -7.544 39.727 984 HE2 HIS 116 HE2 HIS 116 -10.121 -7.292 37.483 985 H HIS 117 H HIS 117 -5.557 -1.972 39.457 986 HA HIS 117 HA HIS 117 -3.766 -2.134 40.802 987 HB2 HIS 117 2HB HIS 117 -4.027 -5.116 40.235 988 HB3 HIS 117 1HB HIS 117 -2.779 -4.471 41.295 989 HD1 HIS 117 HD1 HIS 117 -3.447 -4.829 43.633 990 HD2 HIS 117 HD2 HIS 117 -6.696 -3.834 41.252 991 HE1 HIS 117 HE1 HIS 117 -5.417 -4.784 45.180 992 HE2 HIS 117 HE2 HIS 117 -7.393 -4.281 43.703 993 H HIS 118 H HIS 118 -2.593 -0.832 39.383 994 HA HIS 118 HA HIS 118 -1.009 -1.929 37.215 995 HB2 HIS 118 2HB HIS 118 -1.240 0.890 38.366 996 HB3 HIS 118 1HB HIS 118 -0.183 0.482 37.019 997 HD1 HIS 118 HD1 HIS 118 -1.224 1.168 34.881 998 HD2 HIS 118 HD2 HIS 118 -4.084 -0.155 37.588 999 HE1 HIS 118 HE1 HIS 118 -3.424 1.345 33.680 1000 HE2 HIS 118 HE2 HIS 118 -5.149 0.710 35.396 Start of MODEL 16 1 H1 MET 1 1H MET 1 5.639 24.564 -11.639 2 H2 MET 1 2H MET 1 4.632 23.463 -10.846 3 H3 MET 1 3H MET 1 5.445 22.999 -12.251 4 HA MET 1 HA MET 1 7.558 23.194 -11.164 5 HB2 MET 1 2HB MET 1 6.921 25.032 -9.604 6 HB3 MET 1 1HB MET 1 5.903 23.922 -8.699 7 HG2 MET 1 2HG MET 1 7.929 22.610 -8.100 8 HG3 MET 1 1HG MET 1 8.925 23.799 -8.932 9 HE1 MET 1 3HE MET 1 9.307 26.271 -8.080 10 HE2 MET 1 1HE MET 1 8.476 26.962 -6.692 11 HE3 MET 1 2HE MET 1 7.574 26.570 -8.161 12 H GLU 2 H GLU 2 7.002 21.095 -12.065 13 HA GLU 2 HA GLU 2 6.589 18.877 -12.112 14 HB2 GLU 2 2HB GLU 2 7.920 19.096 -9.388 15 HB3 GLU 2 1HB GLU 2 7.603 17.561 -10.182 16 HG2 GLU 2 2HG GLU 2 9.899 18.110 -10.568 17 HG3 GLU 2 1HG GLU 2 9.041 18.296 -12.093 18 HA PRO 3 HA PRO 3 2.512 18.965 -9.816 19 HB2 PRO 3 2HB PRO 3 0.978 18.081 -11.917 20 HB3 PRO 3 1HB PRO 3 1.427 19.779 -11.707 21 HG2 PRO 3 2HG PRO 3 2.739 17.689 -13.450 22 HG3 PRO 3 1HG PRO 3 2.256 19.348 -13.875 23 HD2 PRO 3 2HD PRO 3 4.815 18.766 -13.244 24 HD3 PRO 3 1HD PRO 3 4.084 20.308 -12.748 25 H SER 4 H SER 4 1.135 17.210 -9.195 26 HA SER 4 HA SER 4 2.386 14.682 -8.863 27 HB2 SER 4 2HB SER 4 0.871 15.536 -7.142 28 HB3 SER 4 1HB SER 4 -0.475 15.584 -8.282 29 HG SER 4 HG SER 4 0.530 13.485 -6.854 30 H LYS 5 H LYS 5 2.803 13.932 -10.939 31 HA LYS 5 HA LYS 5 0.539 12.938 -12.567 32 HB2 LYS 5 2HB LYS 5 3.513 13.138 -13.225 33 HB3 LYS 5 1HB LYS 5 2.257 12.601 -14.336 34 HG2 LYS 5 2HG LYS 5 2.185 15.379 -13.120 35 HG3 LYS 5 1HG LYS 5 3.166 15.026 -14.536 36 HD2 LYS 5 2HD LYS 5 1.136 15.943 -15.376 37 HD3 LYS 5 1HD LYS 5 1.038 14.212 -15.690 38 HE2 LYS 5 2HE LYS 5 -0.457 13.954 -13.733 39 HE3 LYS 5 1HE LYS 5 -0.340 15.685 -13.407 40 HZ1 LYS 5 3HZ LYS 5 -1.438 14.478 -15.887 41 HZ2 LYS 5 1HZ LYS 5 -1.386 16.128 -15.512 42 HZ3 LYS 5 2HZ LYS 5 -2.357 15.083 -14.600 43 H LEU 6 H LEU 6 2.517 12.014 -10.106 44 HA LEU 6 HA LEU 6 3.347 9.406 -10.846 45 HB2 LEU 6 2HB LEU 6 4.462 10.779 -9.127 46 HB3 LEU 6 1HB LEU 6 3.026 10.703 -8.118 47 HG LEU 6 HG LEU 6 3.342 8.294 -7.774 48 HD11 LEU 6 1HD1 LEU 6 5.792 8.520 -9.551 49 HD12 LEU 6 2HD1 LEU 6 4.307 7.632 -9.911 50 HD13 LEU 6 3HD1 LEU 6 5.341 7.113 -8.585 51 HD21 LEU 6 3HD2 LEU 6 4.436 9.862 -6.242 52 HD22 LEU 6 1HD2 LEU 6 5.884 9.867 -7.252 53 HD23 LEU 6 2HD2 LEU 6 5.383 8.390 -6.428 54 H SER 7 H SER 7 1.891 7.911 -11.367 55 HA SER 7 HA SER 7 -0.610 7.490 -9.973 56 HB2 SER 7 2HB SER 7 -0.108 6.925 -12.464 57 HB3 SER 7 1HB SER 7 0.756 5.511 -11.852 58 HG SER 7 HG SER 7 -1.126 4.679 -11.106 59 H TYR 8 H TYR 8 -0.995 5.863 -8.418 60 HA TYR 8 HA TYR 8 1.121 5.545 -6.579 61 HB2 TYR 8 2HB TYR 8 -1.276 5.777 -5.937 62 HB3 TYR 8 1HB TYR 8 -1.588 4.155 -6.552 63 HD1 TYR 8 HD1 TYR 8 1.141 5.574 -4.370 64 HD2 TYR 8 HD2 TYR 8 -2.030 2.731 -4.690 65 HE1 TYR 8 HE1 TYR 8 1.697 4.702 -2.148 66 HE2 TYR 8 HE2 TYR 8 -1.466 1.857 -2.459 67 HH TYR 8 HH TYR 8 0.560 1.785 -0.971 68 H GLY 9 H GLY 9 -0.130 3.339 -9.013 69 HA2 GLY 9 2HA GLY 9 1.012 0.906 -8.015 70 HA3 GLY 9 1HA GLY 9 0.452 1.213 -9.659 71 H GLU 10 H GLU 10 2.053 3.384 -10.325 72 HA GLU 10 HA GLU 10 4.560 2.195 -11.022 73 HB2 GLU 10 2HB GLU 10 3.801 5.152 -11.162 74 HB3 GLU 10 1HB GLU 10 5.109 4.357 -12.042 75 HG2 GLU 10 2HG GLU 10 2.126 3.986 -12.444 76 HG3 GLU 10 1HG GLU 10 3.261 4.754 -13.549 77 H TYR 11 H TYR 11 3.421 4.381 -8.512 78 HA TYR 11 HA TYR 11 5.932 5.118 -7.426 79 HB2 TYR 11 2HB TYR 11 3.956 6.444 -6.833 80 HB3 TYR 11 1HB TYR 11 3.184 5.037 -6.104 81 HD1 TYR 11 HD1 TYR 11 6.495 6.796 -5.814 82 HD2 TYR 11 HD2 TYR 11 3.210 5.030 -3.747 83 HE1 TYR 11 HE1 TYR 11 7.597 7.258 -3.686 84 HE2 TYR 11 HE2 TYR 11 4.307 5.499 -1.603 85 HH TYR 11 HH TYR 11 6.592 5.864 -0.781 86 H LEU 12 H LEU 12 3.747 2.389 -6.813 87 HA LEU 12 HA LEU 12 5.005 1.430 -4.445 88 HB2 LEU 12 2HB LEU 12 3.152 0.100 -6.439 89 HB3 LEU 12 1HB LEU 12 3.745 -0.741 -5.010 90 HG LEU 12 HG LEU 12 2.147 1.846 -4.914 91 HD11 LEU 12 1HD1 LEU 12 1.174 -0.981 -4.468 92 HD12 LEU 12 2HD1 LEU 12 0.765 0.078 -5.823 93 HD13 LEU 12 3HD1 LEU 12 0.252 0.500 -4.194 94 HD21 LEU 12 3HD2 LEU 12 1.904 1.340 -2.519 95 HD22 LEU 12 1HD2 LEU 12 3.591 1.567 -2.974 96 HD23 LEU 12 2HD2 LEU 12 2.963 -0.060 -2.699 97 H GLU 13 H GLU 13 5.542 0.840 -7.854 98 HA GLU 13 HA GLU 13 7.460 -1.279 -7.517 99 HB2 GLU 13 2HB GLU 13 6.789 0.554 -9.850 100 HB3 GLU 13 1HB GLU 13 8.013 -0.711 -9.949 101 HG2 GLU 13 2HG GLU 13 5.105 -1.206 -9.248 102 HG3 GLU 13 1HG GLU 13 5.769 -1.349 -10.877 103 H SER 14 H SER 14 7.656 2.241 -7.955 104 HA SER 14 HA SER 14 10.482 2.511 -8.010 105 HB2 SER 14 2HB SER 14 8.940 4.295 -8.749 106 HB3 SER 14 1HB SER 14 8.336 4.474 -7.103 107 HG SER 14 HG SER 14 10.922 5.073 -8.098 108 H TRP 15 H TRP 15 8.119 2.577 -5.429 109 HA TRP 15 HA TRP 15 9.769 3.147 -3.213 110 HB2 TRP 15 2HB TRP 15 7.375 3.523 -3.001 111 HB3 TRP 15 1HB TRP 15 7.011 1.861 -3.448 112 HD1 TRP 15 HD1 TRP 15 8.545 3.855 -0.489 113 HE1 TRP 15 HE1 TRP 15 8.157 2.519 1.675 114 HE3 TRP 15 HE3 TRP 15 6.551 -0.407 -2.510 115 HZ2 TRP 15 HZ2 TRP 15 7.169 -0.003 2.424 116 HZ3 TRP 15 HZ3 TRP 15 5.932 -2.245 -0.986 117 HH2 TRP 15 HH2 TRP 15 6.240 -2.044 1.437 118 H PHE 16 H PHE 16 8.594 0.170 -4.743 119 HA PHE 16 HA PHE 16 9.677 -1.672 -2.890 120 HB2 PHE 16 2HB PHE 16 7.918 -2.341 -4.501 121 HB3 PHE 16 1HB PHE 16 9.033 -2.099 -5.848 122 HD1 PHE 16 HD2 PHE 16 8.749 -3.989 -2.629 123 HD2 PHE 16 HD1 PHE 16 10.245 -3.968 -6.631 124 HE1 PHE 16 HE2 PHE 16 9.599 -6.261 -2.330 125 HE2 PHE 16 HE1 PHE 16 11.107 -6.240 -6.317 126 HZ PHE 16 HZ PHE 16 10.786 -7.385 -4.167 127 H ASN 17 H ASN 17 10.988 -0.141 -5.813 128 HA ASN 17 HA ASN 17 13.357 -1.641 -6.117 129 HB2 ASN 17 2HB ASN 17 12.650 1.198 -6.951 130 HB3 ASN 17 1HB ASN 17 14.220 0.492 -7.327 131 HD21 ASN 17 1HD2 ASN 17 11.977 1.381 -9.080 132 HD22 ASN 17 2HD2 ASN 17 11.622 0.021 -10.084 133 H THR 18 H THR 18 12.683 1.265 -4.160 134 HA THR 18 HA THR 18 15.383 1.277 -3.067 135 HB THR 18 HB THR 18 14.269 3.435 -3.472 136 HG1 THR 18 HG1 THR 18 14.426 3.917 -0.912 137 HG21 THR 18 3HG2 THR 18 12.362 2.684 -1.230 138 HG22 THR 18 1HG2 THR 18 11.926 2.835 -2.935 139 HG23 THR 18 2HG2 THR 18 12.463 4.252 -2.032 140 H LYS 19 H LYS 19 12.342 -0.208 -2.267 141 HA LYS 19 HA LYS 19 12.658 -0.353 0.588 142 HB2 LYS 19 2HB LYS 19 10.415 -0.470 -0.587 143 HB3 LYS 19 1HB LYS 19 10.853 -2.059 -1.195 144 HG2 LYS 19 2HG LYS 19 9.351 -2.221 0.733 145 HG3 LYS 19 1HG LYS 19 10.923 -2.942 1.092 146 HD2 LYS 19 2HD LYS 19 11.588 -0.960 2.367 147 HD3 LYS 19 1HD LYS 19 10.094 -0.129 1.923 148 HE2 LYS 19 2HE LYS 19 8.788 -1.753 3.216 149 HE3 LYS 19 1HE LYS 19 10.258 -2.659 3.593 150 HZ1 LYS 19 3HZ LYS 19 9.712 0.143 4.400 151 HZ2 LYS 19 1HZ LYS 19 11.089 -0.753 4.796 152 HZ3 LYS 19 2HZ LYS 19 9.581 -1.209 5.401 153 H ARG 20 H ARG 20 13.542 -2.365 -2.143 154 HA ARG 20 HA ARG 20 14.349 -4.751 -0.977 155 HB2 ARG 20 2HB ARG 20 15.675 -3.234 -3.253 156 HB3 ARG 20 1HB ARG 20 16.020 -4.917 -2.857 157 HG2 ARG 20 2HG ARG 20 13.730 -5.558 -3.405 158 HG3 ARG 20 1HG ARG 20 13.296 -3.874 -3.698 159 HD2 ARG 20 2HD ARG 20 15.256 -5.544 -5.313 160 HD3 ARG 20 1HD ARG 20 13.651 -5.006 -5.825 161 HE ARG 20 HE ARG 20 15.371 -2.818 -5.116 162 HH11 ARG 20 1HH1 ARG 20 14.643 -4.996 -7.789 163 HH12 ARG 20 2HH1 ARG 20 15.253 -3.899 -8.984 164 HH21 ARG 20 1HH2 ARG 20 16.179 -1.433 -6.669 165 HH22 ARG 20 2HH2 ARG 20 16.129 -1.872 -8.348 166 H HIS 21 H HIS 21 15.962 -1.613 -0.881 167 HA HIS 21 HA HIS 21 18.485 -2.393 0.132 168 HB2 HIS 21 2HB HIS 21 16.993 0.251 0.429 169 HB3 HIS 21 1HB HIS 21 18.670 0.013 0.916 170 HD1 HIS 21 HD1 HIS 21 20.367 0.509 -0.810 171 HD2 HIS 21 HD2 HIS 21 16.635 -0.189 -2.488 172 HE1 HIS 21 HE1 HIS 21 20.622 1.050 -3.251 173 HE2 HIS 21 HE2 HIS 21 18.306 0.775 -4.211 174 H SER 22 H SER 22 15.392 -2.137 1.698 175 HA SER 22 HA SER 22 16.570 -2.276 4.409 176 HB2 SER 22 2HB SER 22 13.690 -1.744 3.511 177 HB3 SER 22 1HB SER 22 14.258 -1.747 5.185 178 HG SER 22 HG SER 22 14.249 0.271 3.536 179 H VAL 23 H VAL 23 14.596 -4.138 2.119 180 HA VAL 23 HA VAL 23 14.106 -6.245 4.156 181 HB VAL 23 HB VAL 23 12.170 -6.966 2.883 182 HG11 VAL 23 1HG1 VAL 23 12.075 -3.951 3.283 183 HG12 VAL 23 2HG1 VAL 23 11.811 -5.171 4.531 184 HG13 VAL 23 3HG1 VAL 23 10.678 -5.026 3.187 185 HG21 VAL 23 3HG2 VAL 23 11.330 -5.761 0.862 186 HG22 VAL 23 1HG2 VAL 23 12.881 -6.555 0.578 187 HG23 VAL 23 2HG2 VAL 23 12.817 -4.811 0.828 188 H GLY 24 H GLY 24 14.368 -8.418 3.626 189 HA2 GLY 24 2HA GLY 24 16.579 -9.049 1.929 190 HA3 GLY 24 1HA GLY 24 15.598 -10.189 2.834 191 H ILE 25 H ILE 25 16.419 -11.026 0.432 192 HA ILE 25 HA ILE 25 14.868 -10.364 -1.837 193 HB ILE 25 HB ILE 25 16.263 -13.012 -1.227 194 HG12 ILE 25 2HG1 ILE 25 17.860 -11.115 -1.128 195 HG13 ILE 25 1HG1 ILE 25 18.183 -12.113 -2.540 196 HG21 ILE 25 1HG2 ILE 25 16.306 -13.379 -3.691 197 HG22 ILE 25 2HG2 ILE 25 15.324 -11.928 -3.915 198 HG23 ILE 25 3HG2 ILE 25 14.663 -13.313 -3.048 199 HD11 ILE 25 3HD1 ILE 25 18.391 -9.767 -3.049 200 HD12 ILE 25 1HD1 ILE 25 16.735 -9.474 -2.527 201 HD13 ILE 25 2HD1 ILE 25 17.051 -10.470 -3.952 202 H GLN 26 H GLN 26 14.449 -12.940 0.595 203 HA GLN 26 HA GLN 26 12.130 -14.138 -0.542 204 HB2 GLN 26 2HB GLN 26 11.871 -15.304 1.596 205 HB3 GLN 26 1HB GLN 26 13.557 -15.314 1.095 206 HG2 GLN 26 2HG GLN 26 13.989 -13.436 2.706 207 HG3 GLN 26 1HG GLN 26 12.320 -13.567 3.246 208 HE21 GLN 26 1HE2 GLN 26 14.470 -16.283 2.450 209 HE22 GLN 26 2HE2 GLN 26 14.539 -16.914 4.055 210 H THR 27 H THR 27 12.600 -11.614 1.873 211 HA THR 27 HA THR 27 9.901 -11.223 2.653 212 HB THR 27 HB THR 27 12.146 -9.149 2.758 213 HG1 THR 27 HG1 THR 27 11.600 -11.437 4.336 214 HG21 THR 27 3HG2 THR 27 9.904 -8.244 3.339 215 HG22 THR 27 1HG2 THR 27 10.947 -8.315 4.764 216 HG23 THR 27 2HG2 THR 27 9.690 -9.532 4.528 217 H ALA 28 H ALA 28 11.919 -9.879 0.134 218 HA ALA 28 HA ALA 28 10.279 -7.707 -0.692 219 HB1 ALA 28 3HB ALA 28 12.704 -7.788 -1.124 220 HB2 ALA 28 1HB ALA 28 11.812 -7.610 -2.634 221 HB3 ALA 28 2HB ALA 28 12.482 -9.180 -2.185 222 H LYS 29 H LYS 29 10.646 -11.066 -1.744 223 HA LYS 29 HA LYS 29 8.997 -11.066 -4.026 224 HB2 LYS 29 2HB LYS 29 10.583 -12.903 -3.378 225 HB3 LYS 29 1HB LYS 29 9.510 -13.360 -2.068 226 HG2 LYS 29 2HG LYS 29 8.540 -13.396 -4.939 227 HG3 LYS 29 1HG LYS 29 9.511 -14.727 -4.310 228 HD2 LYS 29 2HD LYS 29 6.834 -13.802 -3.171 229 HD3 LYS 29 1HD LYS 29 7.069 -15.199 -4.223 230 HE2 LYS 29 2HE LYS 29 8.296 -14.874 -1.458 231 HE3 LYS 29 1HE LYS 29 6.858 -15.823 -1.831 232 HZ1 LYS 29 3HZ LYS 29 9.594 -16.326 -2.871 233 HZ2 LYS 29 1HZ LYS 29 8.219 -17.200 -3.315 234 HZ3 LYS 29 2HZ LYS 29 8.778 -17.255 -1.718 235 H VAL 30 H VAL 30 8.277 -11.346 -0.613 236 HA VAL 30 HA VAL 30 5.536 -12.166 -0.894 237 HB VAL 30 HB VAL 30 7.078 -11.121 1.517 238 HG11 VAL 30 1HG1 VAL 30 4.347 -12.449 1.418 239 HG12 VAL 30 2HG1 VAL 30 4.689 -10.787 1.908 240 HG13 VAL 30 3HG1 VAL 30 5.261 -12.133 2.895 241 HG21 VAL 30 3HG2 VAL 30 6.399 -13.968 0.694 242 HG22 VAL 30 1HG2 VAL 30 7.227 -13.500 2.181 243 HG23 VAL 30 2HG2 VAL 30 7.997 -13.222 0.617 244 H LEU 31 H LEU 31 7.152 -9.104 0.037 245 HA LEU 31 HA LEU 31 4.838 -7.541 0.460 246 HB2 LEU 31 2HB LEU 31 7.587 -6.555 -0.420 247 HB3 LEU 31 1HB LEU 31 6.312 -5.558 0.269 248 HG LEU 31 HG LEU 31 7.975 -7.675 1.679 249 HD11 LEU 31 1HD1 LEU 31 7.707 -4.701 2.195 250 HD12 LEU 31 2HD1 LEU 31 9.066 -5.509 1.407 251 HD13 LEU 31 3HD1 LEU 31 8.713 -5.837 3.101 252 HD21 LEU 31 3HD2 LEU 31 5.580 -6.202 2.815 253 HD22 LEU 31 1HD2 LEU 31 6.694 -7.225 3.725 254 HD23 LEU 31 2HD2 LEU 31 5.682 -7.931 2.469 255 H LYS 32 H LYS 32 6.877 -7.993 -2.405 256 HA LYS 32 HA LYS 32 5.502 -6.195 -4.140 257 HB2 LYS 32 2HB LYS 32 7.832 -7.010 -4.543 258 HB3 LYS 32 1HB LYS 32 7.203 -8.621 -4.868 259 HG2 LYS 32 2HG LYS 32 5.914 -7.638 -6.809 260 HG3 LYS 32 1HG LYS 32 6.732 -6.101 -6.497 261 HD2 LYS 32 2HD LYS 32 8.934 -7.270 -6.836 262 HD3 LYS 32 1HD LYS 32 8.048 -8.731 -7.283 263 HE2 LYS 32 2HE LYS 32 8.771 -7.539 -9.286 264 HE3 LYS 32 1HE LYS 32 7.009 -7.477 -9.172 265 HZ1 LYS 32 3HZ LYS 32 8.838 -5.315 -8.293 266 HZ2 LYS 32 1HZ LYS 32 7.149 -5.246 -8.331 267 HZ3 LYS 32 2HZ LYS 32 8.025 -5.345 -9.772 268 H GLY 33 H GLY 33 5.358 -9.695 -3.600 269 HA2 GLY 33 2HA GLY 33 3.434 -10.441 -5.492 270 HA3 GLY 33 1HA GLY 33 3.751 -11.284 -3.981 271 H TYR 34 H TYR 34 3.049 -8.870 -2.384 272 HA TYR 34 HA TYR 34 0.158 -9.051 -2.371 273 HB2 TYR 34 2HB TYR 34 2.148 -7.528 -0.654 274 HB3 TYR 34 1HB TYR 34 0.406 -7.365 -0.449 275 HD1 TYR 34 HD2 TYR 34 -0.369 -10.263 -0.925 276 HD2 TYR 34 HD1 TYR 34 2.714 -8.514 1.467 277 HE1 TYR 34 HE2 TYR 34 -0.443 -12.188 0.576 278 HE2 TYR 34 HE1 TYR 34 2.621 -10.444 2.986 279 HH TYR 34 HH TYR 34 1.073 -13.326 2.178 280 H LEU 35 H LEU 35 2.651 -6.669 -3.299 281 HA LEU 35 HA LEU 35 1.020 -4.403 -3.572 282 HB2 LEU 35 2HB LEU 35 3.577 -5.165 -5.022 283 HB3 LEU 35 1HB LEU 35 2.786 -3.616 -5.273 284 HG LEU 35 HG LEU 35 3.932 -4.611 -2.634 285 HD11 LEU 35 1HD1 LEU 35 5.625 -2.860 -2.911 286 HD12 LEU 35 2HD1 LEU 35 4.961 -2.444 -4.493 287 HD13 LEU 35 3HD1 LEU 35 5.691 -4.030 -4.227 288 HD21 LEU 35 3HD2 LEU 35 2.599 -1.962 -3.289 289 HD22 LEU 35 1HD2 LEU 35 3.424 -2.352 -1.776 290 HD23 LEU 35 2HD2 LEU 35 1.969 -3.227 -2.232 291 H ASN 36 H ASN 36 2.122 -6.589 -6.217 292 HA ASN 36 HA ASN 36 0.450 -5.345 -8.154 293 HB2 ASN 36 2HB ASN 36 1.127 -7.158 -9.696 294 HB3 ASN 36 1HB ASN 36 2.502 -6.445 -8.868 295 HD21 ASN 36 1HD2 ASN 36 3.755 -7.715 -7.532 296 HD22 ASN 36 2HD2 ASN 36 3.533 -9.420 -7.355 297 H SER 37 H SER 37 -0.109 -8.048 -5.983 298 HA SER 37 HA SER 37 -2.342 -9.142 -7.481 299 HB2 SER 37 2HB SER 37 -0.910 -10.621 -6.129 300 HB3 SER 37 1HB SER 37 -1.354 -9.754 -4.661 301 HG SER 37 HG SER 37 -2.591 -11.803 -5.787 302 H ARG 38 H ARG 38 -1.964 -7.285 -4.463 303 HA ARG 38 HA ARG 38 -4.879 -7.217 -4.058 304 HB2 ARG 38 2HB ARG 38 -2.660 -6.444 -2.115 305 HB3 ARG 38 1HB ARG 38 -4.372 -6.575 -1.740 306 HG2 ARG 38 2HG ARG 38 -2.552 -8.885 -2.518 307 HG3 ARG 38 1HG ARG 38 -3.070 -8.491 -0.880 308 HD2 ARG 38 2HD ARG 38 -4.461 -10.293 -1.577 309 HD3 ARG 38 1HD ARG 38 -5.475 -8.852 -1.690 310 HE ARG 38 HE ARG 38 -4.101 -9.767 -4.122 311 HH11 ARG 38 1HH1 ARG 38 -7.108 -9.607 -2.360 312 HH12 ARG 38 2HH1 ARG 38 -8.081 -9.945 -3.750 313 HH21 ARG 38 1HH2 ARG 38 -5.405 -10.173 -5.948 314 HH22 ARG 38 2HH2 ARG 38 -7.129 -10.270 -5.768 315 H ILE 39 H ILE 39 -2.064 -4.922 -3.957 316 HA ILE 39 HA ILE 39 -3.892 -2.711 -3.518 317 HB ILE 39 HB ILE 39 -0.858 -2.514 -3.840 318 HG12 ILE 39 2HG1 ILE 39 -0.983 -2.106 -1.249 319 HG13 ILE 39 1HG1 ILE 39 -2.558 -2.874 -1.325 320 HG21 ILE 39 1HG2 ILE 39 -2.004 -0.391 -4.280 321 HG22 ILE 39 2HG2 ILE 39 -1.134 -0.291 -2.750 322 HG23 ILE 39 3HG2 ILE 39 -2.887 -0.516 -2.755 323 HD11 ILE 39 3HD1 ILE 39 -0.908 -4.415 -0.567 324 HD12 ILE 39 1HD1 ILE 39 0.104 -4.112 -1.979 325 HD13 ILE 39 2HD1 ILE 39 -1.456 -4.920 -2.165 326 H ILE 40 H ILE 40 -1.874 -3.832 -6.259 327 HA ILE 40 HA ILE 40 -2.054 -1.464 -7.784 328 HB ILE 40 HB ILE 40 -1.044 -4.194 -8.352 329 HG12 ILE 40 2HG1 ILE 40 0.830 -2.925 -9.426 330 HG13 ILE 40 1HG1 ILE 40 -0.059 -1.427 -9.192 331 HG21 ILE 40 1HG2 ILE 40 -2.579 -4.103 -10.247 332 HG22 ILE 40 2HG2 ILE 40 -0.913 -3.963 -10.808 333 HG23 ILE 40 3HG2 ILE 40 -1.940 -2.528 -10.724 334 HD11 ILE 40 3HD1 ILE 40 1.654 -1.630 -7.549 335 HD12 ILE 40 1HD1 ILE 40 1.067 -3.219 -7.058 336 HD13 ILE 40 2HD1 ILE 40 0.089 -1.783 -6.753 337 HA PRO 41 HA PRO 41 -6.039 -3.458 -9.974 338 HB2 PRO 41 2HB PRO 41 -7.028 -5.135 -7.668 339 HB3 PRO 41 1HB PRO 41 -7.142 -5.440 -9.409 340 HG2 PRO 41 2HG PRO 41 -5.391 -6.791 -7.949 341 HG3 PRO 41 1HG PRO 41 -4.915 -6.184 -9.553 342 HD2 PRO 41 2HD PRO 41 -4.297 -5.019 -6.825 343 HD3 PRO 41 1HD PRO 41 -3.212 -5.261 -8.214 344 H SER 42 H SER 42 -5.695 -2.616 -6.573 345 HA SER 42 HA SER 42 -8.405 -1.471 -6.399 346 HB2 SER 42 2HB SER 42 -7.664 -3.009 -4.607 347 HB3 SER 42 1HB SER 42 -6.307 -1.949 -4.231 348 HG SER 42 HG SER 42 -8.230 -1.731 -2.878 349 H LEU 43 H LEU 43 -5.253 -0.376 -5.101 350 HA LEU 43 HA LEU 43 -6.037 2.437 -5.429 351 HB2 LEU 43 2HB LEU 43 -3.719 1.253 -3.851 352 HB3 LEU 43 1HB LEU 43 -4.334 2.896 -3.741 353 HG LEU 43 HG LEU 43 -5.805 0.380 -2.836 354 HD11 LEU 43 1HD1 LEU 43 -3.913 0.915 -1.369 355 HD12 LEU 43 2HD1 LEU 43 -5.450 1.171 -0.551 356 HD13 LEU 43 3HD1 LEU 43 -4.527 2.557 -1.142 357 HD21 LEU 43 3HD2 LEU 43 -7.489 1.889 -1.884 358 HD22 LEU 43 1HD2 LEU 43 -7.379 2.078 -3.632 359 HD23 LEU 43 2HD2 LEU 43 -6.653 3.285 -2.568 360 H GLY 44 H GLY 44 -4.060 0.157 -7.003 361 HA2 GLY 44 2HA GLY 44 -1.652 1.611 -7.430 362 HA3 GLY 44 1HA GLY 44 -2.194 0.209 -8.339 363 H ASN 45 H ASN 45 -4.370 0.938 -9.662 364 HA ASN 45 HA ASN 45 -3.545 2.537 -11.823 365 HB2 ASN 45 2HB ASN 45 -6.401 1.851 -10.983 366 HB3 ASN 45 1HB ASN 45 -5.935 2.483 -12.556 367 HD21 ASN 45 1HD2 ASN 45 -5.845 -0.303 -10.449 368 HD22 ASN 45 2HD2 ASN 45 -5.407 -1.445 -11.666 369 H ILE 46 H ILE 46 -5.042 3.375 -8.810 370 HA ILE 46 HA ILE 46 -6.014 5.973 -9.514 371 HB ILE 46 HB ILE 46 -5.417 4.795 -6.759 372 HG12 ILE 46 2HG1 ILE 46 -8.047 4.807 -8.310 373 HG13 ILE 46 1HG1 ILE 46 -7.041 3.394 -8.005 374 HG21 ILE 46 1HG2 ILE 46 -5.604 7.237 -6.677 375 HG22 ILE 46 2HG2 ILE 46 -6.974 6.481 -5.870 376 HG23 ILE 46 3HG2 ILE 46 -7.173 7.165 -7.485 377 HD11 ILE 46 3HD1 ILE 46 -8.968 3.440 -6.534 378 HD12 ILE 46 1HD1 ILE 46 -8.499 5.023 -5.918 379 HD13 ILE 46 2HD1 ILE 46 -7.487 3.612 -5.595 380 H LYS 47 H LYS 47 -5.033 7.974 -9.141 381 HA LYS 47 HA LYS 47 -2.149 8.073 -9.141 382 HB2 LYS 47 2HB LYS 47 -4.102 10.409 -8.992 383 HB3 LYS 47 1HB LYS 47 -2.418 10.471 -9.516 384 HG2 LYS 47 2HG LYS 47 -4.741 9.133 -10.945 385 HG3 LYS 47 1HG LYS 47 -3.875 10.581 -11.464 386 HD2 LYS 47 2HD LYS 47 -1.871 9.288 -11.946 387 HD3 LYS 47 1HD LYS 47 -2.556 7.845 -11.202 388 HE2 LYS 47 2HE LYS 47 -4.277 7.764 -12.994 389 HE3 LYS 47 1HE LYS 47 -3.520 9.164 -13.760 390 HZ1 LYS 47 3HZ LYS 47 -2.786 7.105 -14.768 391 HZ2 LYS 47 1HZ LYS 47 -2.224 6.535 -13.275 392 HZ3 LYS 47 2HZ LYS 47 -1.488 7.873 -14.006 393 H LEU 48 H LEU 48 -0.826 9.110 -7.570 394 HA LEU 48 HA LEU 48 -1.343 8.280 -4.941 395 HB2 LEU 48 2HB LEU 48 0.920 8.476 -5.926 396 HB3 LEU 48 1HB LEU 48 0.765 10.222 -5.957 397 HG LEU 48 HG LEU 48 0.763 10.295 -3.479 398 HD11 LEU 48 1HD1 LEU 48 1.243 8.304 -2.133 399 HD12 LEU 48 2HD1 LEU 48 1.130 7.291 -3.575 400 HD13 LEU 48 3HD1 LEU 48 -0.292 8.157 -2.985 401 HD21 LEU 48 3HD2 LEU 48 3.106 9.653 -3.075 402 HD22 LEU 48 1HD2 LEU 48 2.921 10.484 -4.620 403 HD23 LEU 48 2HD2 LEU 48 3.124 8.730 -4.580 404 H ALA 49 H ALA 49 -1.715 11.494 -6.425 405 HA ALA 49 HA ALA 49 -2.299 12.948 -4.026 406 HB1 ALA 49 3HB ALA 49 -3.023 13.625 -6.891 407 HB2 ALA 49 1HB ALA 49 -1.523 14.066 -6.074 408 HB3 ALA 49 2HB ALA 49 -3.058 14.745 -5.525 409 H LYS 50 H LYS 50 -4.208 10.882 -6.058 410 HA LYS 50 HA LYS 50 -6.805 11.853 -5.189 411 HB2 LYS 50 2HB LYS 50 -5.957 9.408 -6.798 412 HB3 LYS 50 1HB LYS 50 -7.637 9.763 -6.403 413 HG2 LYS 50 2HG LYS 50 -5.809 11.564 -8.027 414 HG3 LYS 50 1HG LYS 50 -7.014 10.455 -8.695 415 HD2 LYS 50 2HD LYS 50 -8.801 11.717 -7.480 416 HD3 LYS 50 1HD LYS 50 -7.581 12.851 -6.892 417 HE2 LYS 50 2HE LYS 50 -7.097 13.524 -9.220 418 HE3 LYS 50 1HE LYS 50 -8.298 12.369 -9.810 419 HZ1 LYS 50 3HZ LYS 50 -8.854 14.689 -8.040 420 HZ2 LYS 50 1HZ LYS 50 -10.003 13.594 -8.629 421 HZ3 LYS 50 2HZ LYS 50 -9.176 14.608 -9.698 422 H LEU 51 H LEU 51 -4.432 9.813 -3.822 423 HA LEU 51 HA LEU 51 -6.080 7.906 -2.499 424 HB2 LEU 51 2HB LEU 51 -3.210 8.742 -2.299 425 HB3 LEU 51 1HB LEU 51 -3.886 7.951 -0.889 426 HG LEU 51 HG LEU 51 -4.436 5.953 -2.219 427 HD11 LEU 51 1HD1 LEU 51 -3.151 7.352 -4.580 428 HD12 LEU 51 2HD1 LEU 51 -4.866 6.976 -4.399 429 HD13 LEU 51 3HD1 LEU 51 -3.691 5.669 -4.531 430 HD21 LEU 51 3HD2 LEU 51 -1.546 6.819 -2.561 431 HD22 LEU 51 1HD2 LEU 51 -2.151 5.161 -2.572 432 HD23 LEU 51 2HD2 LEU 51 -2.247 6.121 -1.099 433 H THR 52 H THR 52 -7.707 8.727 -1.380 434 HA THR 52 HA THR 52 -7.177 10.425 0.978 435 HB THR 52 HB THR 52 -9.005 11.283 -0.406 436 HG1 THR 52 HG1 THR 52 -9.561 11.676 1.644 437 HG21 THR 52 3HG2 THR 52 -9.666 9.231 -1.572 438 HG22 THR 52 1HG2 THR 52 -11.068 9.992 -0.815 439 HG23 THR 52 2HG2 THR 52 -10.328 8.572 -0.072 440 H SER 53 H SER 53 -8.598 9.722 2.915 441 HA SER 53 HA SER 53 -7.780 7.153 3.808 442 HB2 SER 53 2HB SER 53 -9.802 9.077 5.023 443 HB3 SER 53 1HB SER 53 -9.071 7.697 5.859 444 HG SER 53 HG SER 53 -7.008 8.749 5.337 445 H LEU 54 H LEU 54 -10.653 8.289 2.191 446 HA LEU 54 HA LEU 54 -12.442 6.174 2.757 447 HB2 LEU 54 2HB LEU 54 -13.196 8.274 1.705 448 HB3 LEU 54 1HB LEU 54 -12.242 7.919 0.278 449 HG LEU 54 HG LEU 54 -13.690 5.944 -0.200 450 HD11 LEU 54 1HD1 LEU 54 -15.361 6.871 2.157 451 HD12 LEU 54 2HD1 LEU 54 -14.412 5.384 2.063 452 HD13 LEU 54 3HD1 LEU 54 -15.801 5.609 1.004 453 HD21 LEU 54 3HD2 LEU 54 -15.203 8.566 0.061 454 HD22 LEU 54 1HD2 LEU 54 -15.672 7.201 -0.956 455 HD23 LEU 54 2HD2 LEU 54 -14.179 8.075 -1.291 456 H HIS 55 H HIS 55 -9.967 6.584 0.222 457 HA HIS 55 HA HIS 55 -10.471 4.232 -1.287 458 HB2 HIS 55 2HB HIS 55 -7.939 5.890 -0.923 459 HB3 HIS 55 1HB HIS 55 -8.014 4.515 -2.019 460 HD1 HIS 55 HD1 HIS 55 -7.381 6.329 -3.818 461 HD2 HIS 55 HD2 HIS 55 -11.190 6.686 -2.200 462 HE1 HIS 55 HE1 HIS 55 -8.623 7.844 -5.367 463 HE2 HIS 55 HE2 HIS 55 -10.963 7.957 -4.441 464 H MET 56 H MET 56 -8.645 4.847 1.608 465 HA MET 56 HA MET 56 -7.254 2.327 1.731 466 HB2 MET 56 2HB MET 56 -7.696 4.491 3.828 467 HB3 MET 56 1HB MET 56 -6.593 3.123 4.007 468 HG2 MET 56 2HG MET 56 -6.401 5.320 1.935 469 HG3 MET 56 1HG MET 56 -5.362 5.103 3.352 470 HE1 MET 56 3HE MET 56 -3.398 5.354 1.425 471 HE2 MET 56 1HE MET 56 -4.552 5.277 0.095 472 HE3 MET 56 2HE MET 56 -3.176 4.176 0.135 473 H GLN 57 H GLN 57 -10.175 3.702 3.163 474 HA GLN 57 HA GLN 57 -10.869 1.517 4.850 475 HB2 GLN 57 2HB GLN 57 -11.834 3.780 5.177 476 HB3 GLN 57 1HB GLN 57 -12.619 3.689 3.606 477 HG2 GLN 57 2HG GLN 57 -14.200 3.315 5.461 478 HG3 GLN 57 1HG GLN 57 -14.099 1.915 4.395 479 HE21 GLN 57 1HE2 GLN 57 -13.239 -0.024 5.203 480 HE22 GLN 57 2HE2 GLN 57 -12.938 -0.282 6.887 481 H ASN 58 H ASN 58 -11.680 2.385 1.500 482 HA ASN 58 HA ASN 58 -13.486 0.275 0.919 483 HB2 ASN 58 2HB ASN 58 -11.751 1.971 -0.933 484 HB3 ASN 58 1HB ASN 58 -12.974 0.839 -1.512 485 HD21 ASN 58 1HD2 ASN 58 -12.853 3.710 -1.911 486 HD22 ASN 58 2HD2 ASN 58 -14.298 4.363 -1.235 487 H TYR 59 H TYR 59 -9.978 0.590 0.796 488 HA TYR 59 HA TYR 59 -9.378 -1.832 -0.541 489 HB2 TYR 59 2HB TYR 59 -7.683 -0.045 -0.195 490 HB3 TYR 59 1HB TYR 59 -7.707 -0.345 1.541 491 HD1 TYR 59 HD2 TYR 59 -6.780 -1.846 -1.749 492 HD2 TYR 59 HD1 TYR 59 -6.411 -2.153 2.493 493 HE1 TYR 59 HE2 TYR 59 -5.059 -3.577 -2.017 494 HE2 TYR 59 HE1 TYR 59 -4.700 -3.887 2.224 495 HH TYR 59 HH TYR 59 -3.278 -4.607 -0.814 496 H VAL 60 H VAL 60 -9.792 -1.067 2.934 497 HA VAL 60 HA VAL 60 -9.292 -3.662 4.000 498 HB VAL 60 HB VAL 60 -11.021 -1.429 5.179 499 HG11 VAL 60 1HG1 VAL 60 -9.796 -3.849 6.567 500 HG12 VAL 60 2HG1 VAL 60 -11.516 -3.579 6.282 501 HG13 VAL 60 3HG1 VAL 60 -10.626 -2.522 7.382 502 HG21 VAL 60 3HG2 VAL 60 -9.007 -0.825 6.470 503 HG22 VAL 60 1HG2 VAL 60 -8.718 -0.705 4.734 504 HG23 VAL 60 2HG2 VAL 60 -8.089 -2.083 5.639 505 H ASN 61 H ASN 61 -12.198 -2.103 2.753 506 HA ASN 61 HA ASN 61 -14.110 -4.072 3.539 507 HB2 ASN 61 2HB ASN 61 -14.243 -2.049 1.259 508 HB3 ASN 61 1HB ASN 61 -15.612 -2.975 1.869 509 HD21 ASN 61 1HD2 ASN 61 -15.235 -0.085 1.711 510 HD22 ASN 61 2HD2 ASN 61 -15.394 0.519 3.323 511 H SER 62 H SER 62 -12.057 -3.623 0.693 512 HA SER 62 HA SER 62 -12.998 -5.726 -0.928 513 HB2 SER 62 2HB SER 62 -10.141 -4.670 -0.710 514 HB3 SER 62 1HB SER 62 -10.814 -5.583 -2.063 515 HG SER 62 HG SER 62 -11.350 -3.716 -2.823 516 H LEU 63 H LEU 63 -10.470 -5.631 1.604 517 HA LEU 63 HA LEU 63 -9.402 -8.232 1.293 518 HB2 LEU 63 2HB LEU 63 -9.559 -6.697 3.916 519 HB3 LEU 63 1HB LEU 63 -8.376 -7.923 3.475 520 HG LEU 63 HG LEU 63 -8.620 -5.123 2.353 521 HD11 LEU 63 1HD1 LEU 63 -6.415 -4.738 3.314 522 HD12 LEU 63 2HD1 LEU 63 -6.416 -6.369 3.993 523 HD13 LEU 63 3HD1 LEU 63 -7.600 -5.179 4.541 524 HD21 LEU 63 3HD2 LEU 63 -6.676 -7.265 1.464 525 HD22 LEU 63 1HD2 LEU 63 -6.682 -5.583 0.937 526 HD23 LEU 63 2HD2 LEU 63 -8.030 -6.635 0.524 527 H ARG 64 H ARG 64 -12.167 -7.063 3.061 528 HA ARG 64 HA ARG 64 -12.832 -9.304 4.622 529 HB2 ARG 64 2HB ARG 64 -13.841 -7.079 4.945 530 HB3 ARG 64 1HB ARG 64 -14.617 -7.183 3.369 531 HG2 ARG 64 2HG ARG 64 -15.985 -9.103 4.190 532 HG3 ARG 64 1HG ARG 64 -15.238 -8.931 5.780 533 HD2 ARG 64 2HD ARG 64 -17.445 -7.865 5.730 534 HD3 ARG 64 1HD ARG 64 -16.184 -6.648 5.972 535 HE ARG 64 HE ARG 64 -17.510 -7.186 3.368 536 HH11 ARG 64 1HH1 ARG 64 -16.049 -4.867 5.585 537 HH12 ARG 64 2HH1 ARG 64 -16.460 -3.499 4.598 538 HH21 ARG 64 1HH2 ARG 64 -17.964 -5.388 2.055 539 HH22 ARG 64 2HH2 ARG 64 -17.523 -3.802 2.602 540 H ASP 65 H ASP 65 -13.901 -8.366 1.307 541 HA ASP 65 HA ASP 65 -15.363 -10.859 0.977 542 HB2 ASP 65 2HB ASP 65 -16.139 -10.059 -1.148 543 HB3 ASP 65 1HB ASP 65 -16.268 -8.741 0.002 544 H GLU 66 H GLU 66 -12.113 -9.862 0.448 545 HA GLU 66 HA GLU 66 -11.442 -11.939 -1.466 546 HB2 GLU 66 2HB GLU 66 -9.580 -10.452 0.462 547 HB3 GLU 66 1HB GLU 66 -9.077 -11.450 -0.899 548 HG2 GLU 66 2HG GLU 66 -10.469 -8.774 -0.992 549 HG3 GLU 66 1HG GLU 66 -8.831 -9.149 -1.505 550 H GLY 67 H GLY 67 -11.872 -11.658 1.967 551 HA2 GLY 67 2HA GLY 67 -11.928 -13.199 3.647 552 HA3 GLY 67 1HA GLY 67 -11.699 -14.468 2.456 553 H LEU 68 H LEU 68 -9.520 -11.750 2.978 554 HA LEU 68 HA LEU 68 -7.247 -13.429 3.384 555 HB2 LEU 68 2HB LEU 68 -7.617 -10.428 3.628 556 HB3 LEU 68 1HB LEU 68 -6.070 -11.213 3.919 557 HG LEU 68 HG LEU 68 -7.588 -11.281 1.276 558 HD11 LEU 68 1HD1 LEU 68 -5.821 -9.830 0.415 559 HD12 LEU 68 2HD1 LEU 68 -5.081 -9.748 2.017 560 HD13 LEU 68 3HD1 LEU 68 -6.683 -9.058 1.745 561 HD21 LEU 68 3HD2 LEU 68 -5.542 -12.325 0.363 562 HD22 LEU 68 1HD2 LEU 68 -6.289 -13.327 1.606 563 HD23 LEU 68 2HD2 LEU 68 -4.847 -12.384 1.985 564 H LYS 69 H LYS 69 -6.129 -13.930 5.179 565 HA LYS 69 HA LYS 69 -7.468 -13.912 7.724 566 HB2 LYS 69 2HB LYS 69 -5.462 -15.134 8.549 567 HB3 LYS 69 1HB LYS 69 -6.128 -15.853 7.089 568 HG2 LYS 69 2HG LYS 69 -4.345 -14.786 5.753 569 HG3 LYS 69 1HG LYS 69 -3.682 -14.065 7.220 570 HD2 LYS 69 2HD LYS 69 -2.390 -16.040 6.598 571 HD3 LYS 69 1HD LYS 69 -3.225 -16.331 8.124 572 HE2 LYS 69 2HE LYS 69 -3.333 -18.309 6.659 573 HE3 LYS 69 1HE LYS 69 -4.944 -17.651 6.936 574 HZ1 LYS 69 3HZ LYS 69 -3.288 -17.235 4.499 575 HZ2 LYS 69 1HZ LYS 69 -4.827 -16.586 4.760 576 HZ3 LYS 69 2HZ LYS 69 -4.626 -18.257 4.629 577 H ARG 70 H ARG 70 -6.583 -13.010 9.705 578 HA ARG 70 HA ARG 70 -6.328 -10.250 9.508 579 HB2 ARG 70 2HB ARG 70 -5.999 -10.169 11.906 580 HB3 ARG 70 1HB ARG 70 -7.172 -11.423 11.522 581 HG2 ARG 70 2HG ARG 70 -5.517 -13.166 11.892 582 HG3 ARG 70 1HG ARG 70 -4.248 -11.965 12.132 583 HD2 ARG 70 2HD ARG 70 -5.502 -11.133 14.145 584 HD3 ARG 70 1HD ARG 70 -6.646 -12.467 13.929 585 HE ARG 70 HE ARG 70 -3.966 -13.425 14.032 586 HH11 ARG 70 1HH1 ARG 70 -6.597 -12.363 16.132 587 HH12 ARG 70 2HH1 ARG 70 -5.926 -13.117 17.544 588 HH21 ARG 70 1HH2 ARG 70 -3.133 -14.412 15.864 589 HH22 ARG 70 2HH2 ARG 70 -3.969 -14.293 17.378 590 H GLY 71 H GLY 71 -3.743 -12.628 9.864 591 HA2 GLY 71 2HA GLY 71 -1.569 -10.909 10.322 592 HA3 GLY 71 1HA GLY 71 -1.482 -12.505 9.590 593 H THR 72 H THR 72 -2.871 -12.207 7.273 594 HA THR 72 HA THR 72 -1.026 -10.990 5.517 595 HB THR 72 HB THR 72 -3.895 -11.839 4.908 596 HG1 THR 72 HG1 THR 72 -1.564 -13.253 5.392 597 HG21 THR 72 3HG2 THR 72 -2.931 -10.434 3.097 598 HG22 THR 72 1HG2 THR 72 -3.100 -12.112 2.577 599 HG23 THR 72 2HG2 THR 72 -1.515 -11.485 3.027 600 H ILE 73 H ILE 73 -4.246 -9.963 6.661 601 HA ILE 73 HA ILE 73 -4.475 -7.546 5.237 602 HB ILE 73 HB ILE 73 -5.615 -8.286 7.971 603 HG12 ILE 73 2HG1 ILE 73 -6.910 -8.384 5.204 604 HG13 ILE 73 1HG1 ILE 73 -6.367 -9.781 6.128 605 HG21 ILE 73 1HG2 ILE 73 -7.259 -6.455 7.656 606 HG22 ILE 73 2HG2 ILE 73 -6.424 -5.954 6.187 607 HG23 ILE 73 3HG2 ILE 73 -5.608 -5.838 7.745 608 HD11 ILE 73 3HD1 ILE 73 -8.765 -9.561 6.265 609 HD12 ILE 73 1HD1 ILE 73 -8.620 -7.910 6.872 610 HD13 ILE 73 2HD1 ILE 73 -8.056 -9.266 7.850 611 H GLU 74 H GLU 74 -3.111 -8.266 8.437 612 HA GLU 74 HA GLU 74 -2.527 -5.634 9.235 613 HB2 GLU 74 2HB GLU 74 -2.668 -7.574 10.782 614 HB3 GLU 74 1HB GLU 74 -1.191 -8.240 10.091 615 HG2 GLU 74 2HG GLU 74 0.080 -6.298 10.929 616 HG3 GLU 74 1HG GLU 74 -1.402 -5.606 11.594 617 H LYS 75 H LYS 75 -0.653 -8.005 7.378 618 HA LYS 75 HA LYS 75 1.796 -6.533 7.337 619 HB2 LYS 75 2HB LYS 75 0.758 -8.782 5.566 620 HB3 LYS 75 1HB LYS 75 2.356 -8.063 5.353 621 HG2 LYS 75 2HG LYS 75 2.941 -8.726 7.680 622 HG3 LYS 75 1HG LYS 75 1.367 -9.514 7.837 623 HD2 LYS 75 2HD LYS 75 3.531 -10.254 5.822 624 HD3 LYS 75 1HD LYS 75 3.183 -11.125 7.319 625 HE2 LYS 75 2HE LYS 75 0.932 -11.687 6.473 626 HE3 LYS 75 1HE LYS 75 1.252 -10.774 4.998 627 HZ1 LYS 75 3HZ LYS 75 3.117 -12.320 4.572 628 HZ2 LYS 75 1HZ LYS 75 1.593 -13.052 4.559 629 HZ3 LYS 75 2HZ LYS 75 2.611 -13.244 5.891 630 H ILE 76 H ILE 76 -0.814 -6.911 4.914 631 HA ILE 76 HA ILE 76 0.519 -5.408 2.889 632 HB ILE 76 HB ILE 76 -1.558 -5.544 1.586 633 HG12 ILE 76 2HG1 ILE 76 -2.815 -6.566 4.172 634 HG13 ILE 76 1HG1 ILE 76 -3.292 -5.148 3.244 635 HG21 ILE 76 1HG2 ILE 76 -1.748 -7.980 1.427 636 HG22 ILE 76 2HG2 ILE 76 -0.986 -8.162 3.009 637 HG23 ILE 76 3HG2 ILE 76 -0.068 -7.499 1.658 638 HD11 ILE 76 3HD1 ILE 76 -3.634 -8.032 2.431 639 HD12 ILE 76 1HD1 ILE 76 -4.056 -6.640 1.431 640 HD13 ILE 76 2HD1 ILE 76 -4.890 -6.917 2.957 641 H ILE 77 H ILE 77 -1.872 -4.526 5.337 642 HA ILE 77 HA ILE 77 -2.328 -1.864 4.490 643 HB ILE 77 HB ILE 77 -2.496 -3.106 7.262 644 HG12 ILE 77 2HG1 ILE 77 -4.141 -4.059 5.729 645 HG13 ILE 77 1HG1 ILE 77 -4.984 -3.008 6.859 646 HG21 ILE 77 1HG2 ILE 77 -3.822 -1.114 7.961 647 HG22 ILE 77 2HG2 ILE 77 -3.414 -0.329 6.435 648 HG23 ILE 77 3HG2 ILE 77 -2.142 -0.723 7.592 649 HD11 ILE 77 3HD1 ILE 77 -4.274 -2.384 4.000 650 HD12 ILE 77 1HD1 ILE 77 -5.047 -1.264 5.120 651 HD13 ILE 77 2HD1 ILE 77 -5.874 -2.745 4.646 652 H LYS 78 H LYS 78 0.123 -3.279 6.697 653 HA LYS 78 HA LYS 78 1.394 -0.803 7.359 654 HB2 LYS 78 2HB LYS 78 2.415 -3.659 7.520 655 HB3 LYS 78 1HB LYS 78 3.374 -2.277 8.047 656 HG2 LYS 78 2HG LYS 78 0.747 -3.237 9.212 657 HG3 LYS 78 1HG LYS 78 2.342 -3.307 9.967 658 HD2 LYS 78 2HD LYS 78 2.354 -0.754 9.883 659 HD3 LYS 78 1HD LYS 78 0.664 -0.847 9.371 660 HE2 LYS 78 2HE LYS 78 1.806 -1.836 12.006 661 HE3 LYS 78 1HE LYS 78 0.782 -0.418 11.760 662 HZ1 LYS 78 3HZ LYS 78 0.019 -3.266 11.419 663 HZ2 LYS 78 1HZ LYS 78 -0.952 -1.974 10.918 664 HZ3 LYS 78 2HZ LYS 78 -0.579 -2.165 12.552 665 H VAL 79 H VAL 79 1.693 -2.988 4.655 666 HA VAL 79 HA VAL 79 4.129 -2.010 3.545 667 HB VAL 79 HB VAL 79 1.769 -3.456 2.245 668 HG11 VAL 79 1HG1 VAL 79 4.511 -2.919 1.036 669 HG12 VAL 79 2HG1 VAL 79 2.989 -2.207 0.497 670 HG13 VAL 79 3HG1 VAL 79 3.258 -3.942 0.325 671 HG21 VAL 79 3HG2 VAL 79 4.493 -4.497 3.124 672 HG22 VAL 79 1HG2 VAL 79 3.230 -5.453 2.341 673 HG23 VAL 79 2HG2 VAL 79 2.963 -4.784 3.950 674 H ILE 80 H ILE 80 0.684 -1.219 2.945 675 HA ILE 80 HA ILE 80 1.048 0.833 1.016 676 HB ILE 80 HB ILE 80 -1.229 0.434 3.011 677 HG12 ILE 80 2HG1 ILE 80 -1.026 -0.379 0.080 678 HG13 ILE 80 1HG1 ILE 80 -0.892 -1.477 1.451 679 HG21 ILE 80 1HG2 ILE 80 -1.228 2.187 0.522 680 HG22 ILE 80 2HG2 ILE 80 -1.242 2.762 2.190 681 HG23 ILE 80 3HG2 ILE 80 -2.621 1.865 1.556 682 HD11 ILE 80 3HD1 ILE 80 -3.218 -0.959 2.068 683 HD12 ILE 80 1HD1 ILE 80 -3.076 -1.621 0.442 684 HD13 ILE 80 2HD1 ILE 80 -3.339 0.107 0.663 685 H ARG 81 H ARG 81 0.662 0.965 4.542 686 HA ARG 81 HA ARG 81 0.728 3.760 4.894 687 HB2 ARG 81 2HB ARG 81 1.595 1.575 6.829 688 HB3 ARG 81 1HB ARG 81 1.370 3.267 7.272 689 HG2 ARG 81 2HG ARG 81 -1.013 3.110 6.730 690 HG3 ARG 81 1HG ARG 81 -0.802 1.439 6.208 691 HD2 ARG 81 2HD ARG 81 -1.736 1.387 8.406 692 HD3 ARG 81 1HD ARG 81 -0.051 0.880 8.557 693 HE ARG 81 HE ARG 81 -1.198 3.482 9.388 694 HH11 ARG 81 1HH1 ARG 81 1.565 1.308 9.447 695 HH12 ARG 81 2HH1 ARG 81 2.238 2.012 10.875 696 HH21 ARG 81 1HH2 ARG 81 -0.267 4.405 11.270 697 HH22 ARG 81 2HH2 ARG 81 1.209 3.755 11.909 698 H ASN 82 H ASN 82 3.330 1.320 4.912 699 HA ASN 82 HA ASN 82 5.445 3.126 5.569 700 HB2 ASN 82 2HB ASN 82 5.574 0.637 5.902 701 HB3 ASN 82 1HB ASN 82 5.655 0.426 4.155 702 HD21 ASN 82 1HD2 ASN 82 7.327 1.643 6.967 703 HD22 ASN 82 2HD2 ASN 82 8.901 1.687 6.268 704 H SER 83 H SER 83 3.970 2.121 2.518 705 HA SER 83 HA SER 83 5.812 3.294 0.710 706 HB2 SER 83 2HB SER 83 2.793 2.953 0.393 707 HB3 SER 83 1HB SER 83 3.927 3.290 -0.917 708 HG SER 83 HG SER 83 4.437 1.076 0.700 709 H LEU 84 H LEU 84 2.896 4.556 2.317 710 HA LEU 84 HA LEU 84 3.067 7.169 1.173 711 HB2 LEU 84 2HB LEU 84 1.502 6.192 3.585 712 HB3 LEU 84 1HB LEU 84 1.302 7.765 2.826 713 HG LEU 84 HG LEU 84 0.607 5.051 1.654 714 HD11 LEU 84 1HD1 LEU 84 -1.120 7.455 2.301 715 HD12 LEU 84 2HD1 LEU 84 -1.036 5.939 3.203 716 HD13 LEU 84 3HD1 LEU 84 -1.665 5.948 1.560 717 HD21 LEU 84 3HD2 LEU 84 0.559 7.726 0.211 718 HD22 LEU 84 1HD2 LEU 84 -0.125 6.214 -0.394 719 HD23 LEU 84 2HD2 LEU 84 1.610 6.352 -0.143 720 H GLU 85 H GLU 85 4.469 5.739 4.079 721 HA GLU 85 HA GLU 85 5.257 8.102 5.444 722 HB2 GLU 85 2HB GLU 85 6.567 5.341 5.355 723 HB3 GLU 85 1HB GLU 85 7.051 6.615 6.469 724 HG2 GLU 85 2HG GLU 85 4.273 5.399 6.393 725 HG3 GLU 85 1HG GLU 85 5.572 4.829 7.440 726 H HIS 86 H HIS 86 6.762 6.142 2.923 727 HA HIS 86 HA HIS 86 9.195 7.626 2.625 728 HB2 HIS 86 2HB HIS 86 8.980 5.260 1.947 729 HB3 HIS 86 1HB HIS 86 7.764 5.687 0.757 730 HD1 HIS 86 HD1 HIS 86 11.443 6.346 1.450 731 HD2 HIS 86 HD2 HIS 86 8.806 6.072 -1.749 732 HE1 HIS 86 HE1 HIS 86 12.868 6.455 -0.616 733 HE2 HIS 86 HE2 HIS 86 11.253 6.291 -2.536 734 H ALA 87 H ALA 87 5.981 7.786 1.188 735 HA ALA 87 HA ALA 87 6.570 9.641 -0.896 736 HB1 ALA 87 3HB ALA 87 4.580 8.191 -0.946 737 HB2 ALA 87 1HB ALA 87 4.133 9.895 -1.097 738 HB3 ALA 87 2HB ALA 87 3.911 9.052 0.439 739 H ILE 88 H ILE 88 5.488 10.047 2.491 740 HA ILE 88 HA ILE 88 5.186 12.881 2.474 741 HB ILE 88 HB ILE 88 5.935 11.034 4.785 742 HG12 ILE 88 2HG1 ILE 88 3.244 12.287 4.082 743 HG13 ILE 88 1HG1 ILE 88 3.685 10.612 3.774 744 HG21 ILE 88 1HG2 ILE 88 5.051 13.945 4.945 745 HG22 ILE 88 2HG2 ILE 88 6.660 13.327 5.323 746 HG23 ILE 88 3HG2 ILE 88 5.285 12.866 6.323 747 HD11 ILE 88 3HD1 ILE 88 2.286 10.813 5.732 748 HD12 ILE 88 1HD1 ILE 88 3.446 11.899 6.492 749 HD13 ILE 88 2HD1 ILE 88 3.884 10.217 6.175 750 H ASP 89 H ASP 89 7.936 10.742 3.131 751 HA ASP 89 HA ASP 89 9.855 12.609 3.959 752 HB2 ASP 89 2HB ASP 89 10.106 10.146 4.169 753 HB3 ASP 89 1HB ASP 89 10.272 10.005 2.420 754 H LEU 90 H LEU 90 9.097 11.392 0.692 755 HA LEU 90 HA LEU 90 11.009 13.154 -0.633 756 HB2 LEU 90 2HB LEU 90 8.906 11.299 -1.834 757 HB3 LEU 90 1HB LEU 90 10.216 12.079 -2.709 758 HG LEU 90 HG LEU 90 10.504 9.897 -0.604 759 HD11 LEU 90 1HD1 LEU 90 11.013 9.805 -3.595 760 HD12 LEU 90 2HD1 LEU 90 9.641 9.090 -2.744 761 HD13 LEU 90 3HD1 LEU 90 11.268 8.486 -2.443 762 HD21 LEU 90 3HD2 LEU 90 12.913 9.902 -1.102 763 HD22 LEU 90 1HD2 LEU 90 12.391 11.450 -0.440 764 HD23 LEU 90 2HD2 LEU 90 12.707 11.296 -2.169 765 H GLU 91 H GLU 91 8.056 13.698 0.697 766 HA GLU 91 HA GLU 91 6.612 15.431 0.714 767 HB2 GLU 91 2HB GLU 91 8.587 16.716 -1.215 768 HB3 GLU 91 1HB GLU 91 7.291 17.575 -0.383 769 HG2 GLU 91 2HG GLU 91 8.325 17.180 1.769 770 HG3 GLU 91 1HG GLU 91 9.542 16.121 1.049 771 H LEU 92 H LEU 92 6.443 13.273 -1.310 772 HA LEU 92 HA LEU 92 5.059 14.239 -3.619 773 HB2 LEU 92 2HB LEU 92 5.077 11.485 -2.319 774 HB3 LEU 92 1HB LEU 92 4.495 11.837 -3.944 775 HG LEU 92 HG LEU 92 7.380 12.261 -3.051 776 HD11 LEU 92 1HD1 LEU 92 7.951 10.230 -4.285 777 HD12 LEU 92 2HD1 LEU 92 6.243 9.921 -4.605 778 HD13 LEU 92 3HD1 LEU 92 6.854 9.881 -2.950 779 HD21 LEU 92 3HD2 LEU 92 6.725 13.687 -4.938 780 HD22 LEU 92 1HD2 LEU 92 6.159 12.274 -5.836 781 HD23 LEU 92 2HD2 LEU 92 7.875 12.455 -5.452 782 H ILE 93 H ILE 93 4.132 13.361 -0.343 783 HA ILE 93 HA ILE 93 1.430 14.426 -0.829 784 HB ILE 93 HB ILE 93 0.389 12.764 0.739 785 HG12 ILE 93 2HG1 ILE 93 2.996 11.214 0.435 786 HG13 ILE 93 1HG1 ILE 93 2.478 12.045 1.895 787 HG21 ILE 93 1HG2 ILE 93 1.566 11.507 -1.763 788 HG22 ILE 93 2HG2 ILE 93 0.087 12.466 -1.669 789 HG23 ILE 93 3HG2 ILE 93 0.175 10.900 -0.861 790 HD11 ILE 93 3HD1 ILE 93 2.118 9.658 2.047 791 HD12 ILE 93 1HD1 ILE 93 1.095 9.691 0.614 792 HD13 ILE 93 2HD1 ILE 93 0.578 10.517 2.088 793 H THR 94 H THR 94 0.467 15.324 1.046 794 HA THR 94 HA THR 94 2.324 16.597 2.848 795 HB THR 94 HB THR 94 0.413 17.847 1.844 796 HG1 THR 94 HG1 THR 94 0.165 19.050 3.592 797 HG21 THR 94 3HG2 THR 94 -1.889 17.562 2.670 798 HG22 THR 94 1HG2 THR 94 -1.385 16.180 3.646 799 HG23 THR 94 2HG2 THR 94 -1.336 16.083 1.886 800 H LYS 95 H LYS 95 0.087 13.894 2.980 801 HA LYS 95 HA LYS 95 0.862 13.215 5.685 802 HB2 LYS 95 2HB LYS 95 -0.917 14.875 6.114 803 HB3 LYS 95 1HB LYS 95 -2.037 13.988 5.086 804 HG2 LYS 95 2HG LYS 95 -2.061 12.107 6.637 805 HG3 LYS 95 1HG LYS 95 -0.805 12.861 7.630 806 HD2 LYS 95 2HD LYS 95 -2.373 14.742 8.128 807 HD3 LYS 95 1HD LYS 95 -3.632 13.920 7.195 808 HE2 LYS 95 2HE LYS 95 -3.627 12.053 8.769 809 HE3 LYS 95 1HE LYS 95 -2.260 12.748 9.645 810 HZ1 LYS 95 3HZ LYS 95 -4.332 13.164 10.778 811 HZ2 LYS 95 1HZ LYS 95 -4.965 13.934 9.412 812 HZ3 LYS 95 2HZ LYS 95 -3.664 14.620 10.237 813 H ASN 96 H ASN 96 0.572 11.101 6.157 814 HA ASN 96 HA ASN 96 -0.068 9.164 4.141 815 HB2 ASN 96 2HB ASN 96 1.667 8.855 5.942 816 HB3 ASN 96 1HB ASN 96 0.391 8.832 7.144 817 HD21 ASN 96 1HD2 ASN 96 2.417 6.837 6.479 818 HD22 ASN 96 2HD2 ASN 96 1.565 5.392 6.093 819 H VAL 97 H VAL 97 -2.162 9.036 3.529 820 HA VAL 97 HA VAL 97 -4.400 9.493 5.293 821 HB VAL 97 HB VAL 97 -5.821 8.957 3.322 822 HG11 VAL 97 1HG1 VAL 97 -4.997 11.268 3.608 823 HG12 VAL 97 2HG1 VAL 97 -5.133 10.864 1.895 824 HG13 VAL 97 3HG1 VAL 97 -3.548 10.884 2.673 825 HG21 VAL 97 3HG2 VAL 97 -4.440 7.182 2.293 826 HG22 VAL 97 1HG2 VAL 97 -3.208 8.372 1.864 827 HG23 VAL 97 2HG2 VAL 97 -4.806 8.444 1.117 828 H ALA 98 H ALA 98 -2.466 6.782 4.666 829 HA ALA 98 HA ALA 98 -4.515 4.774 5.333 830 HB1 ALA 98 3HB ALA 98 -2.896 4.218 3.552 831 HB2 ALA 98 1HB ALA 98 -2.730 3.118 4.923 832 HB3 ALA 98 2HB ALA 98 -1.560 4.422 4.687 833 H ALA 99 H ALA 99 -2.679 6.970 7.002 834 HA ALA 99 HA ALA 99 -1.876 5.477 9.309 835 HB1 ALA 99 3HB ALA 99 -2.492 8.446 9.059 836 HB2 ALA 99 1HB ALA 99 -0.918 7.692 8.803 837 HB3 ALA 99 2HB ALA 99 -1.650 7.678 10.411 838 H LYS 100 H LYS 100 -4.934 6.482 8.119 839 HA LYS 100 HA LYS 100 -6.418 6.364 10.613 840 HB2 LYS 100 2HB LYS 100 -7.395 6.237 7.720 841 HB3 LYS 100 1HB LYS 100 -8.413 6.480 9.140 842 HG2 LYS 100 2HG LYS 100 -6.265 8.383 8.155 843 HG3 LYS 100 1HG LYS 100 -8.004 8.569 7.895 844 HD2 LYS 100 2HD LYS 100 -8.322 8.711 10.374 845 HD3 LYS 100 1HD LYS 100 -6.571 8.604 10.588 846 HE2 LYS 100 2HE LYS 100 -6.281 10.714 9.355 847 HE3 LYS 100 1HE LYS 100 -8.023 10.804 9.071 848 HZ1 LYS 100 3HZ LYS 100 -7.410 12.194 10.892 849 HZ2 LYS 100 1HZ LYS 100 -6.666 10.909 11.699 850 HZ3 LYS 100 2HZ LYS 100 -8.339 10.908 11.472 851 H THR 101 H THR 101 -5.164 4.140 8.333 852 HA THR 101 HA THR 101 -7.280 2.174 8.470 853 HB THR 101 HB THR 101 -4.575 1.883 7.079 854 HG1 THR 101 HG1 THR 101 -5.591 2.853 5.285 855 HG21 THR 101 3HG2 THR 101 -5.996 -0.145 7.169 856 HG22 THR 101 1HG2 THR 101 -5.853 0.475 5.523 857 HG23 THR 101 2HG2 THR 101 -7.329 0.760 6.446 858 H LYS 102 H LYS 102 -7.322 1.204 10.445 859 HA LYS 102 HA LYS 102 -4.924 -0.210 11.456 860 HB2 LYS 102 2HB LYS 102 -7.616 0.384 12.771 861 HB3 LYS 102 1HB LYS 102 -6.358 -0.599 13.512 862 HG2 LYS 102 2HG LYS 102 -4.858 1.324 13.593 863 HG3 LYS 102 1HG LYS 102 -6.047 2.319 12.752 864 HD2 LYS 102 2HD LYS 102 -6.172 2.891 15.080 865 HD3 LYS 102 1HD LYS 102 -7.623 1.963 14.707 866 HE2 LYS 102 2HE LYS 102 -5.150 0.739 15.994 867 HE3 LYS 102 1HE LYS 102 -6.479 1.424 16.924 868 HZ1 LYS 102 3HZ LYS 102 -7.965 -0.197 15.889 869 HZ2 LYS 102 1HZ LYS 102 -6.703 -0.948 16.730 870 HZ3 LYS 102 2HZ LYS 102 -6.659 -0.867 15.048 871 H LEU 103 H LEU 103 -5.216 -2.456 12.144 872 HA LEU 103 HA LEU 103 -6.800 -4.153 10.461 873 HB2 LEU 103 2HB LEU 103 -4.671 -4.946 11.414 874 HB3 LEU 103 1HB LEU 103 -5.272 -4.691 13.041 875 HG LEU 103 HG LEU 103 -7.006 -6.500 12.591 876 HD11 LEU 103 1HD1 LEU 103 -6.626 -8.098 10.790 877 HD12 LEU 103 2HD1 LEU 103 -5.324 -7.097 10.145 878 HD13 LEU 103 3HD1 LEU 103 -6.984 -6.496 10.151 879 HD21 LEU 103 3HD2 LEU 103 -4.100 -7.360 12.499 880 HD22 LEU 103 1HD2 LEU 103 -5.467 -8.362 12.992 881 HD23 LEU 103 2HD2 LEU 103 -5.027 -6.947 13.945 882 HA PRO 104 HA PRO 104 -10.631 -3.641 12.955 883 HB2 PRO 104 2HB PRO 104 -12.080 -5.678 11.770 884 HB3 PRO 104 1HB PRO 104 -11.871 -4.081 11.038 885 HG2 PRO 104 2HG PRO 104 -10.312 -6.618 10.514 886 HG3 PRO 104 1HG PRO 104 -11.008 -5.479 9.340 887 HD2 PRO 104 2HD PRO 104 -8.397 -5.383 9.950 888 HD3 PRO 104 1HD PRO 104 -9.314 -3.880 9.699 889 H LYS 105 H LYS 105 -12.119 -5.285 14.183 890 HA LYS 105 HA LYS 105 -10.550 -6.667 16.102 891 HB2 LYS 105 2HB LYS 105 -13.554 -6.486 15.669 892 HB3 LYS 105 1HB LYS 105 -12.867 -7.472 16.957 893 HG2 LYS 105 2HG LYS 105 -11.791 -5.463 17.922 894 HG3 LYS 105 1HG LYS 105 -12.488 -4.472 16.641 895 HD2 LYS 105 2HD LYS 105 -14.229 -6.109 18.520 896 HD3 LYS 105 1HD LYS 105 -13.663 -4.495 18.942 897 HE2 LYS 105 2HE LYS 105 -15.899 -4.312 18.041 898 HE3 LYS 105 1HE LYS 105 -14.772 -3.607 16.890 899 HZ1 LYS 105 3HZ LYS 105 -16.478 -4.965 15.837 900 HZ2 LYS 105 1HZ LYS 105 -15.933 -6.329 16.673 901 HZ3 LYS 105 2HZ LYS 105 -14.930 -5.573 15.540 902 H ALA 106 H ALA 106 -9.371 -8.134 14.987 903 HA ALA 106 HA ALA 106 -10.730 -10.692 14.351 904 HB1 ALA 106 3HB ALA 106 -8.106 -9.602 13.266 905 HB2 ALA 106 1HB ALA 106 -9.641 -9.684 12.391 906 HB3 ALA 106 2HB ALA 106 -8.825 -11.169 12.880 907 H ASP 107 H ASP 107 -9.079 -9.078 16.663 908 HA ASP 107 HA ASP 107 -8.330 -11.568 18.012 909 HB2 ASP 107 2HB ASP 107 -6.216 -10.534 17.150 910 HB3 ASP 107 1HB ASP 107 -6.600 -9.042 18.007 911 H LYS 108 H LYS 108 -8.830 -11.523 20.147 912 HA LYS 108 HA LYS 108 -10.826 -9.697 21.035 913 HB2 LYS 108 2HB LYS 108 -10.881 -11.050 23.136 914 HB3 LYS 108 1HB LYS 108 -11.070 -12.009 21.685 915 HG2 LYS 108 2HG LYS 108 -8.428 -11.814 23.164 916 HG3 LYS 108 1HG LYS 108 -9.666 -12.999 23.588 917 HD2 LYS 108 2HD LYS 108 -9.520 -13.979 21.329 918 HD3 LYS 108 1HD LYS 108 -8.321 -12.769 20.863 919 HE2 LYS 108 2HE LYS 108 -7.198 -14.862 21.383 920 HE3 LYS 108 1HE LYS 108 -6.787 -13.669 22.619 921 HZ1 LYS 108 3HZ LYS 108 -8.457 -14.669 24.057 922 HZ2 LYS 108 1HZ LYS 108 -7.295 -15.803 23.600 923 HZ3 LYS 108 2HZ LYS 108 -8.824 -15.819 22.878 924 H GLU 109 H GLU 109 -9.797 -7.674 21.025 925 HA GLU 109 HA GLU 109 -7.530 -7.199 22.804 926 HB2 GLU 109 2HB GLU 109 -8.954 -5.334 20.855 927 HB3 GLU 109 1HB GLU 109 -7.522 -4.912 21.801 928 HG2 GLU 109 2HG GLU 109 -6.341 -6.852 20.663 929 HG3 GLU 109 1HG GLU 109 -7.739 -6.976 19.591 930 H GLU 110 H GLU 110 -7.629 -6.164 24.678 931 HA GLU 110 HA GLU 110 -10.143 -5.463 25.925 932 HB2 GLU 110 2HB GLU 110 -7.304 -5.042 26.974 933 HB3 GLU 110 1HB GLU 110 -8.787 -5.050 27.925 934 HG2 GLU 110 2HG GLU 110 -7.503 -7.416 26.522 935 HG3 GLU 110 1HG GLU 110 -7.591 -7.131 28.260 936 H LEU 111 H LEU 111 -7.883 -3.861 23.948 937 HA LEU 111 HA LEU 111 -8.228 -1.140 24.681 938 HB2 LEU 111 2HB LEU 111 -7.932 -2.209 21.842 939 HB3 LEU 111 1HB LEU 111 -7.507 -0.601 22.419 940 HG LEU 111 HG LEU 111 -6.069 -3.208 23.055 941 HD11 LEU 111 1HD1 LEU 111 -5.636 -2.360 20.806 942 HD12 LEU 111 2HD1 LEU 111 -4.200 -2.242 21.817 943 HD13 LEU 111 3HD1 LEU 111 -5.150 -0.795 21.466 944 HD21 LEU 111 3HD2 LEU 111 -4.433 -1.866 24.311 945 HD22 LEU 111 1HD2 LEU 111 -6.033 -1.795 25.044 946 HD23 LEU 111 2HD2 LEU 111 -5.437 -0.429 24.101 947 H GLU 112 H GLU 112 -10.078 -3.425 22.787 948 HA GLU 112 HA GLU 112 -12.077 -1.535 21.844 949 HB2 GLU 112 2HB GLU 112 -11.777 -4.568 21.552 950 HB3 GLU 112 1HB GLU 112 -12.996 -3.594 20.729 951 HG2 GLU 112 2HG GLU 112 -9.988 -3.313 20.380 952 HG3 GLU 112 1HG GLU 112 -11.078 -4.128 19.258 953 H HIS 113 H HIS 113 -11.694 -2.461 24.830 954 HA HIS 113 HA HIS 113 -14.145 -3.618 25.654 955 HB2 HIS 113 2HB HIS 113 -12.141 -3.527 27.112 956 HB3 HIS 113 1HB HIS 113 -12.254 -1.774 27.191 957 HD1 HIS 113 HD1 HIS 113 -13.745 -4.903 28.584 958 HD2 HIS 113 HD2 HIS 113 -14.274 -0.801 28.947 959 HE1 HIS 113 HE1 HIS 113 -15.150 -4.583 30.636 960 HE2 HIS 113 HE2 HIS 113 -15.262 -2.094 30.956 961 H HIS 114 H HIS 114 -16.054 -2.715 25.055 962 HA HIS 114 HA HIS 114 -16.525 0.105 24.842 963 HB2 HIS 114 2HB HIS 114 -17.870 -1.676 23.612 964 HB3 HIS 114 1HB HIS 114 -18.646 -2.077 25.138 965 HD1 HIS 114 HD1 HIS 114 -18.845 0.217 22.291 966 HD2 HIS 114 HD2 HIS 114 -20.328 0.119 26.169 967 HE1 HIS 114 HE1 HIS 114 -20.701 1.904 22.338 968 HE2 HIS 114 HE2 HIS 114 -21.466 1.938 24.734 969 H HIS 115 H HIS 115 -17.688 1.448 26.295 970 HA HIS 115 HA HIS 115 -16.953 1.156 29.004 971 HB2 HIS 115 2HB HIS 115 -17.120 3.331 27.913 972 HB3 HIS 115 1HB HIS 115 -18.848 3.124 27.677 973 HD1 HIS 115 HD1 HIS 115 -20.379 3.776 29.560 974 HD2 HIS 115 HD2 HIS 115 -16.375 3.844 30.665 975 HE1 HIS 115 HE1 HIS 115 -20.327 4.895 31.808 976 HE2 HIS 115 HE2 HIS 115 -17.914 4.778 32.522 977 H HIS 116 H HIS 116 -17.856 -0.782 29.686 978 HA HIS 116 HA HIS 116 -20.311 -0.476 31.170 979 HB2 HIS 116 2HB HIS 116 -20.065 -2.585 28.999 980 HB3 HIS 116 1HB HIS 116 -20.954 -2.977 30.463 981 HD1 HIS 116 HD1 HIS 116 -23.118 -1.496 30.941 982 HD2 HIS 116 HD2 HIS 116 -21.510 -1.105 27.132 983 HE1 HIS 116 HE1 HIS 116 -24.923 -0.434 29.562 984 HE2 HIS 116 HE2 HIS 116 -23.867 -0.059 27.315 985 H HIS 117 H HIS 117 -19.138 -0.555 33.016 986 HA HIS 117 HA HIS 117 -16.962 -2.291 33.593 987 HB2 HIS 117 2HB HIS 117 -17.425 -0.093 34.769 988 HB3 HIS 117 1HB HIS 117 -18.769 -0.863 35.601 989 HD1 HIS 117 HD1 HIS 117 -18.002 -1.036 37.957 990 HD2 HIS 117 HD2 HIS 117 -15.023 -2.169 35.294 991 HE1 HIS 117 HE1 HIS 117 -16.079 -1.788 39.387 992 HE2 HIS 117 HE2 HIS 117 -14.217 -2.228 37.745 993 H HIS 118 H HIS 118 -20.445 -2.468 34.204 994 HA HIS 118 HA HIS 118 -20.187 -5.358 34.829 995 HB2 HIS 118 2HB HIS 118 -22.467 -3.403 35.399 996 HB3 HIS 118 1HB HIS 118 -22.616 -5.146 35.599 997 HD1 HIS 118 HD1 HIS 118 -21.106 -6.242 37.477 998 HD2 HIS 118 HD2 HIS 118 -21.247 -2.089 37.521 999 HE1 HIS 118 HE1 HIS 118 -20.244 -5.568 39.735 1000 HE2 HIS 118 HE2 HIS 118 -20.538 -3.070 39.804 Start of MODEL 17 1 H1 MET 1 1H MET 1 8.404 22.122 -14.374 2 H2 MET 1 2H MET 1 9.278 22.031 -15.814 3 H3 MET 1 3H MET 1 9.904 22.893 -14.504 4 HA MET 1 HA MET 1 11.009 20.791 -14.747 5 HB2 MET 1 2HB MET 1 9.186 20.836 -12.303 6 HB3 MET 1 1HB MET 1 10.718 19.977 -12.433 7 HG2 MET 1 2HG MET 1 10.319 22.976 -12.411 8 HG3 MET 1 1HG MET 1 11.050 21.985 -11.143 9 HE1 MET 1 3HE MET 1 13.196 23.728 -11.187 10 HE2 MET 1 1HE MET 1 12.389 24.630 -12.467 11 HE3 MET 1 2HE MET 1 14.062 24.105 -12.677 12 H GLU 2 H GLU 2 10.859 18.442 -14.543 13 HA GLU 2 HA GLU 2 8.865 17.336 -16.218 14 HB2 GLU 2 2HB GLU 2 10.920 15.904 -14.461 15 HB3 GLU 2 1HB GLU 2 10.010 15.179 -15.791 16 HG2 GLU 2 2HG GLU 2 11.142 16.655 -17.401 17 HG3 GLU 2 1HG GLU 2 12.011 17.454 -16.087 18 HA PRO 3 HA PRO 3 6.035 16.878 -12.677 19 HB2 PRO 3 2HB PRO 3 3.762 16.219 -14.012 20 HB3 PRO 3 1HB PRO 3 4.424 17.862 -14.046 21 HG2 PRO 3 2HG PRO 3 4.696 15.673 -16.115 22 HG3 PRO 3 1HG PRO 3 4.320 17.395 -16.355 23 HD2 PRO 3 2HD PRO 3 6.846 16.358 -16.689 24 HD3 PRO 3 1HD PRO 3 6.550 18.033 -16.180 25 H SER 4 H SER 4 5.433 15.133 -11.405 26 HA SER 4 HA SER 4 6.530 12.583 -12.003 27 HB2 SER 4 2HB SER 4 4.603 13.363 -9.771 28 HB3 SER 4 1HB SER 4 5.570 11.887 -9.828 29 HG SER 4 HG SER 4 7.364 13.025 -9.441 30 H LYS 5 H LYS 5 3.195 13.817 -11.731 31 HA LYS 5 HA LYS 5 1.118 13.011 -12.234 32 HB2 LYS 5 2HB LYS 5 2.550 11.917 -14.703 33 HB3 LYS 5 1HB LYS 5 0.823 12.231 -14.573 34 HG2 LYS 5 2HG LYS 5 3.049 14.297 -14.548 35 HG3 LYS 5 1HG LYS 5 1.928 13.979 -15.876 36 HD2 LYS 5 2HD LYS 5 1.214 15.116 -13.137 37 HD3 LYS 5 1HD LYS 5 1.297 16.016 -14.652 38 HE2 LYS 5 2HE LYS 5 -0.678 13.792 -14.012 39 HE3 LYS 5 1HE LYS 5 -1.037 15.519 -14.039 40 HZ1 LYS 5 3HZ LYS 5 -0.150 13.911 -16.379 41 HZ2 LYS 5 1HZ LYS 5 -0.533 15.555 -16.390 42 HZ3 LYS 5 2HZ LYS 5 -1.736 14.412 -16.078 43 H LEU 6 H LEU 6 2.365 11.478 -10.439 44 HA LEU 6 HA LEU 6 2.983 8.829 -11.343 45 HB2 LEU 6 2HB LEU 6 4.423 10.188 -9.847 46 HB3 LEU 6 1HB LEU 6 3.172 10.142 -8.610 47 HG LEU 6 HG LEU 6 3.482 7.701 -8.380 48 HD11 LEU 6 1HD1 LEU 6 5.653 7.985 -10.483 49 HD12 LEU 6 2HD1 LEU 6 4.130 7.104 -10.662 50 HD13 LEU 6 3HD1 LEU 6 5.343 6.542 -9.512 51 HD21 LEU 6 3HD2 LEU 6 4.788 9.212 -6.965 52 HD22 LEU 6 1HD2 LEU 6 6.069 9.272 -8.183 53 HD23 LEU 6 2HD2 LEU 6 5.712 7.760 -7.345 54 H SER 7 H SER 7 1.404 7.369 -11.507 55 HA SER 7 HA SER 7 -0.813 7.118 -9.715 56 HB2 SER 7 2HB SER 7 -0.979 4.801 -10.897 57 HB3 SER 7 1HB SER 7 -1.216 6.246 -11.880 58 HG SER 7 HG SER 7 0.454 4.361 -12.367 59 H TYR 8 H TYR 8 -1.087 5.545 -8.092 60 HA TYR 8 HA TYR 8 1.098 5.334 -6.355 61 HB2 TYR 8 2HB TYR 8 -1.256 5.438 -5.614 62 HB3 TYR 8 1HB TYR 8 -1.545 3.831 -6.269 63 HD1 TYR 8 HD1 TYR 8 1.213 5.245 -4.126 64 HD2 TYR 8 HD2 TYR 8 -1.895 2.337 -4.459 65 HE1 TYR 8 HE1 TYR 8 1.853 4.319 -1.949 66 HE2 TYR 8 HE2 TYR 8 -1.257 1.415 -2.273 67 HH TYR 8 HH TYR 8 0.878 1.336 -0.885 68 H GLY 9 H GLY 9 -0.202 3.023 -8.693 69 HA2 GLY 9 2HA GLY 9 1.145 0.680 -7.802 70 HA3 GLY 9 1HA GLY 9 0.528 0.965 -9.426 71 H GLU 10 H GLU 10 2.065 3.240 -10.090 72 HA GLU 10 HA GLU 10 4.593 2.110 -10.836 73 HB2 GLU 10 2HB GLU 10 3.452 4.920 -11.081 74 HB3 GLU 10 1HB GLU 10 5.008 4.443 -11.764 75 HG2 GLU 10 2HG GLU 10 2.297 3.290 -12.512 76 HG3 GLU 10 1HG GLU 10 3.212 4.468 -13.451 77 H TYR 11 H TYR 11 3.463 4.271 -8.297 78 HA TYR 11 HA TYR 11 6.005 5.131 -7.351 79 HB2 TYR 11 2HB TYR 11 3.979 6.353 -6.687 80 HB3 TYR 11 1HB TYR 11 3.341 4.922 -5.876 81 HD1 TYR 11 HD1 TYR 11 6.508 6.963 -5.850 82 HD2 TYR 11 HD2 TYR 11 3.568 4.910 -3.522 83 HE1 TYR 11 HE1 TYR 11 7.689 7.599 -3.805 84 HE2 TYR 11 HE2 TYR 11 4.750 5.562 -1.472 85 HH TYR 11 HH TYR 11 7.200 7.903 -1.443 86 H LEU 12 H LEU 12 3.922 2.376 -6.623 87 HA LEU 12 HA LEU 12 5.240 1.336 -4.370 88 HB2 LEU 12 2HB LEU 12 3.556 0.005 -6.506 89 HB3 LEU 12 1HB LEU 12 4.168 -0.878 -5.114 90 HG LEU 12 HG LEU 12 2.356 1.555 -4.899 91 HD11 LEU 12 1HD1 LEU 12 1.609 -1.373 -4.721 92 HD12 LEU 12 2HD1 LEU 12 1.161 -0.252 -6.009 93 HD13 LEU 12 3HD1 LEU 12 0.549 -0.002 -4.377 94 HD21 LEU 12 3HD2 LEU 12 3.243 -0.468 -2.812 95 HD22 LEU 12 1HD2 LEU 12 2.052 0.813 -2.559 96 HD23 LEU 12 2HD2 LEU 12 3.728 1.227 -2.904 97 H GLU 13 H GLU 13 5.910 1.016 -7.803 98 HA GLU 13 HA GLU 13 7.779 -1.112 -7.702 99 HB2 GLU 13 2HB GLU 13 7.668 1.215 -9.668 100 HB3 GLU 13 1HB GLU 13 8.497 -0.320 -9.926 101 HG2 GLU 13 2HG GLU 13 5.504 0.097 -9.658 102 HG3 GLU 13 1HG GLU 13 6.377 -0.250 -11.147 103 H SER 14 H SER 14 8.228 2.423 -7.655 104 HA SER 14 HA SER 14 11.079 2.411 -7.498 105 HB2 SER 14 2HB SER 14 9.095 4.608 -6.763 106 HB3 SER 14 1HB SER 14 10.822 4.834 -7.052 107 HG SER 14 HG SER 14 9.411 5.287 -8.864 108 H TRP 15 H TRP 15 8.536 2.911 -5.091 109 HA TRP 15 HA TRP 15 10.037 3.314 -2.774 110 HB2 TRP 15 2HB TRP 15 7.658 3.800 -2.778 111 HB3 TRP 15 1HB TRP 15 7.257 2.147 -3.230 112 HD1 TRP 15 HD1 TRP 15 8.481 4.181 -0.173 113 HE1 TRP 15 HE1 TRP 15 7.947 2.841 1.953 114 HE3 TRP 15 HE3 TRP 15 6.820 -0.156 -2.322 115 HZ2 TRP 15 HZ2 TRP 15 6.992 0.288 2.636 116 HZ3 TRP 15 HZ3 TRP 15 6.136 -2.011 -0.855 117 HH2 TRP 15 HH2 TRP 15 6.221 -1.787 1.582 118 H PHE 16 H PHE 16 8.794 0.354 -4.271 119 HA PHE 16 HA PHE 16 9.461 -1.525 -2.330 120 HB2 PHE 16 2HB PHE 16 7.969 -2.059 -4.186 121 HB3 PHE 16 1HB PHE 16 9.265 -1.825 -5.355 122 HD1 PHE 16 HD2 PHE 16 8.504 -3.854 -2.301 123 HD2 PHE 16 HD1 PHE 16 10.308 -3.747 -6.173 124 HE1 PHE 16 HE2 PHE 16 9.088 -6.209 -2.108 125 HE2 PHE 16 HE1 PHE 16 10.881 -6.120 -5.969 126 HZ PHE 16 HZ PHE 16 10.270 -7.352 -3.934 127 H ASN 17 H ASN 17 11.359 -0.404 -5.123 128 HA ASN 17 HA ASN 17 13.477 -2.202 -5.121 129 HB2 ASN 17 2HB ASN 17 13.533 0.752 -5.864 130 HB3 ASN 17 1HB ASN 17 14.784 -0.408 -6.305 131 HD21 ASN 17 1HD2 ASN 17 13.107 1.239 -7.989 132 HD22 ASN 17 2HD2 ASN 17 12.253 0.165 -9.039 133 H THR 18 H THR 18 13.232 0.875 -3.339 134 HA THR 18 HA THR 18 15.815 0.546 -2.066 135 HB THR 18 HB THR 18 15.027 2.808 -2.644 136 HG1 THR 18 HG1 THR 18 16.381 3.116 -1.052 137 HG21 THR 18 3HG2 THR 18 12.597 2.557 -2.239 138 HG22 THR 18 1HG2 THR 18 13.257 3.940 -1.361 139 HG23 THR 18 2HG2 THR 18 12.899 2.440 -0.503 140 H LYS 19 H LYS 19 12.518 -0.380 -1.326 141 HA LYS 19 HA LYS 19 12.789 -0.471 1.542 142 HB2 LYS 19 2HB LYS 19 10.606 -0.048 0.419 143 HB3 LYS 19 1HB LYS 19 10.641 -1.662 -0.274 144 HG2 LYS 19 2HG LYS 19 9.125 -1.514 1.668 145 HG3 LYS 19 1HG LYS 19 10.433 -2.664 1.946 146 HD2 LYS 19 2HD LYS 19 10.001 -1.291 3.965 147 HD3 LYS 19 1HD LYS 19 11.628 -1.017 3.338 148 HE2 LYS 19 2HE LYS 19 10.813 1.076 2.245 149 HE3 LYS 19 1HE LYS 19 9.222 0.811 2.965 150 HZ1 LYS 19 3HZ LYS 19 10.524 2.360 4.246 151 HZ2 LYS 19 1HZ LYS 19 11.758 1.225 4.447 152 HZ3 LYS 19 2HZ LYS 19 10.242 0.963 5.147 153 H ARG 20 H ARG 20 13.315 -2.713 -1.109 154 HA ARG 20 HA ARG 20 13.307 -5.200 0.162 155 HB2 ARG 20 2HB ARG 20 15.291 -4.331 -1.976 156 HB3 ARG 20 1HB ARG 20 14.794 -5.986 -1.616 157 HG2 ARG 20 2HG ARG 20 12.476 -5.388 -2.353 158 HG3 ARG 20 1HG ARG 20 13.075 -3.790 -2.793 159 HD2 ARG 20 2HD ARG 20 12.981 -5.122 -4.786 160 HD3 ARG 20 1HD ARG 20 14.677 -4.877 -4.374 161 HE ARG 20 HE ARG 20 13.253 -7.370 -3.646 162 HH11 ARG 20 1HH1 ARG 20 16.000 -5.816 -5.181 163 HH12 ARG 20 2HH1 ARG 20 16.711 -7.317 -5.674 164 HH21 ARG 20 1HH2 ARG 20 14.195 -9.300 -4.263 165 HH22 ARG 20 2HH2 ARG 20 15.690 -9.301 -5.143 166 H HIS 21 H HIS 21 15.650 -2.638 0.330 167 HA HIS 21 HA HIS 21 17.855 -4.122 1.393 168 HB2 HIS 21 2HB HIS 21 17.314 -1.120 1.394 169 HB3 HIS 21 1HB HIS 21 18.848 -1.866 1.844 170 HD1 HIS 21 HD1 HIS 21 20.499 -1.850 0.004 171 HD2 HIS 21 HD2 HIS 21 16.609 -1.983 -1.444 172 HE1 HIS 21 HE1 HIS 21 20.710 -1.761 -2.494 173 HE2 HIS 21 HE2 HIS 21 18.338 -1.604 -3.328 174 H SER 22 H SER 22 14.983 -2.791 2.792 175 HA SER 22 HA SER 22 16.013 -2.776 5.549 176 HB2 SER 22 2HB SER 22 13.252 -2.009 4.460 177 HB3 SER 22 1HB SER 22 13.806 -1.791 6.130 178 HG SER 22 HG SER 22 15.490 -0.442 5.243 179 H VAL 23 H VAL 23 13.275 -4.176 3.703 180 HA VAL 23 HA VAL 23 12.461 -5.907 5.852 181 HB VAL 23 HB VAL 23 10.708 -6.715 4.314 182 HG11 VAL 23 1HG1 VAL 23 9.509 -4.587 3.940 183 HG12 VAL 23 2HG1 VAL 23 11.003 -3.682 4.204 184 HG13 VAL 23 3HG1 VAL 23 10.289 -4.612 5.525 185 HG21 VAL 23 3HG2 VAL 23 12.073 -5.043 2.151 186 HG22 VAL 23 1HG2 VAL 23 10.499 -5.833 1.989 187 HG23 VAL 23 2HG2 VAL 23 11.956 -6.803 2.191 188 H GLY 24 H GLY 24 14.458 -6.291 3.000 189 HA2 GLY 24 2HA GLY 24 16.158 -8.004 2.910 190 HA3 GLY 24 1HA GLY 24 15.053 -9.115 3.718 191 H ILE 25 H ILE 25 16.393 -9.603 1.226 192 HA ILE 25 HA ILE 25 14.985 -8.932 -1.115 193 HB ILE 25 HB ILE 25 16.850 -11.281 -0.554 194 HG12 ILE 25 2HG1 ILE 25 17.942 -9.085 -0.247 195 HG13 ILE 25 1HG1 ILE 25 18.604 -9.903 -1.655 196 HG21 ILE 25 1HG2 ILE 25 15.519 -11.856 -2.524 197 HG22 ILE 25 2HG2 ILE 25 17.177 -11.501 -3.006 198 HG23 ILE 25 3HG2 ILE 25 15.909 -10.306 -3.278 199 HD11 ILE 25 3HD1 ILE 25 18.326 -7.548 -2.074 200 HD12 ILE 25 1HD1 ILE 25 16.606 -7.643 -1.677 201 HD13 ILE 25 2HD1 ILE 25 17.234 -8.475 -3.107 202 H GLN 26 H GLN 26 14.771 -11.849 0.912 203 HA GLN 26 HA GLN 26 12.952 -13.248 -0.793 204 HB2 GLN 26 2HB GLN 26 12.789 -14.899 1.007 205 HB3 GLN 26 1HB GLN 26 14.465 -14.460 0.701 206 HG2 GLN 26 2HG GLN 26 14.412 -12.995 2.727 207 HG3 GLN 26 1HG GLN 26 12.756 -13.514 3.027 208 HE21 GLN 26 1HE2 GLN 26 15.371 -15.639 1.904 209 HE22 GLN 26 2HE2 GLN 26 15.437 -16.587 3.342 210 H THR 27 H THR 27 12.508 -11.469 2.272 211 HA THR 27 HA THR 27 9.728 -11.658 2.548 212 HB THR 27 HB THR 27 11.589 -9.393 3.399 213 HG1 THR 27 HG1 THR 27 10.614 -11.504 5.024 214 HG21 THR 27 3HG2 THR 27 9.243 -8.634 3.530 215 HG22 THR 27 1HG2 THR 27 9.913 -8.874 5.146 216 HG23 THR 27 2HG2 THR 27 8.814 -10.074 4.461 217 H ALA 28 H ALA 28 11.713 -9.492 0.643 218 HA ALA 28 HA ALA 28 9.789 -7.502 -0.017 219 HB1 ALA 28 3HB ALA 28 12.318 -8.333 -1.480 220 HB2 ALA 28 1HB ALA 28 12.221 -7.137 -0.187 221 HB3 ALA 28 2HB ALA 28 11.430 -6.828 -1.734 222 H LYS 29 H LYS 29 10.951 -10.429 -1.647 223 HA LYS 29 HA LYS 29 9.571 -10.318 -4.067 224 HB2 LYS 29 2HB LYS 29 11.433 -11.878 -3.438 225 HB3 LYS 29 1HB LYS 29 10.328 -12.773 -2.410 226 HG2 LYS 29 2HG LYS 29 9.878 -12.516 -5.405 227 HG3 LYS 29 1HG LYS 29 10.948 -13.748 -4.735 228 HD2 LYS 29 2HD LYS 29 7.954 -13.457 -4.232 229 HD3 LYS 29 1HD LYS 29 8.748 -14.714 -5.186 230 HE2 LYS 29 2HE LYS 29 9.853 -15.557 -3.127 231 HE3 LYS 29 1HE LYS 29 9.054 -14.293 -2.183 232 HZ1 LYS 29 3HZ LYS 29 7.672 -16.438 -3.700 233 HZ2 LYS 29 1HZ LYS 29 6.937 -15.255 -2.743 234 HZ3 LYS 29 2HZ LYS 29 7.929 -16.417 -2.028 235 H VAL 30 H VAL 30 8.534 -11.376 -0.883 236 HA VAL 30 HA VAL 30 6.029 -12.550 -1.634 237 HB VAL 30 HB VAL 30 6.855 -11.516 1.123 238 HG11 VAL 30 1HG1 VAL 30 5.225 -13.175 1.985 239 HG12 VAL 30 2HG1 VAL 30 4.779 -13.595 0.330 240 HG13 VAL 30 3HG1 VAL 30 4.445 -11.979 0.948 241 HG21 VAL 30 3HG2 VAL 30 7.295 -14.281 -0.072 242 HG22 VAL 30 1HG2 VAL 30 7.616 -13.828 1.605 243 HG23 VAL 30 2HG2 VAL 30 8.548 -13.097 0.299 244 H LEU 31 H LEU 31 7.031 -9.381 -0.344 245 HA LEU 31 HA LEU 31 4.470 -8.217 0.011 246 HB2 LEU 31 2HB LEU 31 7.116 -6.793 -0.489 247 HB3 LEU 31 1HB LEU 31 5.656 -6.040 0.136 248 HG LEU 31 HG LEU 31 7.398 -8.095 1.553 249 HD11 LEU 31 1HD1 LEU 31 8.338 -5.839 1.530 250 HD12 LEU 31 2HD1 LEU 31 7.852 -6.306 3.157 251 HD13 LEU 31 3HD1 LEU 31 6.849 -5.185 2.226 252 HD21 LEU 31 3HD2 LEU 31 4.796 -6.876 2.547 253 HD22 LEU 31 1HD2 LEU 31 5.895 -7.883 3.496 254 HD23 LEU 31 2HD2 LEU 31 5.059 -8.565 2.104 255 H LYS 32 H LYS 32 6.693 -8.277 -2.749 256 HA LYS 32 HA LYS 32 5.328 -6.380 -4.393 257 HB2 LYS 32 2HB LYS 32 7.738 -7.103 -4.699 258 HB3 LYS 32 1HB LYS 32 7.156 -8.642 -5.318 259 HG2 LYS 32 2HG LYS 32 5.998 -7.401 -7.165 260 HG3 LYS 32 1HG LYS 32 6.697 -5.899 -6.548 261 HD2 LYS 32 2HD LYS 32 8.982 -6.862 -6.945 262 HD3 LYS 32 1HD LYS 32 8.229 -8.291 -7.661 263 HE2 LYS 32 2HE LYS 32 8.960 -6.742 -9.415 264 HE3 LYS 32 1HE LYS 32 7.200 -6.854 -9.405 265 HZ1 LYS 32 3HZ LYS 32 7.873 -4.578 -9.650 266 HZ2 LYS 32 1HZ LYS 32 8.840 -4.654 -8.260 267 HZ3 LYS 32 2HZ LYS 32 7.160 -4.765 -8.130 268 H GLY 33 H GLY 33 5.216 -9.880 -4.014 269 HA2 GLY 33 2HA GLY 33 3.442 -10.641 -6.023 270 HA3 GLY 33 1HA GLY 33 3.580 -11.428 -4.457 271 H TYR 34 H TYR 34 2.790 -9.177 -2.875 272 HA TYR 34 HA TYR 34 -0.097 -9.394 -3.056 273 HB2 TYR 34 2HB TYR 34 1.653 -7.783 -1.158 274 HB3 TYR 34 1HB TYR 34 -0.085 -8.012 -0.989 275 HD1 TYR 34 HD2 TYR 34 -0.409 -10.899 -1.535 276 HD2 TYR 34 HD1 TYR 34 2.600 -8.847 0.706 277 HE1 TYR 34 HE2 TYR 34 -0.018 -12.922 -0.209 278 HE2 TYR 34 HE1 TYR 34 2.979 -10.866 2.037 279 HH TYR 34 HH TYR 34 1.779 -13.908 1.141 280 H LEU 35 H LEU 35 2.392 -6.996 -3.781 281 HA LEU 35 HA LEU 35 0.811 -4.680 -3.871 282 HB2 LEU 35 2HB LEU 35 3.377 -5.387 -5.350 283 HB3 LEU 35 1HB LEU 35 2.607 -3.811 -5.512 284 HG LEU 35 HG LEU 35 3.717 -5.000 -2.933 285 HD11 LEU 35 1HD1 LEU 35 5.339 -3.158 -3.014 286 HD12 LEU 35 2HD1 LEU 35 4.685 -2.634 -4.569 287 HD13 LEU 35 3HD1 LEU 35 5.482 -4.204 -4.427 288 HD21 LEU 35 3HD2 LEU 35 3.158 -2.807 -1.922 289 HD22 LEU 35 1HD2 LEU 35 1.738 -3.730 -2.398 290 HD23 LEU 35 2HD2 LEU 35 2.282 -2.373 -3.384 291 H ASN 36 H ASN 36 1.742 -6.871 -6.516 292 HA ASN 36 HA ASN 36 0.143 -5.528 -8.475 293 HB2 ASN 36 2HB ASN 36 1.456 -8.269 -8.571 294 HB3 ASN 36 1HB ASN 36 0.733 -7.444 -9.954 295 HD21 ASN 36 1HD2 ASN 36 3.478 -7.652 -7.872 296 HD22 ASN 36 2HD2 ASN 36 4.444 -6.462 -8.666 297 H SER 37 H SER 37 -0.389 -8.335 -6.392 298 HA SER 37 HA SER 37 -2.709 -9.350 -7.725 299 HB2 SER 37 2HB SER 37 -1.391 -10.828 -6.318 300 HB3 SER 37 1HB SER 37 -1.611 -9.785 -4.910 301 HG SER 37 HG SER 37 -3.011 -11.589 -4.884 302 H ARG 38 H ARG 38 -2.270 -7.353 -4.809 303 HA ARG 38 HA ARG 38 -5.171 -7.130 -4.435 304 HB2 ARG 38 2HB ARG 38 -2.885 -6.514 -2.526 305 HB3 ARG 38 1HB ARG 38 -4.590 -6.295 -2.143 306 HG2 ARG 38 2HG ARG 38 -3.269 -8.962 -2.795 307 HG3 ARG 38 1HG ARG 38 -3.649 -8.379 -1.173 308 HD2 ARG 38 2HD ARG 38 -5.390 -9.911 -1.762 309 HD3 ARG 38 1HD ARG 38 -6.102 -8.302 -1.892 310 HE ARG 38 HE ARG 38 -5.087 -9.753 -4.269 311 HH11 ARG 38 1HH1 ARG 38 -7.760 -8.144 -2.655 312 HH12 ARG 38 2HH1 ARG 38 -8.779 -8.185 -4.052 313 HH21 ARG 38 1HH2 ARG 38 -6.424 -9.735 -6.104 314 HH22 ARG 38 2HH2 ARG 38 -8.023 -9.073 -5.999 315 H ILE 39 H ILE 39 -2.284 -4.980 -4.408 316 HA ILE 39 HA ILE 39 -3.987 -2.692 -3.959 317 HB ILE 39 HB ILE 39 -0.959 -2.744 -4.367 318 HG12 ILE 39 2HG1 ILE 39 -0.989 -2.130 -1.822 319 HG13 ILE 39 1HG1 ILE 39 -2.656 -2.693 -1.819 320 HG21 ILE 39 1HG2 ILE 39 -1.016 -0.426 -3.457 321 HG22 ILE 39 2HG2 ILE 39 -2.777 -0.475 -3.483 322 HG23 ILE 39 3HG2 ILE 39 -1.870 -0.576 -4.991 323 HD11 ILE 39 3HD1 ILE 39 -0.180 -4.310 -2.386 324 HD12 ILE 39 1HD1 ILE 39 -1.830 -4.930 -2.502 325 HD13 ILE 39 2HD1 ILE 39 -1.200 -4.374 -0.951 326 H ILE 40 H ILE 40 -2.048 -3.889 -6.743 327 HA ILE 40 HA ILE 40 -2.094 -1.556 -8.280 328 HB ILE 40 HB ILE 40 -1.348 -4.371 -8.835 329 HG12 ILE 40 2HG1 ILE 40 0.655 -3.338 -9.859 330 HG13 ILE 40 1HG1 ILE 40 -0.094 -1.753 -9.790 331 HG21 ILE 40 1HG2 ILE 40 -2.894 -4.145 -10.722 332 HG22 ILE 40 2HG2 ILE 40 -1.224 -4.169 -11.297 333 HG23 ILE 40 3HG2 ILE 40 -2.107 -2.639 -11.218 334 HD11 ILE 40 3HD1 ILE 40 -0.007 -1.850 -7.336 335 HD12 ILE 40 1HD1 ILE 40 1.579 -1.978 -8.092 336 HD13 ILE 40 2HD1 ILE 40 0.794 -3.417 -7.449 337 HA PRO 41 HA PRO 41 -6.202 -2.955 -10.475 338 HB2 PRO 41 2HB PRO 41 -7.828 -4.779 -9.248 339 HB3 PRO 41 1HB PRO 41 -6.563 -5.250 -10.396 340 HG2 PRO 41 2HG PRO 41 -6.476 -5.237 -7.374 341 HG3 PRO 41 1HG PRO 41 -5.958 -6.514 -8.499 342 HD2 PRO 41 2HD PRO 41 -4.180 -4.796 -7.381 343 HD3 PRO 41 1HD PRO 41 -3.960 -5.417 -9.034 344 H SER 42 H SER 42 -5.838 -2.516 -7.024 345 HA SER 42 HA SER 42 -8.521 -1.332 -6.697 346 HB2 SER 42 2HB SER 42 -7.872 -3.029 -5.051 347 HB3 SER 42 1HB SER 42 -6.414 -2.127 -4.640 348 HG SER 42 HG SER 42 -9.106 -1.528 -4.061 349 H LEU 43 H LEU 43 -5.334 -0.457 -5.300 350 HA LEU 43 HA LEU 43 -6.000 2.398 -5.416 351 HB2 LEU 43 2HB LEU 43 -3.759 1.012 -3.903 352 HB3 LEU 43 1HB LEU 43 -4.258 2.687 -3.716 353 HG LEU 43 HG LEU 43 -5.948 0.256 -2.957 354 HD11 LEU 43 1HD1 LEU 43 -4.007 0.463 -1.486 355 HD12 LEU 43 2HD1 LEU 43 -5.490 0.863 -0.625 356 HD13 LEU 43 3HD1 LEU 43 -4.402 2.153 -1.154 357 HD21 LEU 43 3HD2 LEU 43 -6.468 3.217 -2.448 358 HD22 LEU 43 1HD2 LEU 43 -7.451 1.872 -1.856 359 HD23 LEU 43 2HD2 LEU 43 -7.344 2.186 -3.585 360 H GLY 44 H GLY 44 -4.093 0.144 -7.094 361 HA2 GLY 44 2HA GLY 44 -1.726 1.700 -7.570 362 HA3 GLY 44 1HA GLY 44 -2.187 0.210 -8.385 363 H ASN 45 H ASN 45 -4.566 0.843 -9.548 364 HA ASN 45 HA ASN 45 -4.038 2.397 -11.814 365 HB2 ASN 45 2HB ASN 45 -5.794 0.703 -11.815 366 HB3 ASN 45 1HB ASN 45 -6.662 1.536 -10.536 367 HD21 ASN 45 1HD2 ASN 45 -5.837 1.619 -13.961 368 HD22 ASN 45 2HD2 ASN 45 -7.096 2.714 -14.422 369 H ILE 46 H ILE 46 -5.342 3.277 -8.679 370 HA ILE 46 HA ILE 46 -6.212 5.924 -9.274 371 HB ILE 46 HB ILE 46 -5.320 4.772 -6.586 372 HG12 ILE 46 2HG1 ILE 46 -8.140 4.875 -7.764 373 HG13 ILE 46 1HG1 ILE 46 -7.155 3.422 -7.613 374 HG21 ILE 46 1HG2 ILE 46 -6.695 6.539 -5.558 375 HG22 ILE 46 2HG2 ILE 46 -7.092 7.173 -7.156 376 HG23 ILE 46 3HG2 ILE 46 -5.429 7.236 -6.572 377 HD11 ILE 46 3HD1 ILE 46 -8.803 3.488 -5.868 378 HD12 ILE 46 1HD1 ILE 46 -8.265 5.085 -5.354 379 HD13 ILE 46 2HD1 ILE 46 -7.206 3.691 -5.154 380 H LYS 47 H LYS 47 -5.107 7.872 -9.078 381 HA LYS 47 HA LYS 47 -2.250 7.870 -9.254 382 HB2 LYS 47 2HB LYS 47 -4.058 10.294 -8.876 383 HB3 LYS 47 1HB LYS 47 -2.423 10.276 -9.532 384 HG2 LYS 47 2HG LYS 47 -4.948 9.197 -10.829 385 HG3 LYS 47 1HG LYS 47 -3.986 10.579 -11.353 386 HD2 LYS 47 2HD LYS 47 -2.982 7.699 -11.343 387 HD3 LYS 47 1HD LYS 47 -3.698 8.488 -12.748 388 HE2 LYS 47 2HE LYS 47 -1.214 9.501 -11.326 389 HE3 LYS 47 1HE LYS 47 -1.190 8.442 -12.736 390 HZ1 LYS 47 3HZ LYS 47 -2.377 10.157 -13.983 391 HZ2 LYS 47 1HZ LYS 47 -0.896 10.720 -13.388 392 HZ3 LYS 47 2HZ LYS 47 -2.336 11.180 -12.634 393 H LEU 48 H LEU 48 -0.786 8.713 -7.740 394 HA LEU 48 HA LEU 48 -1.081 7.812 -5.130 395 HB2 LEU 48 2HB LEU 48 1.079 7.990 -6.223 396 HB3 LEU 48 1HB LEU 48 0.925 9.734 -6.350 397 HG LEU 48 HG LEU 48 1.180 9.971 -3.905 398 HD11 LEU 48 1HD1 LEU 48 1.752 8.064 -2.472 399 HD12 LEU 48 2HD1 LEU 48 1.470 6.958 -3.814 400 HD13 LEU 48 3HD1 LEU 48 0.133 7.897 -3.148 401 HD21 LEU 48 3HD2 LEU 48 3.194 9.996 -5.300 402 HD22 LEU 48 1HD2 LEU 48 3.357 8.246 -5.129 403 HD23 LEU 48 2HD2 LEU 48 3.531 9.297 -3.720 404 H ALA 49 H ALA 49 -1.306 11.132 -6.379 405 HA ALA 49 HA ALA 49 -1.701 12.430 -3.863 406 HB1 ALA 49 3HB ALA 49 -2.248 14.415 -5.201 407 HB2 ALA 49 1HB ALA 49 -2.360 13.418 -6.659 408 HB3 ALA 49 2HB ALA 49 -0.813 13.607 -5.834 409 H LYS 50 H LYS 50 -3.832 10.710 -5.988 410 HA LYS 50 HA LYS 50 -6.314 11.869 -5.020 411 HB2 LYS 50 2HB LYS 50 -5.746 9.463 -6.791 412 HB3 LYS 50 1HB LYS 50 -7.375 9.981 -6.357 413 HG2 LYS 50 2HG LYS 50 -5.345 11.617 -7.909 414 HG3 LYS 50 1HG LYS 50 -6.725 10.753 -8.596 415 HD2 LYS 50 2HD LYS 50 -8.257 12.204 -7.242 416 HD3 LYS 50 1HD LYS 50 -6.852 13.100 -6.652 417 HE2 LYS 50 2HE LYS 50 -6.326 13.738 -9.008 418 HE3 LYS 50 1HE LYS 50 -7.789 12.899 -9.532 419 HZ1 LYS 50 3HZ LYS 50 -7.670 15.225 -7.704 420 HZ2 LYS 50 1HZ LYS 50 -9.079 14.404 -8.157 421 HZ3 LYS 50 2HZ LYS 50 -8.174 15.234 -9.317 422 H LEU 51 H LEU 51 -4.167 9.436 -3.817 423 HA LEU 51 HA LEU 51 -6.055 7.757 -2.500 424 HB2 LEU 51 2HB LEU 51 -3.102 8.231 -2.150 425 HB3 LEU 51 1HB LEU 51 -3.959 7.482 -0.816 426 HG LEU 51 HG LEU 51 -4.758 5.694 -2.445 427 HD11 LEU 51 1HD1 LEU 51 -2.655 6.870 -4.278 428 HD12 LEU 51 2HD1 LEU 51 -4.398 6.896 -4.552 429 HD13 LEU 51 3HD1 LEU 51 -3.537 5.358 -4.529 430 HD21 LEU 51 3HD2 LEU 51 -1.767 5.895 -2.003 431 HD22 LEU 51 1HD2 LEU 51 -2.677 4.416 -2.327 432 HD23 LEU 51 2HD2 LEU 51 -2.942 5.307 -0.827 433 H THR 52 H THR 52 -7.623 9.042 -1.609 434 HA THR 52 HA THR 52 -6.982 10.684 0.732 435 HB THR 52 HB THR 52 -8.681 11.466 -0.974 436 HG1 THR 52 HG1 THR 52 -8.828 12.376 1.025 437 HG21 THR 52 3HG2 THR 52 -10.430 9.260 0.166 438 HG22 THR 52 1HG2 THR 52 -9.776 9.302 -1.474 439 HG23 THR 52 2HG2 THR 52 -10.944 10.520 -0.959 440 H SER 53 H SER 53 -8.620 10.242 2.640 441 HA SER 53 HA SER 53 -7.823 7.739 3.745 442 HB2 SER 53 2HB SER 53 -8.178 9.903 5.031 443 HB3 SER 53 1HB SER 53 -9.914 9.632 4.887 444 HG SER 53 HG SER 53 -9.678 7.743 6.082 445 H LEU 54 H LEU 54 -10.728 8.756 2.080 446 HA LEU 54 HA LEU 54 -12.507 6.685 2.796 447 HB2 LEU 54 2HB LEU 54 -13.248 8.690 1.584 448 HB3 LEU 54 1HB LEU 54 -12.279 8.240 0.193 449 HG LEU 54 HG LEU 54 -13.734 6.234 -0.162 450 HD11 LEU 54 1HD1 LEU 54 -15.434 7.353 2.084 451 HD12 LEU 54 2HD1 LEU 54 -14.509 5.850 2.113 452 HD13 LEU 54 3HD1 LEU 54 -15.874 6.017 1.016 453 HD21 LEU 54 3HD2 LEU 54 -15.253 8.861 -0.109 454 HD22 LEU 54 1HD2 LEU 54 -15.700 7.423 -1.032 455 HD23 LEU 54 2HD2 LEU 54 -14.210 8.282 -1.410 456 H HIS 55 H HIS 55 -9.950 6.830 0.350 457 HA HIS 55 HA HIS 55 -10.469 4.381 -1.017 458 HB2 HIS 55 2HB HIS 55 -7.886 5.985 -0.739 459 HB3 HIS 55 1HB HIS 55 -8.046 4.581 -1.792 460 HD1 HIS 55 HD1 HIS 55 -7.380 6.303 -3.702 461 HD2 HIS 55 HD2 HIS 55 -11.086 6.946 -1.943 462 HE1 HIS 55 HE1 HIS 55 -8.622 7.810 -5.280 463 HE2 HIS 55 HE2 HIS 55 -10.854 8.195 -4.190 464 H MET 56 H MET 56 -8.730 5.223 1.847 465 HA MET 56 HA MET 56 -7.281 2.808 2.275 466 HB2 MET 56 2HB MET 56 -8.103 5.031 4.184 467 HB3 MET 56 1HB MET 56 -6.935 3.767 4.553 468 HG2 MET 56 2HG MET 56 -6.629 5.844 2.376 469 HG3 MET 56 1HG MET 56 -5.877 5.904 3.960 470 HE1 MET 56 3HE MET 56 -6.078 3.640 0.643 471 HE2 MET 56 1HE MET 56 -4.354 3.625 0.309 472 HE3 MET 56 2HE MET 56 -5.233 5.159 0.359 473 H GLN 57 H GLN 57 -10.258 4.162 3.674 474 HA GLN 57 HA GLN 57 -10.928 2.059 5.415 475 HB2 GLN 57 2HB GLN 57 -11.954 4.302 5.573 476 HB3 GLN 57 1HB GLN 57 -12.753 4.073 4.026 477 HG2 GLN 57 2HG GLN 57 -14.315 3.774 5.899 478 HG3 GLN 57 1HG GLN 57 -14.139 2.276 4.981 479 HE21 GLN 57 1HE2 GLN 57 -13.084 0.494 5.963 480 HE22 GLN 57 2HE2 GLN 57 -12.805 0.425 7.669 481 H ASN 58 H ASN 58 -11.944 2.736 2.079 482 HA ASN 58 HA ASN 58 -13.660 0.467 1.806 483 HB2 ASN 58 2HB ASN 58 -12.422 2.273 -0.306 484 HB3 ASN 58 1HB ASN 58 -13.637 1.040 -0.652 485 HD21 ASN 58 1HD2 ASN 58 -13.980 3.726 -1.231 486 HD22 ASN 58 2HD2 ASN 58 -15.246 4.364 -0.251 487 H TYR 59 H TYR 59 -10.210 0.928 1.410 488 HA TYR 59 HA TYR 59 -9.723 -1.456 -0.099 489 HB2 TYR 59 2HB TYR 59 -8.034 0.373 0.028 490 HB3 TYR 59 1HB TYR 59 -7.792 0.030 1.741 491 HD1 TYR 59 HD2 TYR 59 -7.574 -1.584 -1.650 492 HD2 TYR 59 HD1 TYR 59 -6.152 -1.599 2.387 493 HE1 TYR 59 HE2 TYR 59 -5.907 -3.294 -2.242 494 HE2 TYR 59 HE1 TYR 59 -4.502 -3.317 1.795 495 HH TYR 59 HH TYR 59 -3.813 -4.195 -1.436 496 H VAL 60 H VAL 60 -9.687 -0.700 3.408 497 HA VAL 60 HA VAL 60 -8.977 -3.313 4.306 498 HB VAL 60 HB VAL 60 -10.515 -1.179 5.861 499 HG11 VAL 60 1HG1 VAL 60 -8.884 -3.559 6.863 500 HG12 VAL 60 2HG1 VAL 60 -10.640 -3.378 6.963 501 HG13 VAL 60 3HG1 VAL 60 -9.590 -2.305 7.889 502 HG21 VAL 60 3HG2 VAL 60 -8.319 -0.467 6.769 503 HG22 VAL 60 1HG2 VAL 60 -8.386 -0.267 5.017 504 HG23 VAL 60 2HG2 VAL 60 -7.505 -1.627 5.713 505 H ASN 61 H ASN 61 -12.043 -1.746 3.571 506 HA ASN 61 HA ASN 61 -13.849 -3.770 4.422 507 HB2 ASN 61 2HB ASN 61 -14.143 -1.601 2.292 508 HB3 ASN 61 1HB ASN 61 -15.465 -2.653 2.792 509 HD21 ASN 61 1HD2 ASN 61 -15.203 0.276 2.982 510 HD22 ASN 61 2HD2 ASN 61 -15.436 0.651 4.653 511 H SER 62 H SER 62 -12.134 -3.152 1.386 512 HA SER 62 HA SER 62 -13.209 -5.228 -0.182 513 HB2 SER 62 2HB SER 62 -11.885 -3.350 -1.137 514 HB3 SER 62 1HB SER 62 -10.437 -3.950 -0.329 515 HG SER 62 HG SER 62 -11.526 -5.931 -1.766 516 H LEU 63 H LEU 63 -10.460 -5.171 2.101 517 HA LEU 63 HA LEU 63 -9.337 -7.700 1.442 518 HB2 LEU 63 2HB LEU 63 -9.154 -6.244 4.110 519 HB3 LEU 63 1HB LEU 63 -8.079 -7.520 3.544 520 HG LEU 63 HG LEU 63 -8.309 -4.696 2.469 521 HD11 LEU 63 1HD1 LEU 63 -5.980 -4.471 3.154 522 HD12 LEU 63 2HD1 LEU 63 -5.998 -6.117 3.791 523 HD13 LEU 63 3HD1 LEU 63 -7.025 -4.877 4.517 524 HD21 LEU 63 3HD2 LEU 63 -8.042 -6.173 0.549 525 HD22 LEU 63 1HD2 LEU 63 -6.657 -6.959 1.309 526 HD23 LEU 63 2HD2 LEU 63 -6.562 -5.266 0.829 527 H ARG 64 H ARG 64 -11.807 -6.718 3.743 528 HA ARG 64 HA ARG 64 -12.097 -9.269 5.010 529 HB2 ARG 64 2HB ARG 64 -12.766 -7.075 6.069 530 HB3 ARG 64 1HB ARG 64 -14.125 -7.008 4.948 531 HG2 ARG 64 2HG ARG 64 -15.044 -9.086 5.894 532 HG3 ARG 64 1HG ARG 64 -13.650 -9.234 6.964 533 HD2 ARG 64 2HD ARG 64 -14.322 -7.085 8.056 534 HD3 ARG 64 1HD ARG 64 -15.766 -7.062 7.033 535 HE ARG 64 HE ARG 64 -15.321 -9.432 8.688 536 HH11 ARG 64 1HH1 ARG 64 -17.077 -6.414 8.295 537 HH12 ARG 64 2HH1 ARG 64 -18.301 -6.838 9.446 538 HH21 ARG 64 1HH2 ARG 64 -16.890 -9.967 10.206 539 HH22 ARG 64 2HH2 ARG 64 -18.181 -8.860 10.541 540 H ASP 65 H ASP 65 -13.678 -7.587 2.328 541 HA ASP 65 HA ASP 65 -15.693 -9.514 1.743 542 HB2 ASP 65 2HB ASP 65 -15.783 -7.132 1.013 543 HB3 ASP 65 1HB ASP 65 -14.397 -7.395 -0.041 544 H GLU 66 H GLU 66 -12.317 -9.217 0.889 545 HA GLU 66 HA GLU 66 -12.262 -11.309 -1.100 546 HB2 GLU 66 2HB GLU 66 -10.068 -9.865 0.443 547 HB3 GLU 66 1HB GLU 66 -9.730 -11.111 -0.755 548 HG2 GLU 66 2HG GLU 66 -11.132 -8.474 -1.291 549 HG3 GLU 66 1HG GLU 66 -9.452 -8.849 -1.677 550 H GLY 67 H GLY 67 -12.345 -11.190 2.315 551 HA2 GLY 67 2HA GLY 67 -12.429 -12.847 3.896 552 HA3 GLY 67 1HA GLY 67 -12.290 -14.035 2.607 553 H LEU 68 H LEU 68 -9.917 -11.503 2.981 554 HA LEU 68 HA LEU 68 -7.731 -13.313 3.182 555 HB2 LEU 68 2HB LEU 68 -7.789 -10.311 3.684 556 HB3 LEU 68 1HB LEU 68 -6.332 -11.280 3.502 557 HG LEU 68 HG LEU 68 -8.407 -10.727 1.338 558 HD11 LEU 68 1HD1 LEU 68 -6.605 -9.480 0.231 559 HD12 LEU 68 2HD1 LEU 68 -5.528 -9.798 1.592 560 HD13 LEU 68 3HD1 LEU 68 -6.968 -8.805 1.818 561 HD21 LEU 68 3HD2 LEU 68 -6.909 -11.935 -0.203 562 HD22 LEU 68 1HD2 LEU 68 -7.521 -12.996 1.066 563 HD23 LEU 68 2HD2 LEU 68 -5.866 -12.384 1.150 564 H LYS 69 H LYS 69 -6.412 -13.801 4.891 565 HA LYS 69 HA LYS 69 -7.573 -13.691 7.569 566 HB2 LYS 69 2HB LYS 69 -5.669 -15.227 8.137 567 HB3 LYS 69 1HB LYS 69 -6.690 -15.815 6.827 568 HG2 LYS 69 2HG LYS 69 -4.961 -14.891 5.207 569 HG3 LYS 69 1HG LYS 69 -3.915 -14.609 6.605 570 HD2 LYS 69 2HD LYS 69 -3.927 -16.992 7.133 571 HD3 LYS 69 1HD LYS 69 -5.073 -17.312 5.829 572 HE2 LYS 69 2HE LYS 69 -3.340 -16.545 4.190 573 HE3 LYS 69 1HE LYS 69 -2.210 -16.347 5.534 574 HZ1 LYS 69 3HZ LYS 69 -2.445 -18.716 6.011 575 HZ2 LYS 69 1HZ LYS 69 -1.880 -18.456 4.439 576 HZ3 LYS 69 2HZ LYS 69 -3.489 -18.892 4.696 577 H ARG 70 H ARG 70 -6.141 -13.091 9.454 578 HA ARG 70 HA ARG 70 -5.332 -10.418 9.244 579 HB2 ARG 70 2HB ARG 70 -4.559 -10.517 11.534 580 HB3 ARG 70 1HB ARG 70 -6.030 -11.472 11.389 581 HG2 ARG 70 2HG ARG 70 -4.758 -13.548 11.463 582 HG3 ARG 70 1HG ARG 70 -3.231 -12.662 11.449 583 HD2 ARG 70 2HD ARG 70 -3.725 -11.710 13.640 584 HD3 ARG 70 1HD ARG 70 -5.326 -12.459 13.639 585 HE ARG 70 HE ARG 70 -2.831 -14.064 13.629 586 HH11 ARG 70 1HH1 ARG 70 -5.998 -13.381 14.999 587 HH12 ARG 70 2HH1 ARG 70 -5.927 -14.708 16.115 588 HH21 ARG 70 1HH2 ARG 70 -2.760 -15.792 15.112 589 HH22 ARG 70 2HH2 ARG 70 -4.094 -16.055 16.188 590 H GLY 71 H GLY 71 -3.388 -13.368 9.004 591 HA2 GLY 71 2HA GLY 71 -0.812 -12.303 8.978 592 HA3 GLY 71 1HA GLY 71 -1.319 -13.727 8.075 593 H THR 72 H THR 72 -2.975 -12.848 6.198 594 HA THR 72 HA THR 72 -1.302 -11.796 4.186 595 HB THR 72 HB THR 72 -4.353 -11.941 4.163 596 HG1 THR 72 HG1 THR 72 -2.517 -13.893 3.219 597 HG21 THR 72 3HG2 THR 72 -4.093 -12.127 1.696 598 HG22 THR 72 1HG2 THR 72 -2.346 -11.915 1.860 599 HG23 THR 72 2HG2 THR 72 -3.443 -10.596 2.282 600 H ILE 73 H ILE 73 -3.961 -10.352 6.035 601 HA ILE 73 HA ILE 73 -4.060 -7.861 4.730 602 HB ILE 73 HB ILE 73 -5.042 -8.658 7.509 603 HG12 ILE 73 2HG1 ILE 73 -6.521 -8.331 4.854 604 HG13 ILE 73 1HG1 ILE 73 -6.129 -9.866 5.627 605 HG21 ILE 73 1HG2 ILE 73 -6.458 -6.612 7.458 606 HG22 ILE 73 2HG2 ILE 73 -5.659 -6.101 5.973 607 HG23 ILE 73 3HG2 ILE 73 -4.739 -6.218 7.470 608 HD11 ILE 73 3HD1 ILE 73 -8.458 -9.297 5.935 609 HD12 ILE 73 1HD1 ILE 73 -8.022 -7.763 6.691 610 HD13 ILE 73 2HD1 ILE 73 -7.625 -9.287 7.486 611 H GLU 74 H GLU 74 -2.495 -8.841 7.804 612 HA GLU 74 HA GLU 74 -1.673 -6.420 8.817 613 HB2 GLU 74 2HB GLU 74 -1.398 -8.583 10.005 614 HB3 GLU 74 1HB GLU 74 -0.104 -9.033 8.906 615 HG2 GLU 74 2HG GLU 74 1.150 -6.957 9.766 616 HG3 GLU 74 1HG GLU 74 -0.077 -6.867 11.028 617 H LYS 75 H LYS 75 0.097 -8.483 6.520 618 HA LYS 75 HA LYS 75 2.472 -6.930 6.444 619 HB2 LYS 75 2HB LYS 75 1.388 -9.050 4.545 620 HB3 LYS 75 1HB LYS 75 3.002 -8.353 4.406 621 HG2 LYS 75 2HG LYS 75 3.608 -9.219 6.620 622 HG3 LYS 75 1HG LYS 75 1.973 -9.853 6.842 623 HD2 LYS 75 2HD LYS 75 3.936 -10.760 4.689 624 HD3 LYS 75 1HD LYS 75 3.641 -11.604 6.212 625 HE2 LYS 75 2HE LYS 75 1.222 -11.866 5.504 626 HE3 LYS 75 1HE LYS 75 1.666 -11.183 3.937 627 HZ1 LYS 75 3HZ LYS 75 3.292 -13.035 3.748 628 HZ2 LYS 75 1HZ LYS 75 1.671 -13.507 3.748 629 HZ3 LYS 75 2HZ LYS 75 2.611 -13.718 5.138 630 H ILE 76 H ILE 76 -0.394 -7.038 4.312 631 HA ILE 76 HA ILE 76 0.748 -5.225 2.372 632 HB ILE 76 HB ILE 76 -1.337 -5.334 1.153 633 HG12 ILE 76 2HG1 ILE 76 -2.550 -6.647 3.629 634 HG13 ILE 76 1HG1 ILE 76 -3.017 -5.098 2.932 635 HG21 ILE 76 1HG2 ILE 76 -0.746 -8.069 2.336 636 HG22 ILE 76 2HG2 ILE 76 0.153 -7.302 1.025 637 HG23 ILE 76 3HG2 ILE 76 -1.535 -7.749 0.786 638 HD11 ILE 76 3HD1 ILE 76 -3.438 -7.836 1.723 639 HD12 ILE 76 1HD1 ILE 76 -3.842 -6.312 0.927 640 HD13 ILE 76 2HD1 ILE 76 -4.656 -6.774 2.417 641 H ILE 77 H ILE 77 -1.199 -4.867 5.245 642 HA ILE 77 HA ILE 77 -1.963 -2.140 4.929 643 HB ILE 77 HB ILE 77 -1.477 -3.759 7.472 644 HG12 ILE 77 2HG1 ILE 77 -3.304 -4.741 6.224 645 HG13 ILE 77 1HG1 ILE 77 -3.996 -3.886 7.587 646 HG21 ILE 77 1HG2 ILE 77 -1.307 -1.396 8.029 647 HG22 ILE 77 2HG2 ILE 77 -2.811 -2.050 8.676 648 HG23 ILE 77 3HG2 ILE 77 -2.837 -1.059 7.216 649 HD11 ILE 77 3HD1 ILE 77 -5.319 -3.622 5.594 650 HD12 ILE 77 1HD1 ILE 77 -3.943 -2.943 4.729 651 HD13 ILE 77 2HD1 ILE 77 -4.647 -2.075 6.093 652 H LYS 78 H LYS 78 0.795 -3.722 6.572 653 HA LYS 78 HA LYS 78 2.157 -1.443 7.513 654 HB2 LYS 78 2HB LYS 78 3.253 -4.172 6.729 655 HB3 LYS 78 1HB LYS 78 4.193 -2.946 7.579 656 HG2 LYS 78 2HG LYS 78 1.663 -4.265 8.627 657 HG3 LYS 78 1HG LYS 78 3.311 -4.706 9.080 658 HD2 LYS 78 2HD LYS 78 3.650 -2.455 10.057 659 HD3 LYS 78 1HD LYS 78 2.013 -1.994 9.577 660 HE2 LYS 78 2HE LYS 78 1.070 -3.672 11.104 661 HE3 LYS 78 1HE LYS 78 2.695 -4.226 11.532 662 HZ1 LYS 78 3HZ LYS 78 1.857 -2.744 13.197 663 HZ2 LYS 78 1HZ LYS 78 1.566 -1.531 12.050 664 HZ3 LYS 78 2HZ LYS 78 3.149 -2.013 12.397 665 H VAL 79 H VAL 79 2.267 -3.107 4.426 666 HA VAL 79 HA VAL 79 4.437 -1.808 3.195 667 HB VAL 79 HB VAL 79 1.971 -3.209 2.081 668 HG11 VAL 79 1HG1 VAL 79 3.027 -3.130 -0.168 669 HG12 VAL 79 2HG1 VAL 79 4.249 -2.027 0.459 670 HG13 VAL 79 3HG1 VAL 79 2.560 -1.530 0.409 671 HG21 VAL 79 3HG2 VAL 79 3.687 -4.636 3.158 672 HG22 VAL 79 1HG2 VAL 79 4.916 -3.990 2.071 673 HG23 VAL 79 2HG2 VAL 79 3.587 -4.961 1.427 674 H ILE 80 H ILE 80 0.916 -1.078 2.969 675 HA ILE 80 HA ILE 80 1.201 1.125 1.187 676 HB ILE 80 HB ILE 80 -1.127 0.300 2.978 677 HG12 ILE 80 2HG1 ILE 80 -0.653 -0.105 -0.012 678 HG13 ILE 80 1HG1 ILE 80 -0.484 -1.350 1.220 679 HG21 ILE 80 1HG2 ILE 80 -2.590 1.743 1.573 680 HG22 ILE 80 2HG2 ILE 80 -1.167 2.369 0.736 681 HG23 ILE 80 3HG2 ILE 80 -1.395 2.700 2.455 682 HD11 ILE 80 3HD1 ILE 80 -2.555 -1.588 0.014 683 HD12 ILE 80 1HD1 ILE 80 -3.039 0.047 0.452 684 HD13 ILE 80 2HD1 ILE 80 -2.876 -1.192 1.699 685 H ARG 81 H ARG 81 0.845 0.915 4.690 686 HA ARG 81 HA ARG 81 0.706 3.648 5.343 687 HB2 ARG 81 2HB ARG 81 1.955 1.379 6.948 688 HB3 ARG 81 1HB ARG 81 1.573 2.975 7.592 689 HG2 ARG 81 2HG ARG 81 -0.823 2.580 7.124 690 HG3 ARG 81 1HG ARG 81 -0.433 0.968 6.524 691 HD2 ARG 81 2HD ARG 81 -1.255 0.876 8.837 692 HD3 ARG 81 1HD ARG 81 0.424 0.346 8.752 693 HE ARG 81 HE ARG 81 1.115 2.434 9.685 694 HH11 ARG 81 1HH1 ARG 81 -2.375 1.994 9.815 695 HH12 ARG 81 2HH1 ARG 81 -2.582 3.141 11.102 696 HH21 ARG 81 1HH2 ARG 81 0.826 3.933 11.342 697 HH22 ARG 81 2HH2 ARG 81 -0.762 4.229 11.977 698 H ASN 82 H ASN 82 3.505 1.499 4.924 699 HA ASN 82 HA ASN 82 5.470 3.465 5.623 700 HB2 ASN 82 2HB ASN 82 5.595 0.820 5.663 701 HB3 ASN 82 1HB ASN 82 6.117 0.983 3.999 702 HD21 ASN 82 1HD2 ASN 82 7.576 3.613 4.873 703 HD22 ASN 82 2HD2 ASN 82 9.000 3.015 5.632 704 H SER 83 H SER 83 3.906 2.498 2.632 705 HA SER 83 HA SER 83 5.701 3.678 0.763 706 HB2 SER 83 2HB SER 83 2.713 3.104 0.487 707 HB3 SER 83 1HB SER 83 3.803 3.483 -0.851 708 HG SER 83 HG SER 83 4.484 1.365 0.834 709 H LEU 84 H LEU 84 2.655 4.796 2.225 710 HA LEU 84 HA LEU 84 2.686 7.346 0.940 711 HB2 LEU 84 2HB LEU 84 1.033 6.334 3.270 712 HB3 LEU 84 1HB LEU 84 0.757 7.859 2.440 713 HG LEU 84 HG LEU 84 0.433 5.060 1.275 714 HD11 LEU 84 1HD1 LEU 84 -1.613 7.249 1.733 715 HD12 LEU 84 2HD1 LEU 84 -1.410 5.796 2.709 716 HD13 LEU 84 3HD1 LEU 84 -1.916 5.656 1.030 717 HD21 LEU 84 3HD2 LEU 84 0.172 7.721 -0.167 718 HD22 LEU 84 1HD2 LEU 84 -0.286 6.145 -0.822 719 HD23 LEU 84 2HD2 LEU 84 1.403 6.484 -0.453 720 H GLU 85 H GLU 85 3.854 6.193 4.085 721 HA GLU 85 HA GLU 85 4.580 8.660 5.256 722 HB2 GLU 85 2HB GLU 85 5.797 5.876 5.457 723 HB3 GLU 85 1HB GLU 85 6.504 7.237 6.326 724 HG2 GLU 85 2HG GLU 85 3.666 6.219 6.656 725 HG3 GLU 85 1HG GLU 85 5.009 5.891 7.752 726 H HIS 86 H HIS 86 6.238 6.629 2.889 727 HA HIS 86 HA HIS 86 8.632 8.230 2.736 728 HB2 HIS 86 2HB HIS 86 8.466 5.739 2.280 729 HB3 HIS 86 1HB HIS 86 7.624 6.123 0.787 730 HD1 HIS 86 HD1 HIS 86 10.988 6.649 2.456 731 HD2 HIS 86 HD2 HIS 86 9.312 6.565 -1.347 732 HE1 HIS 86 HE1 HIS 86 12.923 6.773 0.861 733 HE2 HIS 86 HE2 HIS 86 11.875 6.861 -1.422 734 H ALA 87 H ALA 87 5.512 8.232 1.183 735 HA ALA 87 HA ALA 87 6.239 9.970 -1.005 736 HB1 ALA 87 3HB ALA 87 4.356 8.410 -1.206 737 HB2 ALA 87 1HB ALA 87 3.808 10.079 -1.426 738 HB3 ALA 87 2HB ALA 87 3.504 9.238 0.101 739 H ILE 88 H ILE 88 5.254 10.466 2.358 740 HA ILE 88 HA ILE 88 4.856 13.322 2.146 741 HB ILE 88 HB ILE 88 5.755 11.814 4.646 742 HG12 ILE 88 2HG1 ILE 88 2.863 12.431 3.885 743 HG13 ILE 88 1HG1 ILE 88 3.607 10.851 3.672 744 HG21 ILE 88 1HG2 ILE 88 6.004 14.261 4.810 745 HG22 ILE 88 2HG2 ILE 88 4.722 13.703 5.883 746 HG23 ILE 88 3HG2 ILE 88 4.311 14.483 4.353 747 HD11 ILE 88 3HD1 ILE 88 3.275 12.275 6.314 748 HD12 ILE 88 1HD1 ILE 88 3.941 10.656 6.078 749 HD13 ILE 88 2HD1 ILE 88 2.253 10.983 5.701 750 H ASP 89 H ASP 89 7.550 11.166 2.858 751 HA ASP 89 HA ASP 89 9.616 12.978 3.425 752 HB2 ASP 89 2HB ASP 89 9.876 10.585 3.828 753 HB3 ASP 89 1HB ASP 89 9.665 10.224 2.117 754 H LEU 90 H LEU 90 8.491 11.653 0.323 755 HA LEU 90 HA LEU 90 10.283 13.327 -1.262 756 HB2 LEU 90 2HB LEU 90 8.141 11.324 -2.076 757 HB3 LEU 90 1HB LEU 90 9.214 12.150 -3.200 758 HG LEU 90 HG LEU 90 10.097 10.177 -1.044 759 HD11 LEU 90 1HD1 LEU 90 9.899 9.795 -4.050 760 HD12 LEU 90 2HD1 LEU 90 8.882 9.041 -2.817 761 HD13 LEU 90 3HD1 LEU 90 10.597 8.643 -2.904 762 HD21 LEU 90 3HD2 LEU 90 11.845 11.845 -1.458 763 HD22 LEU 90 1HD2 LEU 90 11.757 11.552 -3.199 764 HD23 LEU 90 2HD2 LEU 90 12.330 10.283 -2.109 765 H GLU 91 H GLU 91 7.431 13.883 0.306 766 HA GLU 91 HA GLU 91 5.803 15.440 0.301 767 HB2 GLU 91 2HB GLU 91 7.662 16.923 -1.592 768 HB3 GLU 91 1HB GLU 91 6.295 17.646 -0.744 769 HG2 GLU 91 2HG GLU 91 7.400 17.080 1.428 770 HG3 GLU 91 1HG GLU 91 8.795 16.479 0.528 771 H LEU 92 H LEU 92 5.812 13.347 -1.864 772 HA LEU 92 HA LEU 92 4.404 14.316 -4.149 773 HB2 LEU 92 2HB LEU 92 4.535 11.545 -2.902 774 HB3 LEU 92 1HB LEU 92 3.908 11.896 -4.515 775 HG LEU 92 HG LEU 92 6.790 12.380 -3.632 776 HD11 LEU 92 1HD1 LEU 92 7.402 10.467 -5.027 777 HD12 LEU 92 2HD1 LEU 92 5.699 10.150 -5.372 778 HD13 LEU 92 3HD1 LEU 92 6.315 9.983 -3.725 779 HD21 LEU 92 3HD2 LEU 92 5.543 12.589 -6.398 780 HD22 LEU 92 1HD2 LEU 92 7.257 12.778 -6.015 781 HD23 LEU 92 2HD2 LEU 92 6.087 13.938 -5.397 782 H ILE 93 H ILE 93 3.495 13.247 -0.958 783 HA ILE 93 HA ILE 93 0.798 14.364 -1.343 784 HB ILE 93 HB ILE 93 -0.199 12.734 0.242 785 HG12 ILE 93 2HG1 ILE 93 2.403 11.157 0.030 786 HG13 ILE 93 1HG1 ILE 93 1.953 12.117 1.425 787 HG21 ILE 93 1HG2 ILE 93 -0.454 12.294 -2.157 788 HG22 ILE 93 2HG2 ILE 93 -0.343 10.777 -1.262 789 HG23 ILE 93 3HG2 ILE 93 1.051 11.368 -2.167 790 HD11 ILE 93 3HD1 ILE 93 -0.004 10.667 1.771 791 HD12 ILE 93 1HD1 ILE 93 1.521 9.783 1.816 792 HD13 ILE 93 2HD1 ILE 93 0.497 9.692 0.387 793 H THR 94 H THR 94 -0.060 15.256 0.615 794 HA THR 94 HA THR 94 1.921 16.606 2.222 795 HB THR 94 HB THR 94 -0.076 17.853 3.124 796 HG1 THR 94 HG1 THR 94 -1.819 16.599 3.017 797 HG21 THR 94 3HG2 THR 94 -0.026 17.676 0.082 798 HG22 THR 94 1HG2 THR 94 1.047 18.679 1.065 799 HG23 THR 94 2HG2 THR 94 -0.686 19.008 1.031 800 H LYS 95 H LYS 95 -0.257 13.888 2.641 801 HA LYS 95 HA LYS 95 0.481 13.529 5.446 802 HB2 LYS 95 2HB LYS 95 -1.371 15.156 5.560 803 HB3 LYS 95 1HB LYS 95 -2.392 14.112 4.583 804 HG2 LYS 95 2HG LYS 95 -2.444 12.441 6.387 805 HG3 LYS 95 1HG LYS 95 -1.369 13.446 7.369 806 HD2 LYS 95 2HD LYS 95 -3.086 15.235 7.418 807 HD3 LYS 95 1HD LYS 95 -4.162 14.245 6.429 808 HE2 LYS 95 2HE LYS 95 -4.802 14.143 8.801 809 HE3 LYS 95 1HE LYS 95 -4.259 12.561 8.238 810 HZ1 LYS 95 3HZ LYS 95 -2.115 12.965 9.262 811 HZ2 LYS 95 1HZ LYS 95 -3.349 13.117 10.405 812 HZ3 LYS 95 2HZ LYS 95 -2.612 14.497 9.771 813 H ASN 96 H ASN 96 0.541 11.402 5.964 814 HA ASN 96 HA ASN 96 -0.145 9.308 4.138 815 HB2 ASN 96 2HB ASN 96 1.716 8.978 5.695 816 HB3 ASN 96 1HB ASN 96 0.667 9.234 7.079 817 HD21 ASN 96 1HD2 ASN 96 1.144 7.200 8.004 818 HD22 ASN 96 2HD2 ASN 96 0.634 5.706 7.308 819 H VAL 97 H VAL 97 -2.282 9.176 3.683 820 HA VAL 97 HA VAL 97 -4.382 9.405 5.636 821 HB VAL 97 HB VAL 97 -5.889 8.687 3.755 822 HG11 VAL 97 1HG1 VAL 97 -5.331 11.088 4.022 823 HG12 VAL 97 2HG1 VAL 97 -5.514 10.684 2.313 824 HG13 VAL 97 3HG1 VAL 97 -3.900 10.883 3.007 825 HG21 VAL 97 3HG2 VAL 97 -4.968 8.322 1.483 826 HG22 VAL 97 1HG2 VAL 97 -4.323 7.120 2.606 827 HG23 VAL 97 2HG2 VAL 97 -3.325 8.485 2.106 828 H ALA 98 H ALA 98 -2.234 6.898 4.792 829 HA ALA 98 HA ALA 98 -3.987 4.650 5.369 830 HB1 ALA 98 3HB ALA 98 -2.261 4.390 3.649 831 HB2 ALA 98 1HB ALA 98 -2.023 3.234 4.964 832 HB3 ALA 98 2HB ALA 98 -1.001 4.672 4.850 833 H ALA 99 H ALA 99 -2.519 6.879 7.315 834 HA ALA 99 HA ALA 99 -1.715 5.349 9.562 835 HB1 ALA 99 3HB ALA 99 -2.141 7.390 10.868 836 HB2 ALA 99 1HB ALA 99 -3.026 8.086 9.506 837 HB3 ALA 99 2HB ALA 99 -1.296 7.771 9.364 838 H LYS 100 H LYS 100 -4.846 6.114 8.191 839 HA LYS 100 HA LYS 100 -6.410 5.107 10.445 840 HB2 LYS 100 2HB LYS 100 -7.314 5.826 7.623 841 HB3 LYS 100 1HB LYS 100 -8.363 5.549 9.016 842 HG2 LYS 100 2HG LYS 100 -6.422 7.847 8.600 843 HG3 LYS 100 1HG LYS 100 -8.186 7.923 8.616 844 HD2 LYS 100 2HD LYS 100 -8.161 7.243 11.032 845 HD3 LYS 100 1HD LYS 100 -6.395 7.259 10.995 846 HE2 LYS 100 2HE LYS 100 -8.244 9.634 10.592 847 HE3 LYS 100 1HE LYS 100 -7.194 9.331 11.977 848 HZ1 LYS 100 3HZ LYS 100 -6.344 9.928 9.197 849 HZ2 LYS 100 1HZ LYS 100 -5.287 9.491 10.440 850 HZ3 LYS 100 2HZ LYS 100 -6.171 10.920 10.549 851 H THR 101 H THR 101 -4.982 3.887 7.508 852 HA THR 101 HA THR 101 -6.474 1.432 7.314 853 HB THR 101 HB THR 101 -3.660 1.964 6.216 854 HG1 THR 101 HG1 THR 101 -4.708 2.765 4.385 855 HG21 THR 101 3HG2 THR 101 -4.452 -0.372 5.994 856 HG22 THR 101 1HG2 THR 101 -4.310 0.422 4.426 857 HG23 THR 101 2HG2 THR 101 -5.900 0.202 5.160 858 H LYS 102 H LYS 102 -6.426 0.585 9.397 859 HA LYS 102 HA LYS 102 -3.862 -0.605 10.293 860 HB2 LYS 102 2HB LYS 102 -6.289 0.121 12.006 861 HB3 LYS 102 1HB LYS 102 -4.765 -0.556 12.586 862 HG2 LYS 102 2HG LYS 102 -3.592 1.514 11.914 863 HG3 LYS 102 1HG LYS 102 -5.112 2.183 11.312 864 HD2 LYS 102 2HD LYS 102 -4.608 3.107 13.517 865 HD3 LYS 102 1HD LYS 102 -6.050 2.092 13.611 866 HE2 LYS 102 2HE LYS 102 -4.651 0.242 14.522 867 HE3 LYS 102 1HE LYS 102 -3.239 1.301 14.468 868 HZ1 LYS 102 3HZ LYS 102 -4.195 1.219 16.668 869 HZ2 LYS 102 1HZ LYS 102 -5.692 1.737 16.081 870 HZ3 LYS 102 2HZ LYS 102 -4.362 2.772 16.029 871 H LEU 103 H LEU 103 -4.100 -2.704 11.371 872 HA LEU 103 HA LEU 103 -6.184 -4.445 10.350 873 HB2 LEU 103 2HB LEU 103 -3.816 -5.185 10.773 874 HB3 LEU 103 1HB LEU 103 -4.068 -4.937 12.492 875 HG LEU 103 HG LEU 103 -5.684 -6.780 12.569 876 HD11 LEU 103 1HD1 LEU 103 -6.162 -8.203 10.623 877 HD12 LEU 103 2HD1 LEU 103 -5.243 -7.108 9.589 878 HD13 LEU 103 3HD1 LEU 103 -6.726 -6.553 10.364 879 HD21 LEU 103 3HD2 LEU 103 -4.194 -8.664 12.086 880 HD22 LEU 103 1HD2 LEU 103 -3.300 -7.338 12.833 881 HD23 LEU 103 2HD2 LEU 103 -3.170 -7.621 11.095 882 HA PRO 104 HA PRO 104 -9.027 -2.609 13.335 883 HB2 PRO 104 2HB PRO 104 -10.758 -5.012 12.843 884 HB3 PRO 104 1HB PRO 104 -11.132 -3.297 12.637 885 HG2 PRO 104 2HG PRO 104 -10.674 -4.894 10.520 886 HG3 PRO 104 1HG PRO 104 -10.155 -3.199 10.517 887 HD2 PRO 104 2HD PRO 104 -8.527 -5.687 10.913 888 HD3 PRO 104 1HD PRO 104 -8.109 -4.181 10.063 889 H LYS 105 H LYS 105 -9.454 -6.124 13.746 890 HA LYS 105 HA LYS 105 -8.467 -6.154 16.488 891 HB2 LYS 105 2HB LYS 105 -11.424 -6.634 15.874 892 HB3 LYS 105 1HB LYS 105 -10.650 -7.237 17.331 893 HG2 LYS 105 2HG LYS 105 -10.972 -4.312 16.570 894 HG3 LYS 105 1HG LYS 105 -11.910 -5.182 17.787 895 HD2 LYS 105 2HD LYS 105 -8.904 -4.655 17.908 896 HD3 LYS 105 1HD LYS 105 -10.133 -3.759 18.802 897 HE2 LYS 105 2HE LYS 105 -10.706 -5.760 20.093 898 HE3 LYS 105 1HE LYS 105 -9.612 -6.742 19.117 899 HZ1 LYS 105 3HZ LYS 105 -8.785 -4.483 20.845 900 HZ2 LYS 105 1HZ LYS 105 -7.765 -5.503 19.963 901 HZ3 LYS 105 2HZ LYS 105 -8.666 -6.119 21.255 902 H ALA 106 H ALA 106 -6.982 -7.634 15.756 903 HA ALA 106 HA ALA 106 -7.839 -10.371 15.321 904 HB1 ALA 106 3HB ALA 106 -8.096 -9.426 13.050 905 HB2 ALA 106 1HB ALA 106 -6.797 -10.617 13.100 906 HB3 ALA 106 2HB ALA 106 -6.416 -8.895 13.070 907 H ASP 107 H ASP 107 -5.233 -7.981 15.491 908 HA ASP 107 HA ASP 107 -3.411 -9.945 16.688 909 HB2 ASP 107 2HB ASP 107 -3.081 -9.787 14.119 910 HB3 ASP 107 1HB ASP 107 -2.509 -8.151 14.395 911 H LYS 108 H LYS 108 -1.324 -8.644 17.417 912 HA LYS 108 HA LYS 108 -2.361 -6.436 19.049 913 HB2 LYS 108 2HB LYS 108 -0.571 -6.780 20.563 914 HB3 LYS 108 1HB LYS 108 -1.046 -8.399 20.089 915 HG2 LYS 108 2HG LYS 108 1.378 -6.891 19.048 916 HG3 LYS 108 1HG LYS 108 1.416 -8.114 20.315 917 HD2 LYS 108 2HD LYS 108 0.649 -8.560 17.403 918 HD3 LYS 108 1HD LYS 108 2.180 -9.019 18.146 919 HE2 LYS 108 2HE LYS 108 0.998 -10.650 19.579 920 HE3 LYS 108 1HE LYS 108 -0.548 -10.155 18.890 921 HZ1 LYS 108 3HZ LYS 108 0.204 -12.162 17.860 922 HZ2 LYS 108 1HZ LYS 108 1.684 -11.459 17.437 923 HZ3 LYS 108 2HZ LYS 108 0.252 -10.912 16.720 924 H GLU 109 H GLU 109 -1.602 -4.346 18.962 925 HA GLU 109 HA GLU 109 0.128 -3.477 16.801 926 HB2 GLU 109 2HB GLU 109 -1.235 -1.962 19.072 927 HB3 GLU 109 1HB GLU 109 -0.261 -1.192 17.816 928 HG2 GLU 109 2HG GLU 109 -1.832 -1.910 16.091 929 HG3 GLU 109 1HG GLU 109 -2.776 -2.818 17.275 930 H GLU 110 H GLU 110 2.212 -3.715 17.011 931 HA GLU 110 HA GLU 110 3.800 -4.268 19.160 932 HB2 GLU 110 2HB GLU 110 5.737 -3.603 17.792 933 HB3 GLU 110 1HB GLU 110 4.564 -4.521 16.851 934 HG2 GLU 110 2HG GLU 110 4.966 -1.501 16.749 935 HG3 GLU 110 1HG GLU 110 5.539 -2.661 15.553 936 H LEU 111 H LEU 111 2.830 -1.024 18.072 937 HA LEU 111 HA LEU 111 4.569 0.486 19.737 938 HB2 LEU 111 2HB LEU 111 1.822 1.273 18.679 939 HB3 LEU 111 1HB LEU 111 3.047 2.379 19.292 940 HG LEU 111 HG LEU 111 3.220 0.720 16.739 941 HD11 LEU 111 1HD1 LEU 111 1.714 2.629 16.547 942 HD12 LEU 111 2HD1 LEU 111 3.164 2.875 15.578 943 HD13 LEU 111 3HD1 LEU 111 2.981 3.720 17.121 944 HD21 LEU 111 3HD2 LEU 111 5.293 2.615 17.906 945 HD22 LEU 111 1HD2 LEU 111 5.361 1.879 16.300 946 HD23 LEU 111 2HD2 LEU 111 5.446 0.863 17.737 947 H GLU 112 H GLU 112 1.183 -0.568 20.168 948 HA GLU 112 HA GLU 112 1.055 0.366 22.925 949 HB2 GLU 112 2HB GLU 112 -0.990 -1.280 21.372 950 HB3 GLU 112 1HB GLU 112 -1.266 -0.443 22.902 951 HG2 GLU 112 2HG GLU 112 -0.615 1.707 21.602 952 HG3 GLU 112 1HG GLU 112 -0.845 0.737 20.147 953 H HIS 113 H HIS 113 2.390 -2.327 21.523 954 HA HIS 113 HA HIS 113 1.876 -4.289 23.592 955 HB2 HIS 113 2HB HIS 113 2.361 -4.886 21.203 956 HB3 HIS 113 1HB HIS 113 3.979 -4.220 21.373 957 HD1 HIS 113 HD1 HIS 113 1.834 -7.068 22.684 958 HD2 HIS 113 HD2 HIS 113 5.836 -6.015 22.298 959 HE1 HIS 113 HE1 HIS 113 3.127 -9.137 23.231 960 HE2 HIS 113 HE2 HIS 113 5.510 -8.546 22.737 961 H HIS 114 H HIS 114 2.991 -4.435 25.469 962 HA HIS 114 HA HIS 114 4.336 -2.150 26.415 963 HB2 HIS 114 2HB HIS 114 2.878 -3.597 27.795 964 HB3 HIS 114 1HB HIS 114 4.078 -4.882 27.723 965 HD1 HIS 114 HD1 HIS 114 5.954 -4.802 29.415 966 HD2 HIS 114 HD2 HIS 114 3.707 -1.314 29.367 967 HE1 HIS 114 HE1 HIS 114 6.738 -3.475 31.389 968 HE2 HIS 114 HE2 HIS 114 5.214 -1.481 31.456 969 H HIS 115 H HIS 115 5.678 -5.099 25.082 970 HA HIS 115 HA HIS 115 8.422 -4.467 25.802 971 HB2 HIS 115 2HB HIS 115 7.239 -6.388 23.744 972 HB3 HIS 115 1HB HIS 115 8.971 -6.170 23.961 973 HD1 HIS 115 HD1 HIS 115 6.421 -8.422 24.897 974 HD2 HIS 115 HD2 HIS 115 9.621 -6.684 26.909 975 HE1 HIS 115 HE1 HIS 115 6.891 -9.933 26.849 976 HE2 HIS 115 HE2 HIS 115 8.832 -8.866 28.052 977 H HIS 116 H HIS 116 8.724 -2.319 25.194 978 HA HIS 116 HA HIS 116 7.842 -1.232 22.681 979 HB2 HIS 116 2HB HIS 116 9.667 -0.100 24.843 980 HB3 HIS 116 1HB HIS 116 9.203 0.804 23.408 981 HD1 HIS 116 HD1 HIS 116 7.127 2.141 23.574 982 HD2 HIS 116 HD2 HIS 116 7.362 -0.750 26.539 983 HE1 HIS 116 HE1 HIS 116 5.189 2.596 25.105 984 HE2 HIS 116 HE2 HIS 116 5.234 0.694 26.756 985 H HIS 117 H HIS 117 9.002 -0.742 20.862 986 HA HIS 117 HA HIS 117 11.853 -1.536 20.667 987 HB2 HIS 117 2HB HIS 117 9.783 -0.878 18.522 988 HB3 HIS 117 1HB HIS 117 11.488 -1.156 18.174 989 HD1 HIS 117 HD1 HIS 117 8.310 -2.921 18.743 990 HD2 HIS 117 HD2 HIS 117 12.354 -3.865 18.707 991 HE1 HIS 117 HE1 HIS 117 8.407 -5.418 18.562 992 HE2 HIS 117 HE2 HIS 117 10.850 -5.971 18.775 993 H HIS 118 H HIS 118 9.975 1.124 21.359 994 HA HIS 118 HA HIS 118 12.095 3.058 20.598 995 HB2 HIS 118 2HB HIS 118 9.095 3.571 20.913 996 HB3 HIS 118 1HB HIS 118 10.309 4.808 20.605 997 HD1 HIS 118 HD1 HIS 118 7.943 2.759 18.885 998 HD2 HIS 118 HD2 HIS 118 11.710 4.270 18.007 999 HE1 HIS 118 HE1 HIS 118 8.177 2.553 16.391 1000 HE2 HIS 118 HE2 HIS 118 10.541 3.290 15.917 Start of MODEL 18 1 H1 MET 1 1H MET 1 6.222 25.183 -15.256 2 H2 MET 1 2H MET 1 7.668 24.697 -14.534 3 H3 MET 1 3H MET 1 6.802 25.998 -13.888 4 HA MET 1 HA MET 1 6.533 24.011 -12.561 5 HB2 MET 1 2HB MET 1 4.027 23.992 -12.518 6 HB3 MET 1 1HB MET 1 4.703 25.612 -12.552 7 HG2 MET 1 2HG MET 1 4.189 25.780 -14.955 8 HG3 MET 1 1HG MET 1 3.507 24.154 -14.920 9 HE1 MET 1 3HE MET 1 0.269 26.322 -15.318 10 HE2 MET 1 1HE MET 1 1.176 24.934 -15.923 11 HE3 MET 1 2HE MET 1 1.839 26.565 -16.090 12 H GLU 2 H GLU 2 6.428 21.816 -12.476 13 HA GLU 2 HA GLU 2 5.425 20.302 -14.786 14 HB2 GLU 2 2HB GLU 2 7.452 18.801 -14.711 15 HB3 GLU 2 1HB GLU 2 7.779 20.421 -15.311 16 HG2 GLU 2 2HG GLU 2 8.765 21.042 -13.148 17 HG3 GLU 2 1HG GLU 2 8.380 19.448 -12.499 18 HA PRO 3 HA PRO 3 3.791 18.432 -10.901 19 HB2 PRO 3 2HB PRO 3 1.495 17.407 -11.995 20 HB3 PRO 3 1HB PRO 3 1.645 19.105 -11.517 21 HG2 PRO 3 2HG PRO 3 1.914 17.878 -14.259 22 HG3 PRO 3 1HG PRO 3 1.057 19.358 -13.776 23 HD2 PRO 3 2HD PRO 3 3.551 19.410 -14.902 24 HD3 PRO 3 1HD PRO 3 3.013 20.630 -13.728 25 H SER 4 H SER 4 4.356 16.431 -10.197 26 HA SER 4 HA SER 4 5.720 14.564 -11.798 27 HB2 SER 4 2HB SER 4 6.082 14.734 -9.356 28 HB3 SER 4 1HB SER 4 4.449 14.147 -9.054 29 HG SER 4 HG SER 4 5.850 12.463 -10.671 30 H LYS 5 H LYS 5 2.422 14.654 -10.569 31 HA LYS 5 HA LYS 5 0.494 13.582 -11.003 32 HB2 LYS 5 2HB LYS 5 1.803 13.139 -13.716 33 HB3 LYS 5 1HB LYS 5 0.105 12.821 -13.381 34 HG2 LYS 5 2HG LYS 5 1.340 15.579 -13.037 35 HG3 LYS 5 1HG LYS 5 0.671 15.015 -14.565 36 HD2 LYS 5 2HD LYS 5 -1.106 16.226 -13.646 37 HD3 LYS 5 1HD LYS 5 -1.516 14.569 -13.219 38 HE2 LYS 5 2HE LYS 5 -0.559 15.001 -10.927 39 HE3 LYS 5 1HE LYS 5 -0.314 16.683 -11.391 40 HZ1 LYS 5 3HZ LYS 5 -2.702 16.850 -11.780 41 HZ2 LYS 5 1HZ LYS 5 -2.350 16.428 -10.180 42 HZ3 LYS 5 2HZ LYS 5 -2.907 15.258 -11.259 43 H LEU 6 H LEU 6 2.727 12.120 -9.838 44 HA LEU 6 HA LEU 6 3.125 9.568 -10.946 45 HB2 LEU 6 2HB LEU 6 4.721 10.655 -9.419 46 HB3 LEU 6 1HB LEU 6 3.554 10.590 -8.106 47 HG LEU 6 HG LEU 6 3.717 8.134 -8.044 48 HD11 LEU 6 1HD1 LEU 6 5.358 6.909 -9.389 49 HD12 LEU 6 2HD1 LEU 6 5.739 8.381 -10.287 50 HD13 LEU 6 3HD1 LEU 6 4.128 7.666 -10.400 51 HD21 LEU 6 3HD2 LEU 6 6.010 7.945 -7.186 52 HD22 LEU 6 1HD2 LEU 6 5.265 9.457 -6.666 53 HD23 LEU 6 2HD2 LEU 6 6.450 9.461 -7.977 54 H SER 7 H SER 7 1.729 7.935 -11.053 55 HA SER 7 HA SER 7 -0.579 7.692 -9.342 56 HB2 SER 7 2HB SER 7 -0.594 6.937 -11.750 57 HB3 SER 7 1HB SER 7 0.521 5.636 -11.313 58 HG SER 7 HG SER 7 -1.209 4.568 -10.767 59 H TYR 8 H TYR 8 -0.939 5.931 -7.863 60 HA TYR 8 HA TYR 8 1.257 5.501 -6.134 61 HB2 TYR 8 2HB TYR 8 -1.167 5.585 -5.453 62 HB3 TYR 8 1HB TYR 8 -1.380 3.982 -6.151 63 HD1 TYR 8 HD1 TYR 8 1.353 5.435 -4.006 64 HD2 TYR 8 HD2 TYR 8 -1.711 2.466 -4.327 65 HE1 TYR 8 HE1 TYR 8 2.040 4.490 -1.852 66 HE2 TYR 8 HE2 TYR 8 -1.013 1.531 -2.161 67 HH TYR 8 HH TYR 8 1.058 3.130 -0.038 68 H GLY 9 H GLY 9 -0.182 3.537 -8.678 69 HA2 GLY 9 2HA GLY 9 1.053 1.047 -8.106 70 HA3 GLY 9 1HA GLY 9 0.387 1.548 -9.655 71 H GLU 10 H GLU 10 2.106 3.869 -9.958 72 HA GLU 10 HA GLU 10 4.510 2.625 -10.995 73 HB2 GLU 10 2HB GLU 10 3.817 5.592 -10.869 74 HB3 GLU 10 1HB GLU 10 5.078 4.853 -11.853 75 HG2 GLU 10 2HG GLU 10 2.080 4.568 -12.174 76 HG3 GLU 10 1HG GLU 10 3.189 5.409 -13.255 77 H TYR 11 H TYR 11 3.567 4.639 -8.271 78 HA TYR 11 HA TYR 11 6.137 5.370 -7.345 79 HB2 TYR 11 2HB TYR 11 4.220 6.626 -6.532 80 HB3 TYR 11 1HB TYR 11 3.467 5.172 -5.872 81 HD1 TYR 11 HD1 TYR 11 6.760 6.975 -5.611 82 HD2 TYR 11 HD2 TYR 11 3.642 4.923 -3.527 83 HE1 TYR 11 HE1 TYR 11 7.979 7.264 -3.510 84 HE2 TYR 11 HE2 TYR 11 4.860 5.225 -1.421 85 HH TYR 11 HH TYR 11 7.084 5.591 -0.645 86 H LEU 12 H LEU 12 4.030 2.612 -6.622 87 HA LEU 12 HA LEU 12 5.334 1.489 -4.416 88 HB2 LEU 12 2HB LEU 12 3.701 0.200 -6.627 89 HB3 LEU 12 1HB LEU 12 4.274 -0.706 -5.231 90 HG LEU 12 HG LEU 12 2.406 1.690 -5.097 91 HD11 LEU 12 1HD1 LEU 12 1.759 -1.250 -4.795 92 HD12 LEU 12 2HD1 LEU 12 1.321 -0.212 -6.155 93 HD13 LEU 12 3HD1 LEU 12 0.647 0.103 -4.560 94 HD21 LEU 12 3HD2 LEU 12 2.101 1.033 -2.726 95 HD22 LEU 12 1HD2 LEU 12 3.748 1.544 -3.086 96 HD23 LEU 12 2HD2 LEU 12 3.378 -0.172 -2.907 97 H GLU 13 H GLU 13 6.104 1.337 -7.801 98 HA GLU 13 HA GLU 13 7.954 -0.848 -7.672 99 HB2 GLU 13 2HB GLU 13 7.697 1.335 -9.778 100 HB3 GLU 13 1HB GLU 13 8.484 -0.231 -9.979 101 HG2 GLU 13 2HG GLU 13 5.527 0.279 -9.556 102 HG3 GLU 13 1HG GLU 13 6.299 -0.237 -11.051 103 H SER 14 H SER 14 8.275 2.712 -7.741 104 HA SER 14 HA SER 14 11.114 2.827 -7.671 105 HB2 SER 14 2HB SER 14 9.076 4.882 -6.728 106 HB3 SER 14 1HB SER 14 10.774 5.203 -7.106 107 HG SER 14 HG SER 14 10.323 4.467 -9.247 108 H TRP 15 H TRP 15 8.658 3.131 -5.115 109 HA TRP 15 HA TRP 15 10.234 3.277 -2.828 110 HB2 TRP 15 2HB TRP 15 7.845 3.666 -2.637 111 HB3 TRP 15 1HB TRP 15 7.467 2.067 -3.273 112 HD1 TRP 15 HD1 TRP 15 8.875 3.727 -0.069 113 HE1 TRP 15 HE1 TRP 15 8.462 2.144 1.914 114 HE3 TRP 15 HE3 TRP 15 7.064 -0.319 -2.615 115 HZ2 TRP 15 HZ2 TRP 15 7.526 -0.462 2.348 116 HZ3 TRP 15 HZ3 TRP 15 6.444 -2.333 -1.335 117 HH2 TRP 15 HH2 TRP 15 6.675 -2.396 1.106 118 H PHE 16 H PHE 16 9.044 0.456 -4.642 119 HA PHE 16 HA PHE 16 9.928 -1.581 -2.956 120 HB2 PHE 16 2HB PHE 16 8.367 -2.018 -4.803 121 HB3 PHE 16 1HB PHE 16 9.603 -1.612 -5.992 122 HD1 PHE 16 HD2 PHE 16 9.133 -3.919 -3.069 123 HD2 PHE 16 HD1 PHE 16 10.688 -3.422 -7.018 124 HE1 PHE 16 HE2 PHE 16 9.885 -6.238 -3.071 125 HE2 PHE 16 HE1 PHE 16 11.442 -5.759 -7.012 126 HZ PHE 16 HZ PHE 16 11.041 -7.172 -5.036 127 H ASN 17 H ASN 17 11.638 -0.042 -5.719 128 HA ASN 17 HA ASN 17 13.934 -1.649 -5.768 129 HB2 ASN 17 2HB ASN 17 13.501 1.241 -6.604 130 HB3 ASN 17 1HB ASN 17 15.094 0.505 -6.721 131 HD21 ASN 17 1HD2 ASN 17 11.925 0.658 -8.123 132 HD22 ASN 17 2HD2 ASN 17 12.251 -0.360 -9.477 133 H THR 18 H THR 18 13.393 1.396 -3.949 134 HA THR 18 HA THR 18 15.971 1.311 -2.678 135 HB THR 18 HB THR 18 14.878 3.478 -3.057 136 HG1 THR 18 HG1 THR 18 16.070 2.718 -0.848 137 HG21 THR 18 3HG2 THR 18 12.991 4.257 -1.679 138 HG22 THR 18 1HG2 THR 18 12.844 2.652 -0.957 139 HG23 THR 18 2HG2 THR 18 12.507 2.881 -2.675 140 H LYS 19 H LYS 19 12.868 -0.106 -1.925 141 HA LYS 19 HA LYS 19 13.276 -0.483 0.898 142 HB2 LYS 19 2HB LYS 19 11.011 -0.443 -0.303 143 HB3 LYS 19 1HB LYS 19 11.395 -2.037 -0.936 144 HG2 LYS 19 2HG LYS 19 9.922 -2.248 0.985 145 HG3 LYS 19 1HG LYS 19 11.509 -2.923 1.388 146 HD2 LYS 19 2HD LYS 19 12.093 -0.833 2.588 147 HD3 LYS 19 1HD LYS 19 10.524 -0.140 2.167 148 HE2 LYS 19 2HE LYS 19 9.409 -1.908 3.504 149 HE3 LYS 19 1HE LYS 19 10.992 -2.572 3.927 150 HZ1 LYS 19 3HZ LYS 19 11.536 -0.538 5.048 151 HZ2 LYS 19 1HZ LYS 19 10.072 -1.120 5.648 152 HZ3 LYS 19 2HZ LYS 19 10.084 0.182 4.567 153 H ARG 20 H ARG 20 13.861 -2.331 -2.034 154 HA ARG 20 HA ARG 20 14.470 -4.859 -1.097 155 HB2 ARG 20 2HB ARG 20 15.746 -3.349 -3.404 156 HB3 ARG 20 1HB ARG 20 15.978 -5.073 -3.122 157 HG2 ARG 20 2HG ARG 20 13.597 -5.485 -3.480 158 HG3 ARG 20 1HG ARG 20 13.306 -3.758 -3.662 159 HD2 ARG 20 2HD ARG 20 13.367 -4.754 -5.856 160 HD3 ARG 20 1HD ARG 20 14.804 -3.752 -5.667 161 HE ARG 20 HE ARG 20 15.592 -6.263 -4.917 162 HH11 ARG 20 1HH1 ARG 20 14.191 -4.962 -7.866 163 HH12 ARG 20 2HH1 ARG 20 14.992 -6.115 -8.888 164 HH21 ARG 20 1HH2 ARG 20 16.606 -7.765 -6.239 165 HH22 ARG 20 2HH2 ARG 20 16.368 -7.711 -7.958 166 H HIS 21 H HIS 21 16.582 -2.005 -1.206 167 HA HIS 21 HA HIS 21 19.027 -3.255 -0.532 168 HB2 HIS 21 2HB HIS 21 18.127 -0.370 -0.133 169 HB3 HIS 21 1HB HIS 21 19.787 -0.922 0.070 170 HD1 HIS 21 HD1 HIS 21 21.118 -1.529 -2.085 171 HD2 HIS 21 HD2 HIS 21 17.285 -0.092 -2.796 172 HE1 HIS 21 HE1 HIS 21 21.034 -1.014 -4.547 173 HE2 HIS 21 HE2 HIS 21 18.710 -0.123 -4.951 174 H SER 22 H SER 22 16.317 -2.383 1.468 175 HA SER 22 HA SER 22 17.821 -2.602 3.986 176 HB2 SER 22 2HB SER 22 14.878 -1.991 3.456 177 HB3 SER 22 1HB SER 22 15.675 -1.920 5.035 178 HG SER 22 HG SER 22 16.931 -0.235 4.310 179 H VAL 23 H VAL 23 15.539 -4.450 2.038 180 HA VAL 23 HA VAL 23 15.172 -6.457 4.199 181 HB VAL 23 HB VAL 23 13.147 -7.196 3.036 182 HG11 VAL 23 1HG1 VAL 23 13.135 -4.170 3.405 183 HG12 VAL 23 2HG1 VAL 23 12.871 -5.374 4.668 184 HG13 VAL 23 3HG1 VAL 23 11.703 -5.205 3.358 185 HG21 VAL 23 3HG2 VAL 23 13.805 -6.803 0.704 186 HG22 VAL 23 1HG2 VAL 23 13.729 -5.056 0.951 187 HG23 VAL 23 2HG2 VAL 23 12.256 -6.027 1.039 188 H GLY 24 H GLY 24 14.914 -8.772 3.400 189 HA2 GLY 24 2HA GLY 24 17.156 -9.642 1.861 190 HA3 GLY 24 1HA GLY 24 15.833 -10.651 2.427 191 H ILE 25 H ILE 25 17.013 -11.043 -0.084 192 HA ILE 25 HA ILE 25 15.828 -9.713 -2.262 193 HB ILE 25 HB ILE 25 16.716 -12.639 -2.290 194 HG12 ILE 25 2HG1 ILE 25 18.550 -11.309 -1.318 195 HG13 ILE 25 1HG1 ILE 25 18.996 -11.850 -2.930 196 HG21 ILE 25 1HG2 ILE 25 17.219 -12.231 -4.686 197 HG22 ILE 25 2HG2 ILE 25 16.598 -10.586 -4.539 198 HG23 ILE 25 3HG2 ILE 25 15.513 -11.962 -4.322 199 HD11 ILE 25 3HD1 ILE 25 18.080 -9.082 -2.170 200 HD12 ILE 25 1HD1 ILE 25 18.517 -9.614 -3.796 201 HD13 ILE 25 2HD1 ILE 25 19.733 -9.589 -2.517 202 H GLN 26 H GLN 26 14.939 -12.747 -0.674 203 HA GLN 26 HA GLN 26 12.530 -13.156 -2.222 204 HB2 GLN 26 2HB GLN 26 12.214 -15.150 -0.849 205 HB3 GLN 26 1HB GLN 26 13.873 -15.058 -1.426 206 HG2 GLN 26 2HG GLN 26 14.579 -14.239 0.819 207 HG3 GLN 26 1HG GLN 26 12.915 -14.395 1.380 208 HE21 GLN 26 1HE2 GLN 26 14.597 -16.687 -0.758 209 HE22 GLN 26 2HE2 GLN 26 14.588 -18.001 0.362 210 H THR 27 H THR 27 13.319 -11.682 0.843 211 HA THR 27 HA THR 27 10.759 -11.503 2.030 212 HB THR 27 HB THR 27 13.064 -9.508 2.242 213 HG1 THR 27 HG1 THR 27 12.801 -11.190 4.343 214 HG21 THR 27 3HG2 THR 27 10.964 -8.570 3.162 215 HG22 THR 27 1HG2 THR 27 12.110 -8.929 4.453 216 HG23 THR 27 2HG2 THR 27 10.747 -10.013 4.164 217 H ALA 28 H ALA 28 12.487 -9.421 -0.247 218 HA ALA 28 HA ALA 28 10.632 -7.292 -0.453 219 HB1 ALA 28 3HB ALA 28 12.997 -7.103 -1.148 220 HB2 ALA 28 1HB ALA 28 11.918 -6.681 -2.478 221 HB3 ALA 28 2HB ALA 28 12.718 -8.253 -2.452 222 H LYS 29 H LYS 29 11.061 -10.335 -2.201 223 HA LYS 29 HA LYS 29 9.243 -9.962 -4.307 224 HB2 LYS 29 2HB LYS 29 11.052 -11.565 -4.409 225 HB3 LYS 29 1HB LYS 29 10.512 -12.382 -2.955 226 HG2 LYS 29 2HG LYS 29 8.760 -12.401 -5.411 227 HG3 LYS 29 1HG LYS 29 10.167 -13.467 -5.328 228 HD2 LYS 29 2HD LYS 29 9.227 -14.318 -3.095 229 HD3 LYS 29 1HD LYS 29 7.749 -13.430 -3.479 230 HE2 LYS 29 2HE LYS 29 8.978 -15.627 -5.153 231 HE3 LYS 29 1HE LYS 29 7.574 -15.796 -4.101 232 HZ1 LYS 29 3HZ LYS 29 6.854 -15.509 -6.358 233 HZ2 LYS 29 1HZ LYS 29 7.758 -14.092 -6.527 234 HZ3 LYS 29 2HZ LYS 29 6.434 -14.129 -5.478 235 H VAL 30 H VAL 30 8.860 -11.055 -0.984 236 HA VAL 30 HA VAL 30 6.161 -12.002 -1.163 237 HB VAL 30 HB VAL 30 7.871 -11.163 1.223 238 HG11 VAL 30 1HG1 VAL 30 5.526 -10.830 1.871 239 HG12 VAL 30 2HG1 VAL 30 6.172 -12.254 2.686 240 HG13 VAL 30 3HG1 VAL 30 5.112 -12.445 1.289 241 HG21 VAL 30 3HG2 VAL 30 7.029 -13.909 0.223 242 HG22 VAL 30 1HG2 VAL 30 8.012 -13.592 1.655 243 HG23 VAL 30 2HG2 VAL 30 8.633 -13.191 0.052 244 H LEU 31 H LEU 31 7.644 -8.920 -0.111 245 HA LEU 31 HA LEU 31 5.289 -7.555 0.673 246 HB2 LEU 31 2HB LEU 31 7.876 -6.337 -0.383 247 HB3 LEU 31 1HB LEU 31 6.628 -5.468 0.500 248 HG LEU 31 HG LEU 31 8.458 -7.634 1.593 249 HD11 LEU 31 1HD1 LEU 31 9.556 -5.470 1.316 250 HD12 LEU 31 2HD1 LEU 31 9.379 -5.882 3.017 251 HD13 LEU 31 3HD1 LEU 31 8.303 -4.686 2.286 252 HD21 LEU 31 3HD2 LEU 31 6.222 -6.175 3.051 253 HD22 LEU 31 1HD2 LEU 31 7.398 -7.270 3.787 254 HD23 LEU 31 2HD2 LEU 31 6.244 -7.885 2.611 255 H LYS 32 H LYS 32 6.961 -7.777 -2.434 256 HA LYS 32 HA LYS 32 5.284 -5.878 -3.804 257 HB2 LYS 32 2HB LYS 32 7.698 -6.484 -4.437 258 HB3 LYS 32 1HB LYS 32 7.057 -7.978 -5.112 259 HG2 LYS 32 2HG LYS 32 5.614 -6.622 -6.640 260 HG3 LYS 32 1HG LYS 32 6.347 -5.155 -5.979 261 HD2 LYS 32 2HD LYS 32 8.603 -6.136 -6.742 262 HD3 LYS 32 1HD LYS 32 7.662 -7.328 -7.643 263 HE2 LYS 32 2HE LYS 32 7.542 -4.317 -7.999 264 HE3 LYS 32 1HE LYS 32 8.326 -5.460 -9.087 265 HZ1 LYS 32 3HZ LYS 32 6.153 -4.777 -9.884 266 HZ2 LYS 32 1HZ LYS 32 5.422 -5.376 -8.481 267 HZ3 LYS 32 2HZ LYS 32 6.182 -6.439 -9.558 268 H GLY 33 H GLY 33 5.366 -9.359 -3.329 269 HA2 GLY 33 2HA GLY 33 3.415 -10.223 -5.148 270 HA3 GLY 33 1HA GLY 33 3.798 -10.998 -3.616 271 H TYR 34 H TYR 34 3.082 -8.561 -2.074 272 HA TYR 34 HA TYR 34 0.219 -8.889 -1.847 273 HB2 TYR 34 2HB TYR 34 2.098 -6.897 -0.497 274 HB3 TYR 34 1HB TYR 34 0.415 -7.166 -0.053 275 HD1 TYR 34 HD2 TYR 34 0.363 -10.196 -0.249 276 HD2 TYR 34 HD1 TYR 34 3.190 -7.527 1.548 277 HE1 TYR 34 HE2 TYR 34 1.050 -11.960 1.308 278 HE2 TYR 34 HE1 TYR 34 3.862 -9.298 3.110 279 HH TYR 34 HH TYR 34 3.126 -12.509 2.644 280 H LEU 35 H LEU 35 2.464 -6.482 -3.146 281 HA LEU 35 HA LEU 35 0.652 -4.324 -3.444 282 HB2 LEU 35 2HB LEU 35 3.250 -4.926 -4.907 283 HB3 LEU 35 1HB LEU 35 2.373 -3.406 -5.045 284 HG LEU 35 HG LEU 35 3.619 -4.499 -2.492 285 HD11 LEU 35 1HD1 LEU 35 5.321 -3.764 -4.086 286 HD12 LEU 35 2HD1 LEU 35 5.240 -2.669 -2.710 287 HD13 LEU 35 3HD1 LEU 35 4.521 -2.198 -4.250 288 HD21 LEU 35 3HD2 LEU 35 2.136 -1.896 -3.001 289 HD22 LEU 35 1HD2 LEU 35 3.046 -2.271 -1.536 290 HD23 LEU 35 2HD2 LEU 35 1.628 -3.224 -1.954 291 H ASN 36 H ASN 36 1.969 -6.539 -5.927 292 HA ASN 36 HA ASN 36 0.398 -5.484 -8.039 293 HB2 ASN 36 2HB ASN 36 1.258 -7.517 -9.328 294 HB3 ASN 36 1HB ASN 36 2.470 -6.437 -8.651 295 HD21 ASN 36 1HD2 ASN 36 4.094 -7.958 -8.586 296 HD22 ASN 36 2HD2 ASN 36 4.090 -9.312 -7.517 297 H SER 37 H SER 37 -0.396 -7.779 -5.635 298 HA SER 37 HA SER 37 -2.512 -9.084 -7.206 299 HB2 SER 37 2HB SER 37 -1.502 -9.608 -4.379 300 HB3 SER 37 1HB SER 37 -2.711 -10.580 -5.222 301 HG SER 37 HG SER 37 0.009 -10.199 -5.949 302 H ARG 38 H ARG 38 -2.226 -7.239 -4.134 303 HA ARG 38 HA ARG 38 -5.156 -6.976 -3.988 304 HB2 ARG 38 2HB ARG 38 -2.991 -6.578 -1.893 305 HB3 ARG 38 1HB ARG 38 -4.661 -6.088 -1.628 306 HG2 ARG 38 2HG ARG 38 -3.730 -8.935 -2.178 307 HG3 ARG 38 1HG ARG 38 -4.154 -8.273 -0.599 308 HD2 ARG 38 2HD ARG 38 -6.068 -9.507 -1.321 309 HD3 ARG 38 1HD ARG 38 -6.490 -7.806 -1.538 310 HE ARG 38 HE ARG 38 -5.425 -9.241 -3.862 311 HH11 ARG 38 1HH1 ARG 38 -8.286 -7.906 -2.314 312 HH12 ARG 38 2HH1 ARG 38 -9.278 -8.117 -3.717 313 HH21 ARG 38 1HH2 ARG 38 -6.721 -9.444 -5.696 314 HH22 ARG 38 2HH2 ARG 38 -8.392 -8.977 -5.635 315 H ILE 39 H ILE 39 -2.258 -4.872 -3.729 316 HA ILE 39 HA ILE 39 -3.846 -2.533 -3.268 317 HB ILE 39 HB ILE 39 -0.857 -2.795 -3.831 318 HG12 ILE 39 2HG1 ILE 39 -0.723 -2.025 -1.345 319 HG13 ILE 39 1HG1 ILE 39 -2.436 -2.395 -1.244 320 HG21 ILE 39 1HG2 ILE 39 -0.652 -0.431 -3.105 321 HG22 ILE 39 2HG2 ILE 39 -2.413 -0.308 -3.030 322 HG23 ILE 39 3HG2 ILE 39 -1.613 -0.591 -4.578 323 HD11 ILE 39 3HD1 ILE 39 -1.092 -4.147 -0.301 324 HD12 ILE 39 1HD1 ILE 39 -0.216 -4.344 -1.816 325 HD13 ILE 39 2HD1 ILE 39 -1.934 -4.742 -1.731 326 H ILE 40 H ILE 40 -2.088 -3.790 -6.132 327 HA ILE 40 HA ILE 40 -2.206 -1.446 -7.673 328 HB ILE 40 HB ILE 40 -1.836 -4.318 -8.585 329 HG12 ILE 40 2HG1 ILE 40 -0.008 -3.402 -7.190 330 HG13 ILE 40 1HG1 ILE 40 0.547 -3.696 -8.831 331 HG21 ILE 40 1HG2 ILE 40 -2.764 -3.126 -10.491 332 HG22 ILE 40 2HG2 ILE 40 -1.054 -3.432 -10.785 333 HG23 ILE 40 3HG2 ILE 40 -1.592 -1.819 -10.304 334 HD11 ILE 40 3HD1 ILE 40 1.437 -1.664 -7.921 335 HD12 ILE 40 1HD1 ILE 40 -0.184 -1.029 -7.656 336 HD13 ILE 40 2HD1 ILE 40 0.397 -1.318 -9.301 337 HA PRO 41 HA PRO 41 -6.273 -3.405 -9.852 338 HB2 PRO 41 2HB PRO 41 -7.291 -4.938 -7.449 339 HB3 PRO 41 1HB PRO 41 -7.487 -5.293 -9.174 340 HG2 PRO 41 2HG PRO 41 -5.737 -6.674 -7.749 341 HG3 PRO 41 1HG PRO 41 -5.289 -6.117 -9.378 342 HD2 PRO 41 2HD PRO 41 -4.511 -4.954 -6.696 343 HD3 PRO 41 1HD PRO 41 -3.508 -5.214 -8.142 344 H SER 42 H SER 42 -5.959 -2.320 -6.520 345 HA SER 42 HA SER 42 -8.519 -0.829 -6.666 346 HB2 SER 42 2HB SER 42 -8.386 -2.347 -4.761 347 HB3 SER 42 1HB SER 42 -6.823 -1.692 -4.284 348 HG SER 42 HG SER 42 -8.892 -0.938 -3.216 349 H LEU 43 H LEU 43 -5.471 -0.265 -4.904 350 HA LEU 43 HA LEU 43 -5.817 2.612 -5.036 351 HB2 LEU 43 2HB LEU 43 -3.684 0.925 -3.667 352 HB3 LEU 43 1HB LEU 43 -3.962 2.641 -3.395 353 HG LEU 43 HG LEU 43 -6.013 0.471 -2.759 354 HD11 LEU 43 1HD1 LEU 43 -5.422 0.750 -0.406 355 HD12 LEU 43 2HD1 LEU 43 -4.112 1.852 -0.840 356 HD13 LEU 43 3HD1 LEU 43 -4.051 0.158 -1.343 357 HD21 LEU 43 3HD2 LEU 43 -5.942 3.408 -1.976 358 HD22 LEU 43 1HD2 LEU 43 -7.153 2.224 -1.470 359 HD23 LEU 43 2HD2 LEU 43 -7.015 2.671 -3.168 360 H GLY 44 H GLY 44 -3.932 0.228 -6.684 361 HA2 GLY 44 2HA GLY 44 -1.603 1.772 -7.295 362 HA3 GLY 44 1HA GLY 44 -2.091 0.266 -8.052 363 H ASN 45 H ASN 45 -4.518 0.883 -9.187 364 HA ASN 45 HA ASN 45 -3.945 2.390 -11.505 365 HB2 ASN 45 2HB ASN 45 -6.624 1.523 -10.327 366 HB3 ASN 45 1HB ASN 45 -6.461 2.301 -11.901 367 HD21 ASN 45 1HD2 ASN 45 -6.007 -0.633 -10.112 368 HD22 ASN 45 2HD2 ASN 45 -5.592 -1.630 -11.459 369 H ILE 46 H ILE 46 -5.252 3.330 -8.387 370 HA ILE 46 HA ILE 46 -6.207 5.928 -9.206 371 HB ILE 46 HB ILE 46 -5.572 4.905 -6.392 372 HG12 ILE 46 2HG1 ILE 46 -8.262 4.931 -7.848 373 HG13 ILE 46 1HG1 ILE 46 -7.279 3.500 -7.567 374 HG21 ILE 46 1HG2 ILE 46 -7.293 7.271 -7.250 375 HG22 ILE 46 2HG2 ILE 46 -5.703 7.374 -6.492 376 HG23 ILE 46 3HG2 ILE 46 -7.062 6.710 -5.591 377 HD11 ILE 46 3HD1 ILE 46 -8.630 5.189 -5.467 378 HD12 ILE 46 1HD1 ILE 46 -7.561 3.826 -5.135 379 HD13 ILE 46 2HD1 ILE 46 -9.079 3.567 -5.991 380 H LYS 47 H LYS 47 -5.105 7.883 -9.135 381 HA LYS 47 HA LYS 47 -2.259 7.932 -9.102 382 HB2 LYS 47 2HB LYS 47 -4.142 10.315 -8.878 383 HB3 LYS 47 1HB LYS 47 -2.459 10.356 -9.398 384 HG2 LYS 47 2HG LYS 47 -4.769 9.062 -10.877 385 HG3 LYS 47 1HG LYS 47 -3.995 10.589 -11.296 386 HD2 LYS 47 2HD LYS 47 -1.892 9.394 -11.815 387 HD3 LYS 47 1HD LYS 47 -2.627 7.862 -11.336 388 HE2 LYS 47 2HE LYS 47 -4.257 8.065 -13.191 389 HE3 LYS 47 1HE LYS 47 -3.521 9.597 -13.670 390 HZ1 LYS 47 3HZ LYS 47 -1.456 8.420 -14.096 391 HZ2 LYS 47 1HZ LYS 47 -2.722 7.778 -15.015 392 HZ3 LYS 47 2HZ LYS 47 -2.173 6.957 -13.643 393 H LEU 48 H LEU 48 -0.846 8.869 -7.559 394 HA LEU 48 HA LEU 48 -1.265 8.069 -4.920 395 HB2 LEU 48 2HB LEU 48 0.948 8.270 -5.971 396 HB3 LEU 48 1HB LEU 48 0.771 10.011 -6.067 397 HG LEU 48 HG LEU 48 0.886 10.174 -3.593 398 HD11 LEU 48 1HD1 LEU 48 -0.081 8.009 -2.994 399 HD12 LEU 48 2HD1 LEU 48 1.479 8.246 -2.212 400 HD13 LEU 48 3HD1 LEU 48 1.350 7.183 -3.614 401 HD21 LEU 48 3HD2 LEU 48 2.956 10.400 -4.886 402 HD22 LEU 48 1HD2 LEU 48 3.219 8.653 -4.813 403 HD23 LEU 48 2HD2 LEU 48 3.279 9.622 -3.338 404 H ALA 49 H ALA 49 -1.562 11.321 -6.342 405 HA ALA 49 HA ALA 49 -2.148 12.743 -3.928 406 HB1 ALA 49 3HB ALA 49 -1.301 13.887 -5.942 407 HB2 ALA 49 1HB ALA 49 -2.835 14.592 -5.422 408 HB3 ALA 49 2HB ALA 49 -2.785 13.496 -6.809 409 H LYS 50 H LYS 50 -4.091 10.917 -6.198 410 HA LYS 50 HA LYS 50 -6.679 11.884 -5.294 411 HB2 LYS 50 2HB LYS 50 -5.903 9.608 -7.174 412 HB3 LYS 50 1HB LYS 50 -7.567 10.078 -6.837 413 HG2 LYS 50 2HG LYS 50 -5.459 11.826 -8.157 414 HG3 LYS 50 1HG LYS 50 -6.788 10.992 -8.975 415 HD2 LYS 50 2HD LYS 50 -8.417 12.340 -7.634 416 HD3 LYS 50 1HD LYS 50 -7.067 13.213 -6.902 417 HE2 LYS 50 2HE LYS 50 -8.027 14.544 -8.697 418 HE3 LYS 50 1HE LYS 50 -6.411 14.019 -9.178 419 HZ1 LYS 50 3HZ LYS 50 -8.019 13.769 -10.970 420 HZ2 LYS 50 1HZ LYS 50 -8.957 12.735 -10.013 421 HZ3 LYS 50 2HZ LYS 50 -7.408 12.271 -10.494 422 H LEU 51 H LEU 51 -4.463 9.571 -4.105 423 HA LEU 51 HA LEU 51 -6.235 7.646 -2.991 424 HB2 LEU 51 2HB LEU 51 -3.356 8.358 -2.584 425 HB3 LEU 51 1HB LEU 51 -4.135 7.613 -1.203 426 HG LEU 51 HG LEU 51 -4.793 5.678 -2.693 427 HD11 LEU 51 1HD1 LEU 51 -3.643 5.325 -4.798 428 HD12 LEU 51 2HD1 LEU 51 -2.861 6.902 -4.671 429 HD13 LEU 51 3HD1 LEU 51 -4.610 6.797 -4.869 430 HD21 LEU 51 3HD2 LEU 51 -1.813 6.174 -2.396 431 HD22 LEU 51 1HD2 LEU 51 -2.610 4.607 -2.568 432 HD23 LEU 51 2HD2 LEU 51 -2.887 5.581 -1.128 433 H THR 52 H THR 52 -7.978 8.654 -2.011 434 HA THR 52 HA THR 52 -7.550 10.231 0.415 435 HB THR 52 HB THR 52 -9.466 10.848 -1.016 436 HG1 THR 52 HG1 THR 52 -9.982 11.397 0.983 437 HG21 THR 52 3HG2 THR 52 -11.466 9.424 -1.189 438 HG22 THR 52 1HG2 THR 52 -10.623 8.117 -0.349 439 HG23 THR 52 2HG2 THR 52 -10.072 8.648 -1.941 440 H SER 53 H SER 53 -8.595 9.503 2.453 441 HA SER 53 HA SER 53 -7.678 6.922 3.248 442 HB2 SER 53 2HB SER 53 -8.809 7.568 5.455 443 HB3 SER 53 1HB SER 53 -7.591 8.701 4.864 444 HG SER 53 HG SER 53 -10.410 8.940 4.806 445 H LEU 54 H LEU 54 -10.747 8.135 2.110 446 HA LEU 54 HA LEU 54 -12.495 6.086 2.961 447 HB2 LEU 54 2HB LEU 54 -13.281 8.228 1.976 448 HB3 LEU 54 1HB LEU 54 -12.604 7.763 0.426 449 HG LEU 54 HG LEU 54 -14.232 5.869 0.292 450 HD11 LEU 54 1HD1 LEU 54 -14.600 5.449 2.661 451 HD12 LEU 54 2HD1 LEU 54 -16.129 5.721 1.832 452 HD13 LEU 54 3HD1 LEU 54 -15.434 6.998 2.835 453 HD21 LEU 54 3HD2 LEU 54 -16.228 7.212 -0.212 454 HD22 LEU 54 1HD2 LEU 54 -14.760 7.987 -0.813 455 HD23 LEU 54 2HD2 LEU 54 -15.536 8.587 0.656 456 H HIS 55 H HIS 55 -10.263 6.289 0.222 457 HA HIS 55 HA HIS 55 -11.025 3.964 -1.226 458 HB2 HIS 55 2HB HIS 55 -8.342 5.397 -1.053 459 HB3 HIS 55 1HB HIS 55 -8.652 4.058 -2.151 460 HD1 HIS 55 HD1 HIS 55 -7.790 6.684 -3.308 461 HD2 HIS 55 HD2 HIS 55 -11.777 5.651 -2.762 462 HE1 HIS 55 HE1 HIS 55 -9.066 8.080 -4.938 463 HE2 HIS 55 HE2 HIS 55 -11.491 7.482 -4.563 464 H MET 56 H MET 56 -9.029 4.473 1.586 465 HA MET 56 HA MET 56 -7.798 1.862 1.627 466 HB2 MET 56 2HB MET 56 -7.978 4.000 3.791 467 HB3 MET 56 1HB MET 56 -6.941 2.571 3.850 468 HG2 MET 56 2HG MET 56 -6.752 4.799 1.813 469 HG3 MET 56 1HG MET 56 -5.699 4.584 3.215 470 HE1 MET 56 3HE MET 56 -4.673 4.847 0.165 471 HE2 MET 56 1HE MET 56 -3.396 3.631 0.180 472 HE3 MET 56 2HE MET 56 -3.612 4.703 1.565 473 H GLN 57 H GLN 57 -10.570 3.437 3.189 474 HA GLN 57 HA GLN 57 -11.406 1.318 4.883 475 HB2 GLN 57 2HB GLN 57 -12.332 3.566 5.174 476 HB3 GLN 57 1HB GLN 57 -13.003 3.551 3.550 477 HG2 GLN 57 2HG GLN 57 -14.757 3.246 5.231 478 HG3 GLN 57 1HG GLN 57 -14.619 1.814 4.217 479 HE21 GLN 57 1HE2 GLN 57 -13.922 -0.137 5.154 480 HE22 GLN 57 2HE2 GLN 57 -13.768 -0.351 6.864 481 H ASN 58 H ASN 58 -12.327 2.204 1.560 482 HA ASN 58 HA ASN 58 -14.108 0.068 1.018 483 HB2 ASN 58 2HB ASN 58 -12.488 1.817 -0.889 484 HB3 ASN 58 1HB ASN 58 -13.772 0.723 -1.401 485 HD21 ASN 58 1HD2 ASN 58 -13.546 3.668 -1.637 486 HD22 ASN 58 2HD2 ASN 58 -14.969 4.297 -0.887 487 H TYR 59 H TYR 59 -10.633 0.432 0.781 488 HA TYR 59 HA TYR 59 -9.978 -1.910 -0.658 489 HB2 TYR 59 2HB TYR 59 -8.362 -0.089 -0.325 490 HB3 TYR 59 1HB TYR 59 -8.392 -0.332 1.414 491 HD1 TYR 59 HD2 TYR 59 -7.350 -1.918 -1.813 492 HD2 TYR 59 HD1 TYR 59 -6.936 -1.932 2.444 493 HE1 TYR 59 HE2 TYR 59 -5.465 -3.487 -1.991 494 HE2 TYR 59 HE1 TYR 59 -5.062 -3.496 2.261 495 HH TYR 59 HH TYR 59 -3.547 -4.207 -0.701 496 H VAL 60 H VAL 60 -10.286 -1.263 2.849 497 HA VAL 60 HA VAL 60 -9.686 -3.884 3.770 498 HB VAL 60 HB VAL 60 -11.250 -1.624 5.088 499 HG11 VAL 60 1HG1 VAL 60 -10.979 -2.826 7.245 500 HG12 VAL 60 2HG1 VAL 60 -10.296 -4.212 6.391 501 HG13 VAL 60 3HG1 VAL 60 -11.978 -3.749 6.119 502 HG21 VAL 60 3HG2 VAL 60 -8.399 -2.615 5.503 503 HG22 VAL 60 1HG2 VAL 60 -9.172 -1.312 6.413 504 HG23 VAL 60 2HG2 VAL 60 -8.872 -1.126 4.685 505 H ASN 61 H ASN 61 -12.674 -2.402 2.640 506 HA ASN 61 HA ASN 61 -14.508 -4.371 3.537 507 HB2 ASN 61 2HB ASN 61 -14.725 -2.402 1.226 508 HB3 ASN 61 1HB ASN 61 -16.066 -3.370 1.833 509 HD21 ASN 61 1HD2 ASN 61 -15.766 -0.451 1.724 510 HD22 ASN 61 2HD2 ASN 61 -15.978 0.102 3.347 511 H SER 62 H SER 62 -12.565 -4.072 0.566 512 HA SER 62 HA SER 62 -13.677 -6.383 -0.722 513 HB2 SER 62 2HB SER 62 -11.930 -6.162 -2.377 514 HB3 SER 62 1HB SER 62 -12.451 -4.531 -1.956 515 HG SER 62 HG SER 62 -10.457 -5.191 -0.330 516 H LEU 63 H LEU 63 -11.029 -5.856 1.580 517 HA LEU 63 HA LEU 63 -9.724 -8.384 1.285 518 HB2 LEU 63 2HB LEU 63 -9.823 -6.674 3.801 519 HB3 LEU 63 1HB LEU 63 -8.621 -7.893 3.405 520 HG LEU 63 HG LEU 63 -8.987 -5.204 2.047 521 HD11 LEU 63 1HD1 LEU 63 -6.805 -4.651 2.982 522 HD12 LEU 63 2HD1 LEU 63 -6.738 -6.215 3.795 523 HD13 LEU 63 3HD1 LEU 63 -7.974 -5.036 4.242 524 HD21 LEU 63 3HD2 LEU 63 -6.970 -7.361 1.371 525 HD22 LEU 63 1HD2 LEU 63 -7.008 -5.729 0.698 526 HD23 LEU 63 2HD2 LEU 63 -8.327 -6.846 0.368 527 H ARG 64 H ARG 64 -12.391 -7.220 3.265 528 HA ARG 64 HA ARG 64 -12.888 -9.539 4.829 529 HB2 ARG 64 2HB ARG 64 -13.823 -7.259 5.315 530 HB3 ARG 64 1HB ARG 64 -14.835 -7.378 3.877 531 HG2 ARG 64 2HG ARG 64 -15.912 -9.421 4.934 532 HG3 ARG 64 1HG ARG 64 -15.017 -9.046 6.408 533 HD2 ARG 64 2HD ARG 64 -16.162 -6.850 6.517 534 HD3 ARG 64 1HD ARG 64 -17.060 -7.254 5.047 535 HE ARG 64 HE ARG 64 -17.303 -9.086 7.308 536 HH11 ARG 64 1HH1 ARG 64 -18.815 -6.513 5.455 537 HH12 ARG 64 2HH1 ARG 64 -20.372 -6.760 6.173 538 HH21 ARG 64 1HH2 ARG 64 -19.331 -9.379 8.258 539 HH22 ARG 64 2HH2 ARG 64 -20.658 -8.378 7.764 540 H ASP 65 H ASP 65 -14.015 -8.416 1.662 541 HA ASP 65 HA ASP 65 -15.817 -10.515 1.036 542 HB2 ASP 65 2HB ASP 65 -15.867 -8.321 -0.127 543 HB3 ASP 65 1HB ASP 65 -14.280 -8.636 -0.818 544 H GLU 66 H GLU 66 -12.342 -10.114 0.557 545 HA GLU 66 HA GLU 66 -11.860 -12.458 -1.006 546 HB2 GLU 66 2HB GLU 66 -9.977 -10.844 0.779 547 HB3 GLU 66 1HB GLU 66 -9.457 -12.131 -0.305 548 HG2 GLU 66 2HG GLU 66 -10.714 -9.503 -1.131 549 HG3 GLU 66 1HG GLU 66 -9.005 -9.910 -1.232 550 H GLY 67 H GLY 67 -12.419 -11.850 2.342 551 HA2 GLY 67 2HA GLY 67 -12.603 -13.223 4.163 552 HA3 GLY 67 1HA GLY 67 -12.307 -14.606 3.119 553 H LEU 68 H LEU 68 -10.081 -11.918 3.242 554 HA LEU 68 HA LEU 68 -7.842 -13.510 3.928 555 HB2 LEU 68 2HB LEU 68 -8.127 -10.481 3.968 556 HB3 LEU 68 1HB LEU 68 -6.602 -11.345 4.116 557 HG LEU 68 HG LEU 68 -8.399 -11.270 1.666 558 HD11 LEU 68 1HD1 LEU 68 -5.652 -10.071 2.113 559 HD12 LEU 68 2HD1 LEU 68 -7.178 -9.189 2.009 560 HD13 LEU 68 3HD1 LEU 68 -6.564 -10.047 0.599 561 HD21 LEU 68 3HD2 LEU 68 -5.777 -12.751 2.040 562 HD22 LEU 68 1HD2 LEU 68 -6.633 -12.549 0.507 563 HD23 LEU 68 2HD2 LEU 68 -7.374 -13.472 1.811 564 H LYS 69 H LYS 69 -6.723 -13.707 5.789 565 HA LYS 69 HA LYS 69 -8.108 -13.257 8.303 566 HB2 LYS 69 2HB LYS 69 -6.250 -14.568 9.290 567 HB3 LYS 69 1HB LYS 69 -7.012 -15.400 7.940 568 HG2 LYS 69 2HG LYS 69 -5.122 -14.660 6.470 569 HG3 LYS 69 1HG LYS 69 -4.344 -13.952 7.887 570 HD2 LYS 69 2HD LYS 69 -3.406 -16.171 7.356 571 HD3 LYS 69 1HD LYS 69 -4.184 -16.171 8.941 572 HE2 LYS 69 2HE LYS 69 -4.724 -18.225 7.719 573 HE3 LYS 69 1HE LYS 69 -6.179 -17.258 7.937 574 HZ1 LYS 69 3HZ LYS 69 -5.969 -16.485 5.656 575 HZ2 LYS 69 1HZ LYS 69 -6.024 -18.174 5.707 576 HZ3 LYS 69 2HZ LYS 69 -4.555 -17.384 5.452 577 H ARG 70 H ARG 70 -6.921 -12.305 10.173 578 HA ARG 70 HA ARG 70 -6.115 -9.684 9.723 579 HB2 ARG 70 2HB ARG 70 -5.437 -9.532 12.058 580 HB3 ARG 70 1HB ARG 70 -6.930 -10.456 11.931 581 HG2 ARG 70 2HG ARG 70 -5.848 -12.515 12.417 582 HG3 ARG 70 1HG ARG 70 -4.240 -11.842 12.129 583 HD2 ARG 70 2HD ARG 70 -6.069 -11.024 14.416 584 HD3 ARG 70 1HD ARG 70 -4.759 -12.204 14.539 585 HE ARG 70 HE ARG 70 -3.706 -9.804 13.498 586 HH11 ARG 70 1HH1 ARG 70 -5.006 -11.001 16.547 587 HH12 ARG 70 2HH1 ARG 70 -4.021 -9.943 17.507 588 HH21 ARG 70 1HH2 ARG 70 -2.406 -8.474 14.763 589 HH22 ARG 70 2HH2 ARG 70 -2.533 -8.515 16.493 590 H GLY 71 H GLY 71 -4.131 -12.598 9.958 591 HA2 GLY 71 2HA GLY 71 -1.567 -11.555 10.055 592 HA3 GLY 71 1HA GLY 71 -2.011 -13.021 9.187 593 H THR 72 H THR 72 -3.541 -12.162 7.149 594 HA THR 72 HA THR 72 -1.623 -11.140 5.290 595 HB THR 72 HB THR 72 -4.617 -11.571 4.858 596 HG1 THR 72 HG1 THR 72 -2.461 -13.410 4.444 597 HG21 THR 72 3HG2 THR 72 -3.983 -11.917 2.486 598 HG22 THR 72 1HG2 THR 72 -2.293 -11.574 2.873 599 HG23 THR 72 2HG2 THR 72 -3.510 -10.304 3.020 600 H ILE 73 H ILE 73 -4.664 -9.819 6.654 601 HA ILE 73 HA ILE 73 -4.761 -7.438 5.148 602 HB ILE 73 HB ILE 73 -6.034 -8.021 7.861 603 HG12 ILE 73 2HG1 ILE 73 -7.185 -8.264 5.043 604 HG13 ILE 73 1HG1 ILE 73 -6.741 -9.608 6.087 605 HG21 ILE 73 1HG2 ILE 73 -5.961 -5.594 7.483 606 HG22 ILE 73 2HG2 ILE 73 -7.618 -6.181 7.373 607 HG23 ILE 73 3HG2 ILE 73 -6.720 -5.798 5.905 608 HD11 ILE 73 3HD1 ILE 73 -9.141 -9.287 6.039 609 HD12 ILE 73 1HD1 ILE 73 -8.963 -7.624 6.598 610 HD13 ILE 73 2HD1 ILE 73 -8.521 -8.967 7.657 611 H GLU 74 H GLU 74 -3.403 -8.128 8.337 612 HA GLU 74 HA GLU 74 -2.750 -5.528 9.174 613 HB2 GLU 74 2HB GLU 74 -2.746 -7.575 10.608 614 HB3 GLU 74 1HB GLU 74 -1.282 -8.126 9.803 615 HG2 GLU 74 2HG GLU 74 -0.068 -6.159 10.722 616 HG3 GLU 74 1HG GLU 74 -1.549 -5.641 11.534 617 H LYS 75 H LYS 75 -0.831 -7.965 7.407 618 HA LYS 75 HA LYS 75 1.587 -6.458 7.362 619 HB2 LYS 75 2HB LYS 75 0.716 -8.857 5.707 620 HB3 LYS 75 1HB LYS 75 2.344 -8.175 5.669 621 HG2 LYS 75 2HG LYS 75 2.565 -8.662 8.109 622 HG3 LYS 75 1HG LYS 75 0.972 -9.425 8.076 623 HD2 LYS 75 2HD LYS 75 3.443 -10.325 6.538 624 HD3 LYS 75 1HD LYS 75 2.740 -11.121 7.948 625 HE2 LYS 75 2HE LYS 75 0.716 -11.655 6.661 626 HE3 LYS 75 1HE LYS 75 1.356 -10.788 5.262 627 HZ1 LYS 75 3HZ LYS 75 1.644 -13.172 5.106 628 HZ2 LYS 75 1HZ LYS 75 2.603 -13.173 6.495 629 HZ3 LYS 75 2HZ LYS 75 3.124 -12.365 5.100 630 H ILE 76 H ILE 76 -1.053 -6.876 4.992 631 HA ILE 76 HA ILE 76 0.369 -5.561 2.869 632 HB ILE 76 HB ILE 76 -1.721 -5.584 1.573 633 HG12 ILE 76 2HG1 ILE 76 -3.040 -6.527 4.157 634 HG13 ILE 76 1HG1 ILE 76 -3.409 -5.060 3.256 635 HG21 ILE 76 1HG2 ILE 76 -1.305 -8.219 3.032 636 HG22 ILE 76 2HG2 ILE 76 -0.345 -7.634 1.676 637 HG23 ILE 76 3HG2 ILE 76 -2.049 -8.013 1.443 638 HD11 ILE 76 3HD1 ILE 76 -5.127 -6.716 2.933 639 HD12 ILE 76 1HD1 ILE 76 -3.951 -7.897 2.368 640 HD13 ILE 76 2HD1 ILE 76 -4.282 -6.450 1.411 641 H ILE 77 H ILE 77 -2.015 -4.468 5.300 642 HA ILE 77 HA ILE 77 -2.169 -1.755 4.491 643 HB ILE 77 HB ILE 77 -2.547 -3.034 7.231 644 HG12 ILE 77 2HG1 ILE 77 -4.268 -3.645 5.560 645 HG13 ILE 77 1HG1 ILE 77 -4.965 -2.658 6.833 646 HG21 ILE 77 1HG2 ILE 77 -3.094 -0.130 6.523 647 HG22 ILE 77 2HG2 ILE 77 -1.883 -0.720 7.661 648 HG23 ILE 77 3HG2 ILE 77 -3.597 -0.925 8.018 649 HD11 ILE 77 3HD1 ILE 77 -5.843 -2.049 4.663 650 HD12 ILE 77 1HD1 ILE 77 -4.217 -1.713 4.065 651 HD13 ILE 77 2HD1 ILE 77 -4.914 -0.712 5.345 652 H LYS 78 H LYS 78 0.197 -3.500 6.515 653 HA LYS 78 HA LYS 78 1.731 -1.298 7.414 654 HB2 LYS 78 2HB LYS 78 2.568 -4.170 6.876 655 HB3 LYS 78 1HB LYS 78 3.649 -2.983 7.593 656 HG2 LYS 78 2HG LYS 78 1.033 -3.934 8.795 657 HG3 LYS 78 1HG LYS 78 2.648 -4.464 9.275 658 HD2 LYS 78 2HD LYS 78 3.186 -2.121 9.938 659 HD3 LYS 78 1HD LYS 78 1.543 -1.636 9.501 660 HE2 LYS 78 2HE LYS 78 0.635 -3.126 11.238 661 HE3 LYS 78 1HE LYS 78 2.272 -3.652 11.655 662 HZ1 LYS 78 3HZ LYS 78 2.811 -1.393 12.268 663 HZ2 LYS 78 1HZ LYS 78 1.473 -1.940 13.146 664 HZ3 LYS 78 2HZ LYS 78 1.253 -0.878 11.850 665 H VAL 79 H VAL 79 1.941 -3.248 4.460 666 HA VAL 79 HA VAL 79 4.320 -2.110 3.399 667 HB VAL 79 HB VAL 79 2.058 -3.583 1.956 668 HG11 VAL 79 1HG1 VAL 79 4.896 -3.052 1.011 669 HG12 VAL 79 2HG1 VAL 79 3.442 -2.292 0.364 670 HG13 VAL 79 3HG1 VAL 79 3.696 -4.027 0.162 671 HG21 VAL 79 3HG2 VAL 79 3.491 -5.586 2.128 672 HG22 VAL 79 1HG2 VAL 79 3.114 -4.953 3.730 673 HG23 VAL 79 2HG2 VAL 79 4.700 -4.659 3.020 674 H ILE 80 H ILE 80 0.846 -1.403 2.869 675 HA ILE 80 HA ILE 80 1.115 0.660 0.944 676 HB ILE 80 HB ILE 80 -1.056 0.379 3.077 677 HG12 ILE 80 2HG1 ILE 80 -1.129 -0.600 0.192 678 HG13 ILE 80 1HG1 ILE 80 -0.771 -1.628 1.571 679 HG21 ILE 80 1HG2 ILE 80 -2.493 1.711 1.549 680 HG22 ILE 80 2HG2 ILE 80 -1.127 1.940 0.456 681 HG23 ILE 80 3HG2 ILE 80 -1.086 2.633 2.078 682 HD11 ILE 80 3HD1 ILE 80 -3.072 -1.866 0.838 683 HD12 ILE 80 1HD1 ILE 80 -3.363 -0.152 1.120 684 HD13 ILE 80 2HD1 ILE 80 -2.998 -1.222 2.475 685 H ARG 81 H ARG 81 0.816 0.799 4.477 686 HA ARG 81 HA ARG 81 0.979 3.568 4.865 687 HB2 ARG 81 2HB ARG 81 1.660 1.240 6.695 688 HB3 ARG 81 1HB ARG 81 1.846 2.910 7.225 689 HG2 ARG 81 2HG ARG 81 -0.563 3.312 6.803 690 HG3 ARG 81 1HG ARG 81 -0.755 1.622 6.327 691 HD2 ARG 81 2HD ARG 81 -0.183 0.873 8.568 692 HD3 ARG 81 1HD ARG 81 0.233 2.520 9.061 693 HE ARG 81 HE ARG 81 -2.519 2.051 8.164 694 HH11 ARG 81 1HH1 ARG 81 -0.364 2.414 10.912 695 HH12 ARG 81 2HH1 ARG 81 -1.639 2.842 12.001 696 HH21 ARG 81 1HH2 ARG 81 -4.155 2.623 9.603 697 HH22 ARG 81 2HH2 ARG 81 -3.789 2.951 11.266 698 H ASN 82 H ASN 82 3.552 1.110 4.741 699 HA ASN 82 HA ASN 82 5.693 2.814 5.505 700 HB2 ASN 82 2HB ASN 82 5.749 0.279 5.567 701 HB3 ASN 82 1HB ASN 82 5.897 0.283 3.813 702 HD21 ASN 82 1HD2 ASN 82 7.489 1.040 6.823 703 HD22 ASN 82 2HD2 ASN 82 9.082 1.200 6.178 704 H SER 83 H SER 83 4.312 1.928 2.378 705 HA SER 83 HA SER 83 6.105 3.274 0.676 706 HB2 SER 83 2HB SER 83 3.128 2.759 0.282 707 HB3 SER 83 1HB SER 83 4.266 3.205 -0.991 708 HG SER 83 HG SER 83 3.782 0.775 0.133 709 H LEU 84 H LEU 84 3.023 4.354 2.139 710 HA LEU 84 HA LEU 84 3.060 6.962 0.991 711 HB2 LEU 84 2HB LEU 84 1.504 5.867 3.359 712 HB3 LEU 84 1HB LEU 84 1.223 7.447 2.639 713 HG LEU 84 HG LEU 84 0.794 4.755 1.275 714 HD11 LEU 84 1HD1 LEU 84 -0.904 5.258 2.951 715 HD12 LEU 84 2HD1 LEU 84 -1.580 5.327 1.328 716 HD13 LEU 84 3HD1 LEU 84 -1.224 6.823 2.198 717 HD21 LEU 84 3HD2 LEU 84 1.567 6.405 -0.358 718 HD22 LEU 84 1HD2 LEU 84 0.320 7.543 0.161 719 HD23 LEU 84 2HD2 LEU 84 -0.132 6.022 -0.619 720 H GLU 85 H GLU 85 4.398 5.658 3.974 721 HA GLU 85 HA GLU 85 5.023 8.089 5.308 722 HB2 GLU 85 2HB GLU 85 6.248 5.301 5.441 723 HB3 GLU 85 1HB GLU 85 6.831 6.628 6.448 724 HG2 GLU 85 2HG GLU 85 3.987 5.553 6.471 725 HG3 GLU 85 1HG GLU 85 5.258 5.079 7.604 726 H HIS 86 H HIS 86 6.768 6.044 2.992 727 HA HIS 86 HA HIS 86 9.125 7.681 2.867 728 HB2 HIS 86 2HB HIS 86 9.199 5.265 2.355 729 HB3 HIS 86 1HB HIS 86 8.129 5.507 0.981 730 HD1 HIS 86 HD1 HIS 86 11.501 6.957 2.077 731 HD2 HIS 86 HD2 HIS 86 9.553 5.563 -1.323 732 HE1 HIS 86 HE1 HIS 86 13.178 7.156 0.215 733 HE2 HIS 86 HE2 HIS 86 11.932 6.425 -1.853 734 H ALA 87 H ALA 87 6.016 7.716 1.260 735 HA ALA 87 HA ALA 87 6.725 9.480 -0.888 736 HB1 ALA 87 3HB ALA 87 4.292 9.770 -1.179 737 HB2 ALA 87 1HB ALA 87 4.001 8.946 0.356 738 HB3 ALA 87 2HB ALA 87 4.711 8.064 -1.000 739 H ILE 88 H ILE 88 5.566 9.950 2.459 740 HA ILE 88 HA ILE 88 5.376 12.805 2.401 741 HB ILE 88 HB ILE 88 5.965 10.956 4.765 742 HG12 ILE 88 2HG1 ILE 88 3.293 12.180 3.940 743 HG13 ILE 88 1HG1 ILE 88 3.780 10.536 3.554 744 HG21 ILE 88 1HG2 ILE 88 5.191 12.811 6.224 745 HG22 ILE 88 2HG2 ILE 88 5.070 13.864 4.812 746 HG23 ILE 88 3HG2 ILE 88 6.643 13.243 5.317 747 HD11 ILE 88 3HD1 ILE 88 3.407 11.637 6.335 748 HD12 ILE 88 1HD1 ILE 88 3.846 9.977 5.923 749 HD13 ILE 88 2HD1 ILE 88 2.272 10.619 5.456 750 H ASP 89 H ASP 89 7.957 10.528 3.138 751 HA ASP 89 HA ASP 89 10.044 12.268 3.847 752 HB2 ASP 89 2HB ASP 89 10.178 9.884 4.296 753 HB3 ASP 89 1HB ASP 89 10.024 9.496 2.583 754 H LEU 90 H LEU 90 8.998 11.077 0.648 755 HA LEU 90 HA LEU 90 11.010 12.593 -0.819 756 HB2 LEU 90 2HB LEU 90 8.607 11.001 -1.813 757 HB3 LEU 90 1HB LEU 90 9.816 11.734 -2.856 758 HG LEU 90 HG LEU 90 10.246 9.413 -0.935 759 HD11 LEU 90 1HD1 LEU 90 10.659 8.076 -2.939 760 HD12 LEU 90 2HD1 LEU 90 10.319 9.470 -3.969 761 HD13 LEU 90 3HD1 LEU 90 9.044 8.779 -2.961 762 HD21 LEU 90 3HD2 LEU 90 12.547 9.273 -1.794 763 HD22 LEU 90 1HD2 LEU 90 12.254 10.782 -0.937 764 HD23 LEU 90 2HD2 LEU 90 12.308 10.772 -2.700 765 H GLU 91 H GLU 91 8.150 13.421 0.682 766 HA GLU 91 HA GLU 91 6.909 15.291 0.820 767 HB2 GLU 91 2HB GLU 91 8.796 16.463 -1.263 768 HB3 GLU 91 1HB GLU 91 7.606 17.388 -0.348 769 HG2 GLU 91 2HG GLU 91 8.789 16.766 1.759 770 HG3 GLU 91 1HG GLU 91 10.011 15.926 0.801 771 H LEU 92 H LEU 92 6.543 13.177 -1.372 772 HA LEU 92 HA LEU 92 5.143 14.324 -3.567 773 HB2 LEU 92 2HB LEU 92 4.852 11.522 -2.409 774 HB3 LEU 92 1HB LEU 92 4.398 12.032 -4.032 775 HG LEU 92 HG LEU 92 7.233 11.892 -2.938 776 HD11 LEU 92 1HD1 LEU 92 5.865 10.133 -4.990 777 HD12 LEU 92 2HD1 LEU 92 6.280 9.681 -3.335 778 HD13 LEU 92 3HD1 LEU 92 7.559 10.039 -4.492 779 HD21 LEU 92 3HD2 LEU 92 6.301 12.653 -5.726 780 HD22 LEU 92 1HD2 LEU 92 7.978 12.425 -5.220 781 HD23 LEU 92 2HD2 LEU 92 7.024 13.734 -4.534 782 H ILE 93 H ILE 93 4.089 12.883 -0.504 783 HA ILE 93 HA ILE 93 1.499 14.332 -0.698 784 HB ILE 93 HB ILE 93 0.365 12.593 0.605 785 HG12 ILE 93 2HG1 ILE 93 2.918 10.929 0.422 786 HG13 ILE 93 1HG1 ILE 93 2.340 11.732 1.875 787 HG21 ILE 93 1HG2 ILE 93 0.244 12.412 -1.833 788 HG22 ILE 93 2HG2 ILE 93 0.201 10.810 -1.095 789 HG23 ILE 93 3HG2 ILE 93 1.686 11.394 -1.851 790 HD11 ILE 93 3HD1 ILE 93 0.370 10.307 1.900 791 HD12 ILE 93 1HD1 ILE 93 1.852 9.352 1.900 792 HD13 ILE 93 2HD1 ILE 93 0.909 9.513 0.418 793 H THR 94 H THR 94 0.715 15.101 1.352 794 HA THR 94 HA THR 94 2.834 16.016 3.116 795 HB THR 94 HB THR 94 1.000 17.380 4.167 796 HG1 THR 94 HG1 THR 94 -0.876 16.334 3.915 797 HG21 THR 94 3HG2 THR 94 0.575 18.855 2.232 798 HG22 THR 94 1HG2 THR 94 1.080 17.573 1.129 799 HG23 THR 94 2HG2 THR 94 2.251 18.299 2.232 800 H LYS 95 H LYS 95 0.031 13.854 3.254 801 HA LYS 95 HA LYS 95 0.784 12.933 5.950 802 HB2 LYS 95 2HB LYS 95 -0.979 14.719 6.135 803 HB3 LYS 95 1HB LYS 95 -2.048 13.736 5.141 804 HG2 LYS 95 2HG LYS 95 -2.001 11.960 6.890 805 HG3 LYS 95 1HG LYS 95 -0.979 13.004 7.891 806 HD2 LYS 95 2HD LYS 95 -2.798 14.714 7.920 807 HD3 LYS 95 1HD LYS 95 -3.819 13.631 6.966 808 HE2 LYS 95 2HE LYS 95 -3.720 11.968 8.809 809 HE3 LYS 95 1HE LYS 95 -2.751 13.096 9.759 810 HZ1 LYS 95 3HZ LYS 95 -4.589 14.634 9.757 811 HZ2 LYS 95 1HZ LYS 95 -5.092 13.140 10.366 812 HZ3 LYS 95 2HZ LYS 95 -5.512 13.599 8.791 813 H ASN 96 H ASN 96 0.273 10.813 6.366 814 HA ASN 96 HA ASN 96 -0.062 9.045 4.108 815 HB2 ASN 96 2HB ASN 96 1.557 8.659 5.995 816 HB3 ASN 96 1HB ASN 96 0.199 8.438 7.085 817 HD21 ASN 96 1HD2 ASN 96 2.434 6.692 6.224 818 HD22 ASN 96 2HD2 ASN 96 1.687 5.223 5.714 819 H VAL 97 H VAL 97 -2.003 8.470 3.378 820 HA VAL 97 HA VAL 97 -4.429 9.037 4.875 821 HB VAL 97 HB VAL 97 -5.622 8.709 2.775 822 HG11 VAL 97 1HG1 VAL 97 -3.028 10.242 2.277 823 HG12 VAL 97 2HG1 VAL 97 -4.478 10.885 3.052 824 HG13 VAL 97 3HG1 VAL 97 -4.522 10.419 1.353 825 HG21 VAL 97 3HG2 VAL 97 -4.509 7.967 0.686 826 HG22 VAL 97 1HG2 VAL 97 -4.452 6.709 1.925 827 HG23 VAL 97 2HG2 VAL 97 -3.015 7.673 1.582 828 H ALA 98 H ALA 98 -2.465 6.291 4.382 829 HA ALA 98 HA ALA 98 -4.571 4.291 4.848 830 HB1 ALA 98 3HB ALA 98 -2.723 3.725 3.311 831 HB2 ALA 98 1HB ALA 98 -2.741 2.640 4.703 832 HB3 ALA 98 2HB ALA 98 -1.558 3.947 4.615 833 H ALA 99 H ALA 99 -2.287 6.234 6.574 834 HA ALA 99 HA ALA 99 -2.119 4.790 9.027 835 HB1 ALA 99 3HB ALA 99 -0.513 6.565 8.432 836 HB2 ALA 99 1HB ALA 99 -1.284 6.907 9.983 837 HB3 ALA 99 2HB ALA 99 -1.797 7.769 8.527 838 H LYS 100 H LYS 100 -4.583 6.677 7.552 839 HA LYS 100 HA LYS 100 -6.107 7.374 9.909 840 HB2 LYS 100 2HB LYS 100 -6.986 7.233 6.981 841 HB3 LYS 100 1HB LYS 100 -7.809 8.099 8.278 842 HG2 LYS 100 2HG LYS 100 -5.050 8.758 7.192 843 HG3 LYS 100 1HG LYS 100 -6.538 9.602 6.762 844 HD2 LYS 100 2HD LYS 100 -5.510 9.444 9.620 845 HD3 LYS 100 1HD LYS 100 -5.014 10.713 8.507 846 HE2 LYS 100 2HE LYS 100 -6.787 11.546 9.918 847 HE3 LYS 100 1HE LYS 100 -7.400 11.402 8.276 848 HZ1 LYS 100 3HZ LYS 100 -7.876 9.420 10.428 849 HZ2 LYS 100 1HZ LYS 100 -8.566 9.424 8.888 850 HZ3 LYS 100 2HZ LYS 100 -8.955 10.642 9.990 851 H THR 101 H THR 101 -5.766 4.604 7.877 852 HA THR 101 HA THR 101 -8.299 3.366 8.759 853 HB THR 101 HB THR 101 -6.493 2.707 6.390 854 HG1 THR 101 HG1 THR 101 -9.138 3.760 6.379 855 HG21 THR 101 3HG2 THR 101 -7.646 0.663 7.200 856 HG22 THR 101 1HG2 THR 101 -8.322 1.199 5.658 857 HG23 THR 101 2HG2 THR 101 -9.193 1.516 7.159 858 H LYS 102 H LYS 102 -7.859 2.406 10.624 859 HA LYS 102 HA LYS 102 -5.389 1.043 11.274 860 HB2 LYS 102 2HB LYS 102 -8.046 1.182 12.788 861 HB3 LYS 102 1HB LYS 102 -6.498 0.654 13.451 862 HG2 LYS 102 2HG LYS 102 -5.578 2.906 13.219 863 HG3 LYS 102 1HG LYS 102 -7.052 3.458 12.410 864 HD2 LYS 102 2HD LYS 102 -8.347 3.031 14.484 865 HD3 LYS 102 1HD LYS 102 -6.878 2.467 15.286 866 HE2 LYS 102 2HE LYS 102 -7.301 5.279 14.212 867 HE3 LYS 102 1HE LYS 102 -7.454 4.797 15.901 868 HZ1 LYS 102 3HZ LYS 102 -4.986 4.670 14.267 869 HZ2 LYS 102 1HZ LYS 102 -5.118 4.140 15.865 870 HZ3 LYS 102 2HZ LYS 102 -5.317 5.779 15.497 871 H LEU 103 H LEU 103 -5.384 -1.239 12.009 872 HA LEU 103 HA LEU 103 -6.682 -3.100 10.286 873 HB2 LEU 103 2HB LEU 103 -4.496 -3.611 11.317 874 HB3 LEU 103 1HB LEU 103 -5.213 -3.528 12.919 875 HG LEU 103 HG LEU 103 -6.652 -5.532 12.304 876 HD11 LEU 103 1HD1 LEU 103 -6.577 -5.369 9.888 877 HD12 LEU 103 2HD1 LEU 103 -6.012 -6.947 10.426 878 HD13 LEU 103 3HD1 LEU 103 -4.848 -5.734 9.884 879 HD21 LEU 103 3HD2 LEU 103 -4.677 -5.825 13.705 880 HD22 LEU 103 1HD2 LEU 103 -3.654 -6.012 12.278 881 HD23 LEU 103 2HD2 LEU 103 -4.897 -7.212 12.645 882 HA PRO 104 HA PRO 104 -10.468 -3.359 12.916 883 HB2 PRO 104 2HB PRO 104 -12.029 -4.751 11.196 884 HB3 PRO 104 1HB PRO 104 -11.667 -3.041 10.912 885 HG2 PRO 104 2HG PRO 104 -10.366 -5.478 9.690 886 HG3 PRO 104 1HG PRO 104 -10.939 -4.002 8.886 887 HD2 PRO 104 2HD PRO 104 -8.306 -4.409 9.554 888 HD3 PRO 104 1HD PRO 104 -9.037 -2.789 9.475 889 H LYS 105 H LYS 105 -11.878 -5.393 13.523 890 HA LYS 105 HA LYS 105 -10.070 -7.517 14.376 891 HB2 LYS 105 2HB LYS 105 -13.053 -7.124 14.921 892 HB3 LYS 105 1HB LYS 105 -12.094 -8.448 15.566 893 HG2 LYS 105 2HG LYS 105 -12.244 -6.914 17.344 894 HG3 LYS 105 1HG LYS 105 -10.627 -6.663 16.688 895 HD2 LYS 105 2HD LYS 105 -11.647 -4.504 17.191 896 HD3 LYS 105 1HD LYS 105 -11.474 -4.671 15.442 897 HE2 LYS 105 2HE LYS 105 -13.883 -5.314 15.300 898 HE3 LYS 105 1HE LYS 105 -14.032 -5.059 17.043 899 HZ1 LYS 105 3HZ LYS 105 -13.483 -2.752 16.738 900 HZ2 LYS 105 1HZ LYS 105 -14.775 -3.159 15.734 901 HZ3 LYS 105 2HZ LYS 105 -13.230 -2.984 15.085 902 H ALA 106 H ALA 106 -9.521 -8.722 12.642 903 HA ALA 106 HA ALA 106 -11.497 -9.692 10.712 904 HB1 ALA 106 3HB ALA 106 -9.296 -8.927 9.912 905 HB2 ALA 106 1HB ALA 106 -9.555 -10.629 9.524 906 HB3 ALA 106 2HB ALA 106 -8.497 -10.179 10.865 907 H ASP 107 H ASP 107 -11.792 -10.559 13.441 908 HA ASP 107 HA ASP 107 -11.519 -13.490 13.199 909 HB2 ASP 107 2HB ASP 107 -9.970 -12.607 14.933 910 HB3 ASP 107 1HB ASP 107 -11.301 -11.781 15.733 911 H LYS 108 H LYS 108 -13.428 -14.574 13.447 912 HA LYS 108 HA LYS 108 -15.900 -13.073 13.614 913 HB2 LYS 108 2HB LYS 108 -15.411 -16.072 13.341 914 HB3 LYS 108 1HB LYS 108 -16.981 -15.283 13.184 915 HG2 LYS 108 2HG LYS 108 -16.183 -14.078 11.188 916 HG3 LYS 108 1HG LYS 108 -14.592 -14.823 11.365 917 HD2 LYS 108 2HD LYS 108 -15.598 -17.058 11.009 918 HD3 LYS 108 1HD LYS 108 -17.192 -16.319 10.825 919 HE2 LYS 108 2HE LYS 108 -16.175 -16.867 8.638 920 HE3 LYS 108 1HE LYS 108 -16.421 -15.129 8.814 921 HZ1 LYS 108 3HZ LYS 108 -14.090 -14.867 9.328 922 HZ2 LYS 108 1HZ LYS 108 -14.255 -15.671 7.857 923 HZ3 LYS 108 2HZ LYS 108 -13.837 -16.536 9.249 924 H GLU 109 H GLU 109 -17.435 -13.183 15.197 925 HA GLU 109 HA GLU 109 -17.046 -14.866 17.588 926 HB2 GLU 109 2HB GLU 109 -17.734 -11.893 17.582 927 HB3 GLU 109 1HB GLU 109 -17.981 -12.946 18.972 928 HG2 GLU 109 2HG GLU 109 -15.556 -13.397 19.060 929 HG3 GLU 109 1HG GLU 109 -15.300 -12.296 17.702 930 H GLU 110 H GLU 110 -18.979 -15.516 18.570 931 HA GLU 110 HA GLU 110 -21.346 -15.573 16.864 932 HB2 GLU 110 2HB GLU 110 -20.766 -16.919 19.537 933 HB3 GLU 110 1HB GLU 110 -22.204 -17.199 18.555 934 HG2 GLU 110 2HG GLU 110 -20.739 -18.057 16.720 935 HG3 GLU 110 1HG GLU 110 -19.340 -17.862 17.782 936 H LEU 111 H LEU 111 -20.264 -13.312 18.925 937 HA LEU 111 HA LEU 111 -22.692 -12.769 20.460 938 HB2 LEU 111 2HB LEU 111 -20.068 -11.222 20.292 939 HB3 LEU 111 1HB LEU 111 -21.374 -10.912 21.431 940 HG LEU 111 HG LEU 111 -19.619 -13.398 21.345 941 HD11 LEU 111 1HD1 LEU 111 -18.749 -12.601 23.497 942 HD12 LEU 111 2HD1 LEU 111 -19.732 -11.141 23.363 943 HD13 LEU 111 3HD1 LEU 111 -18.444 -11.453 22.196 944 HD21 LEU 111 3HD2 LEU 111 -21.892 -12.750 23.264 945 HD22 LEU 111 1HD2 LEU 111 -20.773 -14.110 23.411 946 HD23 LEU 111 2HD2 LEU 111 -21.880 -14.027 22.044 947 H GLU 112 H GLU 112 -23.301 -12.721 17.820 948 HA GLU 112 HA GLU 112 -24.303 -10.044 17.437 949 HB2 GLU 112 2HB GLU 112 -23.424 -9.814 15.098 950 HB3 GLU 112 1HB GLU 112 -22.168 -9.757 16.328 951 HG2 GLU 112 2HG GLU 112 -21.521 -12.065 15.828 952 HG3 GLU 112 1HG GLU 112 -22.814 -12.190 14.633 953 H HIS 113 H HIS 113 -25.403 -12.651 18.005 954 HA HIS 113 HA HIS 113 -26.942 -13.448 15.680 955 HB2 HIS 113 2HB HIS 113 -26.494 -15.033 17.564 956 HB3 HIS 113 1HB HIS 113 -27.431 -14.008 18.648 957 HD1 HIS 113 HD1 HIS 113 -27.808 -16.399 15.778 958 HD2 HIS 113 HD2 HIS 113 -30.218 -14.308 18.433 959 HE1 HIS 113 HE1 HIS 113 -30.104 -17.370 15.504 960 HE2 HIS 113 HE2 HIS 113 -31.523 -16.167 17.201 961 H HIS 114 H HIS 114 -28.864 -12.614 15.034 962 HA HIS 114 HA HIS 114 -30.675 -11.298 14.788 963 HB2 HIS 114 2HB HIS 114 -31.376 -12.112 17.054 964 HB3 HIS 114 1HB HIS 114 -30.498 -10.786 17.798 965 HD1 HIS 114 HD1 HIS 114 -33.528 -11.411 15.591 966 HD2 HIS 114 HD2 HIS 114 -31.975 -8.466 18.084 967 HE1 HIS 114 HE1 HIS 114 -35.319 -9.655 15.774 968 HE2 HIS 114 HE2 HIS 114 -34.436 -8.005 17.452 969 H HIS 115 H HIS 115 -27.722 -10.282 15.014 970 HA HIS 115 HA HIS 115 -27.983 -7.449 15.571 971 HB2 HIS 115 2HB HIS 115 -25.870 -8.708 16.019 972 HB3 HIS 115 1HB HIS 115 -25.674 -8.985 14.296 973 HD1 HIS 115 HD1 HIS 115 -24.662 -7.101 12.907 974 HD2 HIS 115 HD2 HIS 115 -25.454 -6.012 16.837 975 HE1 HIS 115 HE1 HIS 115 -23.594 -4.843 13.214 976 HE2 HIS 115 HE2 HIS 115 -23.887 -4.342 15.663 977 H HIS 116 H HIS 116 -28.771 -6.032 14.147 978 HA HIS 116 HA HIS 116 -28.782 -6.637 11.243 979 HB2 HIS 116 2HB HIS 116 -30.728 -5.007 12.940 980 HB3 HIS 116 1HB HIS 116 -30.748 -5.016 11.178 981 HD1 HIS 116 HD1 HIS 116 -31.499 -7.187 14.148 982 HD2 HIS 116 HD2 HIS 116 -31.897 -7.270 10.014 983 HE1 HIS 116 HE1 HIS 116 -33.014 -9.128 13.664 984 HE2 HIS 116 HE2 HIS 116 -33.118 -9.247 11.148 985 H HIS 117 H HIS 117 -27.546 -5.337 10.019 986 HA HIS 117 HA HIS 117 -26.074 -3.108 11.063 987 HB2 HIS 117 2HB HIS 117 -25.260 -4.655 9.243 988 HB3 HIS 117 1HB HIS 117 -26.450 -3.966 8.146 989 HD1 HIS 117 HD1 HIS 117 -25.699 -1.975 6.836 990 HD2 HIS 117 HD2 HIS 117 -23.258 -2.696 10.111 991 HE1 HIS 117 HE1 HIS 117 -23.793 -0.355 6.619 992 HE2 HIS 117 HE2 HIS 117 -22.441 -0.685 8.722 993 H HIS 118 H HIS 118 -28.639 -3.382 8.580 994 HA HIS 118 HA HIS 118 -30.346 -1.556 9.898 995 HB2 HIS 118 2HB HIS 118 -28.907 0.189 8.840 996 HB3 HIS 118 1HB HIS 118 -29.213 -0.504 7.250 997 HD1 HIS 118 HD1 HIS 118 -31.516 -0.056 6.190 998 HD2 HIS 118 HD2 HIS 118 -31.057 1.627 9.959 999 HE1 HIS 118 HE1 HIS 118 -33.490 1.469 6.485 1000 HE2 HIS 118 HE2 HIS 118 -33.146 2.549 8.740 Start of MODEL 19 1 H1 MET 1 1H MET 1 0.592 21.347 -2.971 2 H2 MET 1 2H MET 1 0.329 20.212 -4.192 3 H3 MET 1 3H MET 1 1.219 21.598 -4.520 4 HA MET 1 HA MET 1 2.975 20.915 -3.097 5 HB2 MET 1 2HB MET 1 1.368 19.694 -1.501 6 HB3 MET 1 1HB MET 1 1.407 18.333 -2.615 7 HG2 MET 1 2HG MET 1 2.936 17.997 -0.743 8 HG3 MET 1 1HG MET 1 3.841 18.139 -2.259 9 HE1 MET 1 3HE MET 1 4.963 18.597 0.868 10 HE2 MET 1 1HE MET 1 6.109 19.894 0.517 11 HE3 MET 1 2HE MET 1 5.976 18.516 -0.577 12 H GLU 2 H GLU 2 3.922 21.052 -5.109 13 HA GLU 2 HA GLU 2 4.984 20.539 -6.997 14 HB2 GLU 2 2HB GLU 2 6.162 18.503 -7.176 15 HB3 GLU 2 1HB GLU 2 5.956 18.740 -5.450 16 HG2 GLU 2 2HG GLU 2 4.222 17.055 -5.359 17 HG3 GLU 2 1HG GLU 2 4.198 16.907 -7.116 18 HA PRO 3 HA PRO 3 2.144 19.095 -10.272 19 HB2 PRO 3 2HB PRO 3 4.514 18.202 -11.871 20 HB3 PRO 3 1HB PRO 3 3.272 19.397 -12.266 21 HG2 PRO 3 2HG PRO 3 5.778 20.159 -11.645 22 HG3 PRO 3 1HG PRO 3 4.369 21.124 -11.148 23 HD2 PRO 3 2HD PRO 3 6.006 19.179 -9.510 24 HD3 PRO 3 1HD PRO 3 5.412 20.799 -9.068 25 H SER 4 H SER 4 1.283 17.337 -9.083 26 HA SER 4 HA SER 4 2.647 14.865 -8.667 27 HB2 SER 4 2HB SER 4 0.401 14.050 -7.875 28 HB3 SER 4 1HB SER 4 0.903 15.554 -7.105 29 HG SER 4 HG SER 4 -0.594 15.846 -9.420 30 H LYS 5 H LYS 5 3.354 14.092 -10.633 31 HA LYS 5 HA LYS 5 1.426 13.347 -12.746 32 HB2 LYS 5 2HB LYS 5 4.480 13.196 -12.624 33 HB3 LYS 5 1HB LYS 5 3.515 12.714 -14.018 34 HG2 LYS 5 2HG LYS 5 3.631 15.523 -12.868 35 HG3 LYS 5 1HG LYS 5 4.566 14.962 -14.256 36 HD2 LYS 5 2HD LYS 5 1.524 15.062 -14.103 37 HD3 LYS 5 1HD LYS 5 2.543 16.247 -14.924 38 HE2 LYS 5 2HE LYS 5 2.345 13.300 -15.656 39 HE3 LYS 5 1HE LYS 5 1.529 14.620 -16.493 40 HZ1 LYS 5 3HZ LYS 5 4.476 14.353 -16.239 41 HZ2 LYS 5 1HZ LYS 5 3.647 15.530 -17.125 42 HZ3 LYS 5 2HZ LYS 5 3.581 13.909 -17.599 43 H LEU 6 H LEU 6 3.478 12.086 -10.240 44 HA LEU 6 HA LEU 6 3.743 9.401 -11.113 45 HB2 LEU 6 2HB LEU 6 5.352 10.578 -9.636 46 HB3 LEU 6 1HB LEU 6 4.141 10.649 -8.365 47 HG LEU 6 HG LEU 6 4.197 8.166 -8.176 48 HD11 LEU 6 1HD1 LEU 6 4.806 7.558 -10.458 49 HD12 LEU 6 2HD1 LEU 6 5.945 6.857 -9.311 50 HD13 LEU 6 3HD1 LEU 6 6.407 8.279 -10.253 51 HD21 LEU 6 3HD2 LEU 6 5.641 9.521 -6.730 52 HD22 LEU 6 1HD2 LEU 6 6.929 9.472 -7.937 53 HD23 LEU 6 2HD2 LEU 6 6.416 7.990 -7.127 54 H SER 7 H SER 7 2.190 7.952 -11.163 55 HA SER 7 HA SER 7 -0.201 7.940 -9.563 56 HB2 SER 7 2HB SER 7 0.958 5.677 -11.254 57 HB3 SER 7 1HB SER 7 -0.720 5.871 -10.744 58 HG SER 7 HG SER 7 0.741 7.401 -12.617 59 H TYR 8 H TYR 8 -0.727 6.120 -8.052 60 HA TYR 8 HA TYR 8 1.338 5.739 -6.144 61 HB2 TYR 8 2HB TYR 8 -1.066 5.858 -5.543 62 HB3 TYR 8 1HB TYR 8 -1.332 4.294 -6.308 63 HD1 TYR 8 HD1 TYR 8 1.298 5.605 -3.942 64 HD2 TYR 8 HD2 TYR 8 -1.688 2.637 -4.637 65 HE1 TYR 8 HE1 TYR 8 1.877 4.531 -1.821 66 HE2 TYR 8 HE2 TYR 8 -1.114 1.576 -2.496 67 HH TYR 8 HH TYR 8 0.789 3.055 -0.145 68 H GLY 9 H GLY 9 0.003 3.613 -8.660 69 HA2 GLY 9 2HA GLY 9 1.345 1.213 -7.875 70 HA3 GLY 9 1HA GLY 9 0.672 1.554 -9.466 71 H GLU 10 H GLU 10 2.127 3.792 -10.190 72 HA GLU 10 HA GLU 10 4.624 2.820 -11.110 73 HB2 GLU 10 2HB GLU 10 3.640 5.700 -10.845 74 HB3 GLU 10 1HB GLU 10 5.034 5.191 -11.798 75 HG2 GLU 10 2HG GLU 10 2.158 4.357 -12.308 76 HG3 GLU 10 1HG GLU 10 3.016 5.626 -13.177 77 H TYR 11 H TYR 11 3.634 4.733 -8.336 78 HA TYR 11 HA TYR 11 6.219 5.387 -7.357 79 HB2 TYR 11 2HB TYR 11 4.366 6.757 -6.629 80 HB3 TYR 11 1HB TYR 11 3.474 5.358 -6.037 81 HD1 TYR 11 HD1 TYR 11 6.895 6.849 -5.531 82 HD2 TYR 11 HD2 TYR 11 3.411 5.172 -3.705 83 HE1 TYR 11 HE1 TYR 11 7.940 7.065 -3.337 84 HE2 TYR 11 HE2 TYR 11 4.467 5.397 -1.505 85 HH TYR 11 HH TYR 11 6.679 5.528 -0.587 86 H LEU 12 H LEU 12 4.003 2.654 -6.827 87 HA LEU 12 HA LEU 12 5.327 1.467 -4.622 88 HB2 LEU 12 2HB LEU 12 3.535 0.262 -6.757 89 HB3 LEU 12 1HB LEU 12 4.150 -0.664 -5.394 90 HG LEU 12 HG LEU 12 2.387 1.799 -5.132 91 HD11 LEU 12 1HD1 LEU 12 1.613 -1.110 -4.867 92 HD12 LEU 12 2HD1 LEU 12 1.162 -0.019 -6.181 93 HD13 LEU 12 3HD1 LEU 12 0.581 0.289 -4.550 94 HD21 LEU 12 3HD2 LEU 12 2.151 1.090 -2.768 95 HD22 LEU 12 1HD2 LEU 12 3.808 1.524 -3.184 96 HD23 LEU 12 2HD2 LEU 12 3.353 -0.176 -3.042 97 H GLU 13 H GLU 13 5.822 1.315 -8.079 98 HA GLU 13 HA GLU 13 7.746 -0.769 -8.190 99 HB2 GLU 13 2HB GLU 13 7.269 1.639 -9.999 100 HB3 GLU 13 1HB GLU 13 8.355 0.310 -10.398 101 HG2 GLU 13 2HG GLU 13 5.378 0.024 -9.896 102 HG3 GLU 13 1HG GLU 13 6.118 0.125 -11.487 103 H SER 14 H SER 14 8.086 2.781 -8.037 104 HA SER 14 HA SER 14 10.915 2.923 -8.056 105 HB2 SER 14 2HB SER 14 9.457 4.832 -8.640 106 HB3 SER 14 1HB SER 14 8.855 4.907 -6.984 107 HG SER 14 HG SER 14 11.541 5.331 -7.810 108 H TRP 15 H TRP 15 8.580 3.045 -5.425 109 HA TRP 15 HA TRP 15 10.264 3.287 -3.212 110 HB2 TRP 15 2HB TRP 15 7.917 3.787 -2.948 111 HB3 TRP 15 1HB TRP 15 7.434 2.205 -3.541 112 HD1 TRP 15 HD1 TRP 15 9.351 3.645 -0.458 113 HE1 TRP 15 HE1 TRP 15 8.725 2.232 1.589 114 HE3 TRP 15 HE3 TRP 15 6.384 0.158 -2.740 115 HZ2 TRP 15 HZ2 TRP 15 7.214 -0.045 2.174 116 HZ3 TRP 15 HZ3 TRP 15 5.398 -1.624 -1.349 117 HH2 TRP 15 HH2 TRP 15 5.813 -1.714 1.067 118 H PHE 16 H PHE 16 8.876 0.418 -4.833 119 HA PHE 16 HA PHE 16 9.792 -1.568 -3.080 120 HB2 PHE 16 2HB PHE 16 8.101 -2.061 -4.795 121 HB3 PHE 16 1HB PHE 16 9.273 -1.775 -6.080 122 HD1 PHE 16 HD2 PHE 16 8.784 -3.902 -3.032 123 HD2 PHE 16 HD1 PHE 16 10.411 -3.637 -6.978 124 HE1 PHE 16 HE2 PHE 16 9.481 -6.230 -2.921 125 HE2 PHE 16 HE1 PHE 16 11.108 -5.989 -6.849 126 HZ PHE 16 HZ PHE 16 10.634 -7.289 -4.816 127 H ASN 17 H ASN 17 11.370 -0.122 -5.916 128 HA ASN 17 HA ASN 17 13.537 -1.869 -6.239 129 HB2 ASN 17 2HB ASN 17 13.328 1.106 -6.858 130 HB3 ASN 17 1HB ASN 17 14.677 0.099 -7.385 131 HD21 ASN 17 1HD2 ASN 17 12.715 1.580 -8.957 132 HD22 ASN 17 2HD2 ASN 17 11.969 0.424 -9.997 133 H THR 18 H THR 18 13.256 1.041 -4.223 134 HA THR 18 HA THR 18 15.927 0.678 -3.115 135 HB THR 18 HB THR 18 15.085 2.978 -3.560 136 HG1 THR 18 HG1 THR 18 15.783 2.229 -0.917 137 HG21 THR 18 3HG2 THR 18 12.700 2.701 -2.987 138 HG22 THR 18 1HG2 THR 18 13.417 4.023 -2.064 139 HG23 THR 18 2HG2 THR 18 13.127 2.464 -1.290 140 H LYS 19 H LYS 19 12.692 -0.394 -2.375 141 HA LYS 19 HA LYS 19 12.962 -0.642 0.472 142 HB2 LYS 19 2HB LYS 19 10.752 -0.439 -0.798 143 HB3 LYS 19 1HB LYS 19 10.976 -2.096 -1.336 144 HG2 LYS 19 2HG LYS 19 9.439 -2.028 0.546 145 HG3 LYS 19 1HG LYS 19 10.927 -2.858 1.028 146 HD2 LYS 19 2HD LYS 19 11.729 -0.706 2.056 147 HD3 LYS 19 1HD LYS 19 10.172 0.031 1.665 148 HE2 LYS 19 2HE LYS 19 9.043 -1.567 3.152 149 HE3 LYS 19 1HE LYS 19 10.586 -2.359 3.497 150 HZ1 LYS 19 3HZ LYS 19 11.379 -0.294 4.465 151 HZ2 LYS 19 1HZ LYS 19 9.970 -0.825 5.233 152 HZ3 LYS 19 2HZ LYS 19 9.898 0.451 4.127 153 H ARG 20 H ARG 20 13.628 -2.681 -2.312 154 HA ARG 20 HA ARG 20 14.145 -5.154 -1.147 155 HB2 ARG 20 2HB ARG 20 15.672 -3.795 -3.399 156 HB3 ARG 20 1HB ARG 20 15.730 -5.521 -3.037 157 HG2 ARG 20 2HG ARG 20 13.374 -5.765 -3.631 158 HG3 ARG 20 1HG ARG 20 13.219 -4.025 -3.877 159 HD2 ARG 20 2HD ARG 20 14.922 -5.940 -5.512 160 HD3 ARG 20 1HD ARG 20 13.422 -5.160 -6.027 161 HE ARG 20 HE ARG 20 15.376 -3.234 -5.247 162 HH11 ARG 20 1HH1 ARG 20 14.545 -5.296 -7.932 163 HH12 ARG 20 2HH1 ARG 20 15.380 -4.323 -9.094 164 HH21 ARG 20 1HH2 ARG 20 16.432 -1.951 -6.736 165 HH22 ARG 20 2HH2 ARG 20 16.473 -2.413 -8.407 166 H HIS 21 H HIS 21 16.023 -2.186 -0.947 167 HA HIS 21 HA HIS 21 18.384 -3.411 0.225 168 HB2 HIS 21 2HB HIS 21 17.563 -0.489 -0.083 169 HB3 HIS 21 1HB HIS 21 19.110 -1.017 0.577 170 HD1 HIS 21 HD1 HIS 21 20.942 -1.543 -1.062 171 HD2 HIS 21 HD2 HIS 21 17.230 -1.173 -2.895 172 HE1 HIS 21 HE1 HIS 21 21.406 -1.556 -3.527 173 HE2 HIS 21 HE2 HIS 21 19.161 -1.191 -4.616 174 H SER 22 H SER 22 15.378 -2.110 1.381 175 HA SER 22 HA SER 22 16.197 -1.663 4.126 176 HB2 SER 22 2HB SER 22 14.384 -0.320 3.091 177 HB3 SER 22 1HB SER 22 13.423 -1.780 2.847 178 HG SER 22 HG SER 22 14.332 -0.907 5.388 179 H VAL 23 H VAL 23 14.618 -4.187 2.247 180 HA VAL 23 HA VAL 23 14.582 -6.029 4.581 181 HB VAL 23 HB VAL 23 12.731 -7.261 3.473 182 HG11 VAL 23 1HG1 VAL 23 12.102 -5.519 5.092 183 HG12 VAL 23 2HG1 VAL 23 10.892 -5.628 3.812 184 HG13 VAL 23 3HG1 VAL 23 12.065 -4.307 3.806 185 HG21 VAL 23 3HG2 VAL 23 11.555 -6.374 1.483 186 HG22 VAL 23 1HG2 VAL 23 13.241 -6.750 1.109 187 HG23 VAL 23 2HG2 VAL 23 12.743 -5.076 1.352 188 H GLY 24 H GLY 24 14.539 -8.458 3.568 189 HA2 GLY 24 2HA GLY 24 16.897 -8.843 1.933 190 HA3 GLY 24 1HA GLY 24 15.800 -10.094 2.506 191 H ILE 25 H ILE 25 16.894 -10.023 -0.129 192 HA ILE 25 HA ILE 25 15.137 -8.958 -2.095 193 HB ILE 25 HB ILE 25 17.142 -11.258 -2.236 194 HG12 ILE 25 2HG1 ILE 25 18.153 -9.024 -1.875 195 HG13 ILE 25 1HG1 ILE 25 18.580 -9.643 -3.465 196 HG21 ILE 25 1HG2 ILE 25 16.986 -11.182 -4.721 197 HG22 ILE 25 2HG2 ILE 25 15.628 -10.065 -4.593 198 HG23 ILE 25 3HG2 ILE 25 15.476 -11.709 -3.976 199 HD11 ILE 25 3HD1 ILE 25 16.484 -7.560 -2.870 200 HD12 ILE 25 1HD1 ILE 25 16.891 -8.180 -4.472 201 HD13 ILE 25 2HD1 ILE 25 18.089 -7.279 -3.541 202 H GLN 26 H GLN 26 15.279 -12.106 -0.477 203 HA GLN 26 HA GLN 26 13.152 -13.412 -1.794 204 HB2 GLN 26 2HB GLN 26 13.074 -14.899 0.212 205 HB3 GLN 26 1HB GLN 26 14.702 -14.677 -0.411 206 HG2 GLN 26 2HG GLN 26 15.231 -13.129 1.402 207 HG3 GLN 26 1HG GLN 26 13.576 -13.216 2.000 208 HE21 GLN 26 1HE2 GLN 26 15.417 -16.043 0.876 209 HE22 GLN 26 2HE2 GLN 26 15.557 -16.774 2.433 210 H THR 27 H THR 27 13.209 -11.426 1.144 211 HA THR 27 HA THR 27 10.478 -11.604 1.852 212 HB THR 27 HB THR 27 12.355 -9.278 2.471 213 HG1 THR 27 HG1 THR 27 12.255 -11.915 3.460 214 HG21 THR 27 3HG2 THR 27 9.989 -8.893 3.148 215 HG22 THR 27 1HG2 THR 27 11.025 -9.089 4.565 216 HG23 THR 27 2HG2 THR 27 9.989 -10.418 4.037 217 H ALA 28 H ALA 28 12.273 -9.452 -0.246 218 HA ALA 28 HA ALA 28 10.349 -7.389 -0.600 219 HB1 ALA 28 3HB ALA 28 12.752 -7.085 -1.078 220 HB2 ALA 28 1HB ALA 28 11.781 -6.699 -2.497 221 HB3 ALA 28 2HB ALA 28 12.654 -8.232 -2.413 222 H LYS 29 H LYS 29 11.181 -10.303 -2.441 223 HA LYS 29 HA LYS 29 9.397 -10.008 -4.600 224 HB2 LYS 29 2HB LYS 29 11.426 -11.548 -4.375 225 HB3 LYS 29 1HB LYS 29 10.423 -12.634 -3.431 226 HG2 LYS 29 2HG LYS 29 9.562 -11.837 -6.221 227 HG3 LYS 29 1HG LYS 29 10.831 -13.043 -6.017 228 HD2 LYS 29 2HD LYS 29 7.992 -13.244 -4.925 229 HD3 LYS 29 1HD LYS 29 8.622 -14.098 -6.337 230 HE2 LYS 29 2HE LYS 29 10.240 -15.287 -4.881 231 HE3 LYS 29 1HE LYS 29 9.590 -14.439 -3.476 232 HZ1 LYS 29 3HZ LYS 29 8.096 -16.301 -5.225 233 HZ2 LYS 29 1HZ LYS 29 7.466 -15.489 -3.882 234 HZ3 LYS 29 2HZ LYS 29 8.689 -16.638 -3.679 235 H VAL 30 H VAL 30 8.933 -11.157 -1.336 236 HA VAL 30 HA VAL 30 6.275 -12.250 -1.720 237 HB VAL 30 HB VAL 30 7.748 -11.572 0.869 238 HG11 VAL 30 1HG1 VAL 30 5.285 -13.321 0.449 239 HG12 VAL 30 2HG1 VAL 30 5.310 -11.753 1.255 240 HG13 VAL 30 3HG1 VAL 30 6.144 -13.129 1.979 241 HG21 VAL 30 3HG2 VAL 30 7.535 -14.244 -0.575 242 HG22 VAL 30 1HG2 VAL 30 8.319 -13.981 0.985 243 HG23 VAL 30 2HG2 VAL 30 8.981 -13.243 -0.474 244 H LEU 31 H LEU 31 7.685 -9.186 -0.540 245 HA LEU 31 HA LEU 31 5.274 -7.991 0.421 246 HB2 LEU 31 2HB LEU 31 7.853 -6.659 -0.505 247 HB3 LEU 31 1HB LEU 31 6.528 -5.805 0.272 248 HG LEU 31 HG LEU 31 8.334 -7.901 1.529 249 HD11 LEU 31 1HD1 LEU 31 9.029 -6.093 3.025 250 HD12 LEU 31 2HD1 LEU 31 7.976 -4.958 2.170 251 HD13 LEU 31 3HD1 LEU 31 9.352 -5.693 1.339 252 HD21 LEU 31 3HD2 LEU 31 6.055 -8.259 2.358 253 HD22 LEU 31 1HD2 LEU 31 5.916 -6.551 2.787 254 HD23 LEU 31 2HD2 LEU 31 7.076 -7.589 3.626 255 H LYS 32 H LYS 32 6.900 -7.962 -2.726 256 HA LYS 32 HA LYS 32 4.978 -6.187 -3.942 257 HB2 LYS 32 2HB LYS 32 7.401 -6.429 -4.716 258 HB3 LYS 32 1HB LYS 32 6.941 -7.969 -5.438 259 HG2 LYS 32 2HG LYS 32 5.285 -6.810 -6.857 260 HG3 LYS 32 1HG LYS 32 5.700 -5.275 -6.090 261 HD2 LYS 32 2HD LYS 32 8.038 -5.540 -6.973 262 HD3 LYS 32 1HD LYS 32 7.498 -6.974 -7.857 263 HE2 LYS 32 2HE LYS 32 5.871 -5.596 -9.101 264 HE3 LYS 32 1HE LYS 32 6.377 -4.165 -8.195 265 HZ1 LYS 32 3HZ LYS 32 8.606 -4.470 -9.133 266 HZ2 LYS 32 1HZ LYS 32 7.426 -4.199 -10.312 267 HZ3 LYS 32 2HZ LYS 32 8.031 -5.758 -10.063 268 H GLY 33 H GLY 33 5.318 -9.620 -3.442 269 HA2 GLY 33 2HA GLY 33 3.268 -10.603 -5.091 270 HA3 GLY 33 1HA GLY 33 3.726 -11.269 -3.525 271 H TYR 34 H TYR 34 3.144 -8.840 -2.032 272 HA TYR 34 HA TYR 34 0.268 -9.036 -1.721 273 HB2 TYR 34 2HB TYR 34 2.264 -7.189 -0.340 274 HB3 TYR 34 1HB TYR 34 0.582 -7.407 0.130 275 HD1 TYR 34 HD2 TYR 34 0.163 -10.283 0.077 276 HD2 TYR 34 HD1 TYR 34 3.609 -8.101 1.386 277 HE1 TYR 34 HE2 TYR 34 0.808 -12.162 1.514 278 HE2 TYR 34 HE1 TYR 34 4.254 -9.987 2.821 279 HH TYR 34 HH TYR 34 2.879 -13.069 2.515 280 H LEU 35 H LEU 35 2.620 -6.678 -3.001 281 HA LEU 35 HA LEU 35 0.892 -4.475 -3.343 282 HB2 LEU 35 2HB LEU 35 3.425 -5.240 -4.835 283 HB3 LEU 35 1HB LEU 35 2.577 -3.729 -5.126 284 HG LEU 35 HG LEU 35 3.861 -4.559 -2.491 285 HD11 LEU 35 1HD1 LEU 35 5.460 -2.744 -2.931 286 HD12 LEU 35 2HD1 LEU 35 4.707 -2.442 -4.500 287 HD13 LEU 35 3HD1 LEU 35 5.528 -3.977 -4.190 288 HD21 LEU 35 3HD2 LEU 35 2.384 -2.008 -3.223 289 HD22 LEU 35 1HD2 LEU 35 3.301 -2.262 -1.735 290 HD23 LEU 35 2HD2 LEU 35 1.867 -3.230 -2.060 291 H ASN 36 H ASN 36 1.996 -6.815 -5.813 292 HA ASN 36 HA ASN 36 0.506 -5.816 -7.958 293 HB2 ASN 36 2HB ASN 36 1.567 -8.636 -7.526 294 HB3 ASN 36 1HB ASN 36 1.019 -7.999 -9.076 295 HD21 ASN 36 1HD2 ASN 36 3.629 -9.056 -8.309 296 HD22 ASN 36 2HD2 ASN 36 4.773 -7.808 -8.655 297 H SER 37 H SER 37 -0.250 -8.398 -5.639 298 HA SER 37 HA SER 37 -2.587 -9.343 -6.994 299 HB2 SER 37 2HB SER 37 -1.306 -10.847 -5.551 300 HB3 SER 37 1HB SER 37 -1.612 -9.824 -4.146 301 HG SER 37 HG SER 37 -3.078 -11.820 -5.040 302 H ARG 38 H ARG 38 -2.080 -7.295 -4.100 303 HA ARG 38 HA ARG 38 -4.990 -7.055 -3.705 304 HB2 ARG 38 2HB ARG 38 -2.708 -6.174 -1.886 305 HB3 ARG 38 1HB ARG 38 -4.420 -6.147 -1.481 306 HG2 ARG 38 2HG ARG 38 -2.753 -8.641 -1.980 307 HG3 ARG 38 1HG ARG 38 -3.237 -8.025 -0.402 308 HD2 ARG 38 2HD ARG 38 -4.783 -9.758 -0.797 309 HD3 ARG 38 1HD ARG 38 -5.682 -8.320 -1.287 310 HE ARG 38 HE ARG 38 -4.272 -9.544 -3.471 311 HH11 ARG 38 1HH1 ARG 38 -7.251 -9.658 -1.658 312 HH12 ARG 38 2HH1 ARG 38 -8.091 -10.560 -2.872 313 HH21 ARG 38 1HH2 ARG 38 -5.385 -10.702 -5.066 314 HH22 ARG 38 2HH2 ARG 38 -7.039 -11.159 -4.798 315 H ILE 39 H ILE 39 -2.097 -4.885 -3.793 316 HA ILE 39 HA ILE 39 -3.784 -2.556 -3.501 317 HB ILE 39 HB ILE 39 -0.749 -2.701 -3.827 318 HG12 ILE 39 2HG1 ILE 39 -0.893 -1.901 -1.304 319 HG13 ILE 39 1HG1 ILE 39 -2.526 -2.547 -1.350 320 HG21 ILE 39 1HG2 ILE 39 -2.500 -0.332 -3.088 321 HG22 ILE 39 2HG2 ILE 39 -1.596 -0.537 -4.587 322 HG23 ILE 39 3HG2 ILE 39 -0.736 -0.347 -3.063 323 HD11 ILE 39 3HD1 ILE 39 -1.022 -4.115 -0.350 324 HD12 ILE 39 1HD1 ILE 39 0.038 -4.066 -1.759 325 HD13 ILE 39 2HD1 ILE 39 -1.580 -4.756 -1.895 326 H ILE 40 H ILE 40 -1.830 -3.938 -6.180 327 HA ILE 40 HA ILE 40 -1.722 -1.691 -7.818 328 HB ILE 40 HB ILE 40 -1.038 -4.524 -8.156 329 HG12 ILE 40 2HG1 ILE 40 0.878 -3.568 -9.491 330 HG13 ILE 40 1HG1 ILE 40 0.143 -1.979 -9.356 331 HG21 ILE 40 1HG2 ILE 40 -0.989 -4.628 -10.624 332 HG22 ILE 40 2HG2 ILE 40 -1.918 -3.129 -10.694 333 HG23 ILE 40 3HG2 ILE 40 -2.635 -4.577 -9.986 334 HD11 ILE 40 3HD1 ILE 40 0.447 -2.085 -6.923 335 HD12 ILE 40 1HD1 ILE 40 1.962 -2.216 -7.821 336 HD13 ILE 40 2HD1 ILE 40 1.229 -3.659 -7.111 337 HA PRO 41 HA PRO 41 -5.840 -2.934 -10.063 338 HB2 PRO 41 2HB PRO 41 -7.589 -4.680 -8.922 339 HB3 PRO 41 1HB PRO 41 -6.259 -5.231 -9.951 340 HG2 PRO 41 2HG PRO 41 -6.398 -5.126 -6.936 341 HG3 PRO 41 1HG PRO 41 -5.844 -6.456 -7.976 342 HD2 PRO 41 2HD PRO 41 -4.094 -4.742 -6.783 343 HD3 PRO 41 1HD PRO 41 -3.769 -5.461 -8.376 344 H SER 42 H SER 42 -5.582 -2.420 -6.633 345 HA SER 42 HA SER 42 -8.227 -1.146 -6.410 346 HB2 SER 42 2HB SER 42 -7.660 -2.709 -4.623 347 HB3 SER 42 1HB SER 42 -6.146 -1.862 -4.297 348 HG SER 42 HG SER 42 -8.782 -1.129 -3.683 349 H LEU 43 H LEU 43 -5.043 -0.270 -5.046 350 HA LEU 43 HA LEU 43 -5.652 2.596 -5.269 351 HB2 LEU 43 2HB LEU 43 -3.409 1.154 -3.799 352 HB3 LEU 43 1HB LEU 43 -3.828 2.851 -3.632 353 HG LEU 43 HG LEU 43 -5.677 0.566 -2.819 354 HD11 LEU 43 1HD1 LEU 43 -3.650 0.514 -1.436 355 HD12 LEU 43 2HD1 LEU 43 -5.047 1.028 -0.497 356 HD13 LEU 43 3HD1 LEU 43 -3.861 2.223 -1.031 357 HD21 LEU 43 3HD2 LEU 43 -6.938 2.308 -1.625 358 HD22 LEU 43 1HD2 LEU 43 -6.844 2.670 -3.349 359 HD23 LEU 43 2HD2 LEU 43 -5.817 3.543 -2.210 360 H GLY 44 H GLY 44 -3.752 0.191 -6.780 361 HA2 GLY 44 2HA GLY 44 -1.340 1.555 -7.346 362 HA3 GLY 44 1HA GLY 44 -1.945 0.128 -8.171 363 H ASN 45 H ASN 45 -4.207 0.907 -9.377 364 HA ASN 45 HA ASN 45 -3.336 2.387 -11.644 365 HB2 ASN 45 2HB ASN 45 -6.160 1.610 -10.817 366 HB3 ASN 45 1HB ASN 45 -5.691 2.159 -12.421 367 HD21 ASN 45 1HD2 ASN 45 -3.224 0.648 -12.590 368 HD22 ASN 45 2HD2 ASN 45 -3.672 -1.013 -12.730 369 H ILE 46 H ILE 46 -4.668 3.414 -8.641 370 HA ILE 46 HA ILE 46 -5.751 5.950 -9.543 371 HB ILE 46 HB ILE 46 -5.129 4.988 -6.705 372 HG12 ILE 46 2HG1 ILE 46 -7.798 4.872 -8.191 373 HG13 ILE 46 1HG1 ILE 46 -6.763 3.487 -7.857 374 HG21 ILE 46 1HG2 ILE 46 -6.950 7.259 -7.590 375 HG22 ILE 46 2HG2 ILE 46 -5.369 7.448 -6.834 376 HG23 ILE 46 3HG2 ILE 46 -6.697 6.724 -5.928 377 HD11 ILE 46 3HD1 ILE 46 -7.113 3.823 -5.443 378 HD12 ILE 46 1HD1 ILE 46 -8.619 3.561 -6.317 379 HD13 ILE 46 2HD1 ILE 46 -8.178 5.185 -5.800 380 H LYS 47 H LYS 47 -4.767 7.973 -9.315 381 HA LYS 47 HA LYS 47 -1.941 8.240 -9.166 382 HB2 LYS 47 2HB LYS 47 -4.175 10.301 -8.933 383 HB3 LYS 47 1HB LYS 47 -2.468 10.728 -9.004 384 HG2 LYS 47 2HG LYS 47 -3.954 9.216 -11.181 385 HG3 LYS 47 1HG LYS 47 -3.655 10.960 -11.189 386 HD2 LYS 47 2HD LYS 47 -1.204 10.539 -11.197 387 HD3 LYS 47 1HD LYS 47 -1.496 8.797 -11.159 388 HE2 LYS 47 2HE LYS 47 -0.923 9.559 -13.434 389 HE3 LYS 47 1HE LYS 47 -2.570 8.927 -13.378 390 HZ1 LYS 47 3HZ LYS 47 -2.531 10.928 -14.644 391 HZ2 LYS 47 1HZ LYS 47 -1.775 11.780 -13.393 392 HZ3 LYS 47 2HZ LYS 47 -3.359 11.227 -13.204 393 H LEU 48 H LEU 48 -0.651 8.974 -7.483 394 HA LEU 48 HA LEU 48 -1.225 8.032 -4.904 395 HB2 LEU 48 2HB LEU 48 1.028 8.121 -5.777 396 HB3 LEU 48 1HB LEU 48 0.955 9.863 -5.955 397 HG LEU 48 HG LEU 48 1.098 10.202 -3.551 398 HD11 LEU 48 1HD1 LEU 48 -0.283 8.342 -2.770 399 HD12 LEU 48 2HD1 LEU 48 1.269 8.365 -1.938 400 HD13 LEU 48 3HD1 LEU 48 0.977 7.196 -3.224 401 HD21 LEU 48 3HD2 LEU 48 3.123 8.116 -4.429 402 HD22 LEU 48 1HD2 LEU 48 3.314 9.241 -3.082 403 HD23 LEU 48 2HD2 LEU 48 3.224 9.851 -4.732 404 H ALA 49 H ALA 49 -1.331 11.327 -6.221 405 HA ALA 49 HA ALA 49 -1.875 12.737 -3.810 406 HB1 ALA 49 3HB ALA 49 -2.532 14.599 -5.289 407 HB2 ALA 49 1HB ALA 49 -2.542 13.502 -6.669 408 HB3 ALA 49 2HB ALA 49 -1.032 13.851 -5.835 409 H LYS 50 H LYS 50 -3.875 10.836 -5.914 410 HA LYS 50 HA LYS 50 -6.428 11.918 -4.971 411 HB2 LYS 50 2HB LYS 50 -5.841 9.661 -6.928 412 HB3 LYS 50 1HB LYS 50 -7.441 10.323 -6.587 413 HG2 LYS 50 2HG LYS 50 -5.113 11.777 -7.881 414 HG3 LYS 50 1HG LYS 50 -6.583 11.211 -8.681 415 HD2 LYS 50 2HD LYS 50 -7.939 12.803 -7.384 416 HD3 LYS 50 1HD LYS 50 -6.509 13.331 -6.491 417 HE2 LYS 50 2HE LYS 50 -7.049 14.955 -8.221 418 HE3 LYS 50 1HE LYS 50 -5.524 14.160 -8.618 419 HZ1 LYS 50 3HZ LYS 50 -6.705 12.750 -10.169 420 HZ2 LYS 50 1HZ LYS 50 -6.962 14.380 -10.540 421 HZ3 LYS 50 2HZ LYS 50 -8.170 13.488 -9.768 422 H LEU 51 H LEU 51 -4.265 9.555 -3.854 423 HA LEU 51 HA LEU 51 -6.117 7.666 -2.781 424 HB2 LEU 51 2HB LEU 51 -3.218 8.252 -2.328 425 HB3 LEU 51 1HB LEU 51 -4.054 7.490 -0.988 426 HG LEU 51 HG LEU 51 -4.782 5.649 -2.557 427 HD11 LEU 51 1HD1 LEU 51 -3.594 5.346 -4.678 428 HD12 LEU 51 2HD1 LEU 51 -2.810 6.916 -4.478 429 HD13 LEU 51 3HD1 LEU 51 -4.559 6.822 -4.690 430 HD21 LEU 51 3HD2 LEU 51 -2.640 4.483 -2.507 431 HD22 LEU 51 1HD2 LEU 51 -2.901 5.367 -1.004 432 HD23 LEU 51 2HD2 LEU 51 -1.788 6.001 -2.221 433 H THR 52 H THR 52 -7.798 8.714 -1.859 434 HA THR 52 HA THR 52 -7.410 10.352 0.550 435 HB THR 52 HB THR 52 -9.011 11.161 -1.176 436 HG1 THR 52 HG1 THR 52 -10.150 11.939 0.406 437 HG21 THR 52 3HG2 THR 52 -10.650 8.680 -0.555 438 HG22 THR 52 1HG2 THR 52 -9.784 8.977 -2.065 439 HG23 THR 52 2HG2 THR 52 -11.136 10.016 -1.603 440 H SER 53 H SER 53 -9.158 9.773 2.311 441 HA SER 53 HA SER 53 -8.416 7.232 3.382 442 HB2 SER 53 2HB SER 53 -8.834 9.264 4.793 443 HB3 SER 53 1HB SER 53 -10.555 9.127 4.430 444 HG SER 53 HG SER 53 -10.293 8.056 6.311 445 H LEU 54 H LEU 54 -11.128 8.329 1.486 446 HA LEU 54 HA LEU 54 -12.968 6.224 1.943 447 HB2 LEU 54 2HB LEU 54 -13.604 8.269 0.727 448 HB3 LEU 54 1HB LEU 54 -12.472 7.884 -0.558 449 HG LEU 54 HG LEU 54 -13.828 5.882 -1.159 450 HD11 LEU 54 1HD1 LEU 54 -14.814 5.357 1.000 451 HD12 LEU 54 2HD1 LEU 54 -16.066 5.540 -0.225 452 HD13 LEU 54 3HD1 LEU 54 -15.790 6.832 0.947 453 HD21 LEU 54 3HD2 LEU 54 -14.215 7.975 -2.361 454 HD22 LEU 54 1HD2 LEU 54 -15.416 8.471 -1.165 455 HD23 LEU 54 2HD2 LEU 54 -15.717 7.068 -2.195 456 H HIS 55 H HIS 55 -10.255 6.569 -0.349 457 HA HIS 55 HA HIS 55 -10.547 4.078 -1.695 458 HB2 HIS 55 2HB HIS 55 -8.141 5.912 -1.351 459 HB3 HIS 55 1HB HIS 55 -8.082 4.449 -2.324 460 HD1 HIS 55 HD1 HIS 55 -7.512 7.095 -3.620 461 HD2 HIS 55 HD2 HIS 55 -11.295 5.405 -3.476 462 HE1 HIS 55 HE1 HIS 55 -8.721 8.032 -5.581 463 HE2 HIS 55 HE2 HIS 55 -10.958 6.869 -5.579 464 H MET 56 H MET 56 -8.795 5.057 1.189 465 HA MET 56 HA MET 56 -7.356 2.675 1.719 466 HB2 MET 56 2HB MET 56 -8.463 4.742 3.664 467 HB3 MET 56 1HB MET 56 -7.248 3.532 4.056 468 HG2 MET 56 2HG MET 56 -6.876 5.744 2.028 469 HG3 MET 56 1HG MET 56 -6.331 5.808 3.696 470 HE1 MET 56 3HE MET 56 -5.158 5.357 0.245 471 HE2 MET 56 1HE MET 56 -5.921 3.768 0.293 472 HE3 MET 56 2HE MET 56 -4.164 3.901 0.202 473 H GLN 57 H GLN 57 -10.540 3.842 2.736 474 HA GLN 57 HA GLN 57 -11.306 1.648 4.342 475 HB2 GLN 57 2HB GLN 57 -12.412 3.832 4.521 476 HB3 GLN 57 1HB GLN 57 -12.989 3.725 2.864 477 HG2 GLN 57 2HG GLN 57 -14.783 3.279 4.474 478 HG3 GLN 57 1HG GLN 57 -14.471 1.861 3.478 479 HE21 GLN 57 1HE2 GLN 57 -13.547 0.024 4.445 480 HE22 GLN 57 2HE2 GLN 57 -13.488 -0.195 6.152 481 H ASN 58 H ASN 58 -11.837 2.398 0.894 482 HA ASN 58 HA ASN 58 -13.569 0.239 0.279 483 HB2 ASN 58 2HB ASN 58 -11.784 1.927 -1.523 484 HB3 ASN 58 1HB ASN 58 -12.943 0.747 -2.135 485 HD21 ASN 58 1HD2 ASN 58 -12.869 3.589 -2.616 486 HD22 ASN 58 2HD2 ASN 58 -14.369 4.229 -2.051 487 H TYR 59 H TYR 59 -10.080 0.570 0.366 488 HA TYR 59 HA TYR 59 -9.363 -1.907 -0.808 489 HB2 TYR 59 2HB TYR 59 -7.715 -0.098 -0.421 490 HB3 TYR 59 1HB TYR 59 -7.900 -0.285 1.319 491 HD1 TYR 59 HD2 TYR 59 -6.532 -1.861 -1.759 492 HD2 TYR 59 HD1 TYR 59 -6.801 -2.143 2.505 493 HE1 TYR 59 HE2 TYR 59 -4.768 -3.577 -1.748 494 HE2 TYR 59 HE1 TYR 59 -5.047 -3.848 2.504 495 HH TYR 59 HH TYR 59 -3.051 -4.422 -0.060 496 H VAL 60 H VAL 60 -9.953 -0.943 2.587 497 HA VAL 60 HA VAL 60 -9.470 -3.488 3.767 498 HB VAL 60 HB VAL 60 -11.117 -1.158 4.858 499 HG11 VAL 60 1HG1 VAL 60 -10.698 -2.143 7.110 500 HG12 VAL 60 2HG1 VAL 60 -9.939 -3.546 6.350 501 HG13 VAL 60 3HG1 VAL 60 -11.655 -3.221 6.089 502 HG21 VAL 60 3HG2 VAL 60 -9.071 -0.528 6.089 503 HG22 VAL 60 1HG2 VAL 60 -8.790 -0.515 4.347 504 HG23 VAL 60 2HG2 VAL 60 -8.190 -1.855 5.326 505 H ASN 61 H ASN 61 -12.327 -2.006 2.360 506 HA ASN 61 HA ASN 61 -14.342 -3.710 3.358 507 HB2 ASN 61 2HB ASN 61 -14.264 -2.063 0.792 508 HB3 ASN 61 1HB ASN 61 -15.701 -2.912 1.358 509 HD21 ASN 61 1HD2 ASN 61 -15.342 -0.054 0.921 510 HD22 ASN 61 2HD2 ASN 61 -15.649 0.716 2.437 511 H SER 62 H SER 62 -12.430 -3.840 0.327 512 HA SER 62 HA SER 62 -13.666 -6.148 -0.748 513 HB2 SER 62 2HB SER 62 -11.682 -6.281 -2.260 514 HB3 SER 62 1HB SER 62 -12.338 -4.650 -2.161 515 HG SER 62 HG SER 62 -10.376 -5.099 -0.308 516 H LEU 63 H LEU 63 -11.087 -5.782 1.627 517 HA LEU 63 HA LEU 63 -9.889 -8.348 1.454 518 HB2 LEU 63 2HB LEU 63 -10.078 -6.644 3.964 519 HB3 LEU 63 1HB LEU 63 -8.892 -7.899 3.629 520 HG LEU 63 HG LEU 63 -9.096 -5.165 2.322 521 HD11 LEU 63 1HD1 LEU 63 -6.933 -6.334 4.092 522 HD12 LEU 63 2HD1 LEU 63 -8.124 -5.112 4.552 523 HD13 LEU 63 3HD1 LEU 63 -6.908 -4.738 3.332 524 HD21 LEU 63 3HD2 LEU 63 -8.451 -6.778 0.603 525 HD22 LEU 63 1HD2 LEU 63 -7.142 -7.377 1.626 526 HD23 LEU 63 2HD2 LEU 63 -7.101 -5.724 1.008 527 H ARG 64 H ARG 64 -12.741 -7.193 3.144 528 HA ARG 64 HA ARG 64 -13.257 -9.442 4.811 529 HB2 ARG 64 2HB ARG 64 -14.290 -7.132 5.038 530 HB3 ARG 64 1HB ARG 64 -15.286 -7.495 3.632 531 HG2 ARG 64 2HG ARG 64 -16.199 -9.492 4.959 532 HG3 ARG 64 1HG ARG 64 -15.358 -8.828 6.362 533 HD2 ARG 64 2HD ARG 64 -17.614 -7.542 4.790 534 HD3 ARG 64 1HD ARG 64 -17.666 -8.123 6.458 535 HE ARG 64 HE ARG 64 -15.984 -5.824 5.603 536 HH11 ARG 64 1HH1 ARG 64 -18.211 -7.227 7.926 537 HH12 ARG 64 2HH1 ARG 64 -18.268 -5.809 8.914 538 HH21 ARG 64 1HH2 ARG 64 -16.073 -3.964 6.906 539 HH22 ARG 64 2HH2 ARG 64 -17.038 -3.959 8.347 540 H ASP 65 H ASP 65 -14.315 -8.501 1.541 541 HA ASP 65 HA ASP 65 -15.954 -10.771 0.989 542 HB2 ASP 65 2HB ASP 65 -14.592 -8.782 -0.872 543 HB3 ASP 65 1HB ASP 65 -15.730 -10.008 -1.419 544 H GLU 66 H GLU 66 -12.502 -10.184 0.764 545 HA GLU 66 HA GLU 66 -11.895 -12.563 -0.772 546 HB2 GLU 66 2HB GLU 66 -10.056 -10.837 0.948 547 HB3 GLU 66 1HB GLU 66 -9.531 -12.057 -0.211 548 HG2 GLU 66 2HG GLU 66 -10.898 -9.420 -0.804 549 HG3 GLU 66 1HG GLU 66 -9.238 -9.862 -1.173 550 H GLY 67 H GLY 67 -12.503 -11.789 2.530 551 HA2 GLY 67 2HA GLY 67 -12.658 -13.053 4.426 552 HA3 GLY 67 1HA GLY 67 -12.438 -14.489 3.431 553 H LEU 68 H LEU 68 -10.236 -11.747 3.715 554 HA LEU 68 HA LEU 68 -7.974 -13.416 4.219 555 HB2 LEU 68 2HB LEU 68 -8.229 -10.385 4.304 556 HB3 LEU 68 1HB LEU 68 -6.708 -11.264 4.426 557 HG LEU 68 HG LEU 68 -8.545 -11.163 2.001 558 HD11 LEU 68 1HD1 LEU 68 -5.751 -10.068 2.397 559 HD12 LEU 68 2HD1 LEU 68 -7.244 -9.127 2.337 560 HD13 LEU 68 3HD1 LEU 68 -6.700 -10.001 0.907 561 HD21 LEU 68 3HD2 LEU 68 -7.566 -13.402 2.164 562 HD22 LEU 68 1HD2 LEU 68 -5.951 -12.711 2.330 563 HD23 LEU 68 2HD2 LEU 68 -6.851 -12.514 0.823 564 H LYS 69 H LYS 69 -6.769 -13.648 6.020 565 HA LYS 69 HA LYS 69 -8.118 -13.343 8.592 566 HB2 LYS 69 2HB LYS 69 -6.332 -14.862 9.413 567 HB3 LYS 69 1HB LYS 69 -7.175 -15.516 8.017 568 HG2 LYS 69 2HG LYS 69 -5.174 -14.528 6.650 569 HG3 LYS 69 1HG LYS 69 -4.349 -14.474 8.210 570 HD2 LYS 69 2HD LYS 69 -5.528 -16.952 6.883 571 HD3 LYS 69 1HD LYS 69 -3.814 -16.539 6.962 572 HE2 LYS 69 2HE LYS 69 -5.534 -17.051 9.419 573 HE3 LYS 69 1HE LYS 69 -4.562 -18.287 8.624 574 HZ1 LYS 69 3HZ LYS 69 -2.591 -17.002 9.081 575 HZ2 LYS 69 1HZ LYS 69 -3.429 -17.317 10.515 576 HZ3 LYS 69 2HZ LYS 69 -3.503 -15.782 9.811 577 H ARG 70 H ARG 70 -6.888 -12.525 10.492 578 HA ARG 70 HA ARG 70 -6.267 -9.833 10.114 579 HB2 ARG 70 2HB ARG 70 -5.617 -9.735 12.493 580 HB3 ARG 70 1HB ARG 70 -7.073 -10.706 12.277 581 HG2 ARG 70 2HG ARG 70 -5.812 -12.758 12.528 582 HG3 ARG 70 1HG ARG 70 -4.289 -11.875 12.568 583 HD2 ARG 70 2HD ARG 70 -4.886 -10.881 14.710 584 HD3 ARG 70 1HD ARG 70 -6.481 -11.644 14.658 585 HE ARG 70 HE ARG 70 -4.798 -13.744 14.429 586 HH11 ARG 70 1HH1 ARG 70 -4.810 -11.130 16.790 587 HH12 ARG 70 2HH1 ARG 70 -4.296 -12.168 18.085 588 HH21 ARG 70 1HH2 ARG 70 -4.078 -15.037 16.092 589 HH22 ARG 70 2HH2 ARG 70 -3.870 -14.376 17.682 590 H GLY 71 H GLY 71 -4.027 -12.562 10.320 591 HA2 GLY 71 2HA GLY 71 -1.594 -11.170 10.463 592 HA3 GLY 71 1HA GLY 71 -1.821 -12.778 9.780 593 H THR 72 H THR 72 -3.414 -12.326 7.626 594 HA THR 72 HA THR 72 -1.654 -11.421 5.609 595 HB THR 72 HB THR 72 -4.676 -11.834 5.426 596 HG1 THR 72 HG1 THR 72 -2.618 -13.588 5.757 597 HG21 THR 72 3HG2 THR 72 -4.269 -12.262 3.016 598 HG22 THR 72 1HG2 THR 72 -2.554 -11.872 3.227 599 HG23 THR 72 2HG2 THR 72 -3.786 -10.624 3.453 600 H ILE 73 H ILE 73 -4.602 -9.994 6.999 601 HA ILE 73 HA ILE 73 -4.704 -7.678 5.426 602 HB ILE 73 HB ILE 73 -5.829 -8.078 8.230 603 HG12 ILE 73 2HG1 ILE 73 -7.188 -8.408 5.509 604 HG13 ILE 73 1HG1 ILE 73 -6.719 -9.725 6.579 605 HG21 ILE 73 1HG2 ILE 73 -6.522 -5.938 6.169 606 HG22 ILE 73 2HG2 ILE 73 -5.687 -5.675 7.701 607 HG23 ILE 73 3HG2 ILE 73 -7.367 -6.198 7.695 608 HD11 ILE 73 3HD1 ILE 73 -9.095 -9.305 6.716 609 HD12 ILE 73 1HD1 ILE 73 -8.808 -7.621 7.160 610 HD13 ILE 73 2HD1 ILE 73 -8.325 -8.920 8.254 611 H GLU 74 H GLU 74 -3.161 -8.310 8.577 612 HA GLU 74 HA GLU 74 -2.477 -5.686 9.268 613 HB2 GLU 74 2HB GLU 74 -2.254 -7.623 10.826 614 HB3 GLU 74 1HB GLU 74 -0.861 -8.194 9.912 615 HG2 GLU 74 2HG GLU 74 0.347 -6.084 10.483 616 HG3 GLU 74 1HG GLU 74 -1.052 -5.560 11.418 617 H LYS 75 H LYS 75 -0.600 -8.135 7.455 618 HA LYS 75 HA LYS 75 1.773 -6.600 7.196 619 HB2 LYS 75 2HB LYS 75 0.733 -8.949 5.560 620 HB3 LYS 75 1HB LYS 75 2.355 -8.278 5.395 621 HG2 LYS 75 2HG LYS 75 2.854 -8.873 7.739 622 HG3 LYS 75 1HG LYS 75 1.223 -9.528 7.927 623 HD2 LYS 75 2HD LYS 75 3.342 -10.565 5.999 624 HD3 LYS 75 1HD LYS 75 2.903 -11.309 7.540 625 HE2 LYS 75 2HE LYS 75 0.606 -11.709 6.672 626 HE3 LYS 75 1HE LYS 75 1.072 -10.978 5.135 627 HZ1 LYS 75 3HZ LYS 75 1.159 -13.357 5.032 628 HZ2 LYS 75 1HZ LYS 75 2.257 -13.420 6.312 629 HZ3 LYS 75 2HZ LYS 75 2.705 -12.712 4.849 630 H ILE 76 H ILE 76 -0.937 -7.168 4.919 631 HA ILE 76 HA ILE 76 0.227 -5.711 2.761 632 HB ILE 76 HB ILE 76 -1.940 -5.883 1.618 633 HG12 ILE 76 2HG1 ILE 76 -3.036 -6.896 4.280 634 HG13 ILE 76 1HG1 ILE 76 -3.498 -5.407 3.463 635 HG21 ILE 76 1HG2 ILE 76 -2.178 -8.331 1.559 636 HG22 ILE 76 2HG2 ILE 76 -1.279 -8.471 3.072 637 HG23 ILE 76 3HG2 ILE 76 -0.475 -7.870 1.620 638 HD11 ILE 76 3HD1 ILE 76 -5.212 -7.074 3.223 639 HD12 ILE 76 1HD1 ILE 76 -4.065 -8.220 2.537 640 HD13 ILE 76 2HD1 ILE 76 -4.490 -6.755 1.646 641 H ILE 77 H ILE 77 -1.944 -4.757 5.399 642 HA ILE 77 HA ILE 77 -2.431 -2.089 4.530 643 HB ILE 77 HB ILE 77 -2.530 -3.350 7.300 644 HG12 ILE 77 2HG1 ILE 77 -4.297 -4.181 5.837 645 HG13 ILE 77 1HG1 ILE 77 -5.024 -3.109 7.026 646 HG21 ILE 77 1HG2 ILE 77 -2.048 -0.985 7.671 647 HG22 ILE 77 2HG2 ILE 77 -3.716 -1.332 8.132 648 HG23 ILE 77 3HG2 ILE 77 -3.374 -0.518 6.604 649 HD11 ILE 77 3HD1 ILE 77 -6.025 -2.746 4.894 650 HD12 ILE 77 1HD1 ILE 77 -4.453 -2.495 4.135 651 HD13 ILE 77 2HD1 ILE 77 -5.064 -1.329 5.305 652 H LYS 78 H LYS 78 0.103 -3.551 6.604 653 HA LYS 78 HA LYS 78 1.360 -1.104 7.374 654 HB2 LYS 78 2HB LYS 78 2.555 -3.908 7.284 655 HB3 LYS 78 1HB LYS 78 3.339 -2.513 8.020 656 HG2 LYS 78 2HG LYS 78 0.829 -3.925 8.939 657 HG3 LYS 78 1HG LYS 78 2.377 -3.829 9.770 658 HD2 LYS 78 2HD LYS 78 2.013 -1.361 10.057 659 HD3 LYS 78 1HD LYS 78 0.420 -1.532 9.307 660 HE2 LYS 78 2HE LYS 78 0.207 -1.492 11.748 661 HE3 LYS 78 1HE LYS 78 -0.247 -3.083 11.138 662 HZ1 LYS 78 3HZ LYS 78 2.384 -2.374 12.330 663 HZ2 LYS 78 1HZ LYS 78 1.944 -3.895 11.745 664 HZ3 LYS 78 2HZ LYS 78 1.156 -3.252 13.092 665 H VAL 79 H VAL 79 1.773 -3.231 4.615 666 HA VAL 79 HA VAL 79 4.130 -2.121 3.507 667 HB VAL 79 HB VAL 79 1.815 -3.644 2.210 668 HG11 VAL 79 1HG1 VAL 79 4.502 -2.954 0.972 669 HG12 VAL 79 2HG1 VAL 79 2.938 -2.311 0.469 670 HG13 VAL 79 3HG1 VAL 79 3.292 -4.027 0.260 671 HG21 VAL 79 3HG2 VAL 79 3.366 -5.573 2.239 672 HG22 VAL 79 1HG2 VAL 79 3.119 -4.947 3.872 673 HG23 VAL 79 2HG2 VAL 79 4.607 -4.574 3.001 674 H ILE 80 H ILE 80 0.663 -1.334 3.071 675 HA ILE 80 HA ILE 80 0.988 0.768 1.162 676 HB ILE 80 HB ILE 80 -1.261 0.373 3.190 677 HG12 ILE 80 2HG1 ILE 80 -1.162 -0.466 0.263 678 HG13 ILE 80 1HG1 ILE 80 -0.917 -1.561 1.620 679 HG21 ILE 80 1HG2 ILE 80 -1.254 2.085 0.669 680 HG22 ILE 80 2HG2 ILE 80 -1.278 2.679 2.332 681 HG23 ILE 80 3HG2 ILE 80 -2.657 1.780 1.696 682 HD11 ILE 80 3HD1 ILE 80 -3.160 -1.719 0.693 683 HD12 ILE 80 1HD1 ILE 80 -3.443 -0.018 1.039 684 HD13 ILE 80 2HD1 ILE 80 -3.208 -1.162 2.363 685 H ARG 81 H ARG 81 0.737 0.731 4.698 686 HA ARG 81 HA ARG 81 0.725 3.504 5.184 687 HB2 ARG 81 2HB ARG 81 1.716 1.246 6.976 688 HB3 ARG 81 1HB ARG 81 1.511 2.915 7.513 689 HG2 ARG 81 2HG ARG 81 -0.927 2.729 6.918 690 HG3 ARG 81 1HG ARG 81 -0.669 1.011 6.593 691 HD2 ARG 81 2HD ARG 81 -1.587 1.340 8.842 692 HD3 ARG 81 1HD ARG 81 0.055 0.701 8.953 693 HE ARG 81 HE ARG 81 0.782 3.044 9.390 694 HH11 ARG 81 1HH1 ARG 81 -2.560 2.230 10.116 695 HH12 ARG 81 2HH1 ARG 81 -2.712 3.474 11.312 696 HH21 ARG 81 1HH2 ARG 81 0.548 4.684 10.908 697 HH22 ARG 81 2HH2 ARG 81 -0.959 4.877 11.742 698 H ASN 82 H ASN 82 3.403 1.166 5.037 699 HA ASN 82 HA ASN 82 5.515 2.942 5.690 700 HB2 ASN 82 2HB ASN 82 5.693 0.429 5.781 701 HB3 ASN 82 1HB ASN 82 5.670 0.389 4.021 702 HD21 ASN 82 1HD2 ASN 82 7.529 1.208 6.844 703 HD22 ASN 82 2HD2 ASN 82 9.046 1.400 6.048 704 H SER 83 H SER 83 4.090 1.910 2.615 705 HA SER 83 HA SER 83 5.822 3.209 0.824 706 HB2 SER 83 2HB SER 83 4.155 1.499 0.152 707 HB3 SER 83 1HB SER 83 2.847 2.620 0.537 708 HG SER 83 HG SER 83 3.207 2.766 -1.620 709 H LEU 84 H LEU 84 2.787 4.339 2.372 710 HA LEU 84 HA LEU 84 2.842 6.928 1.146 711 HB2 LEU 84 2HB LEU 84 1.212 5.878 3.482 712 HB3 LEU 84 1HB LEU 84 0.975 7.456 2.741 713 HG LEU 84 HG LEU 84 0.501 4.744 1.437 714 HD11 LEU 84 1HD1 LEU 84 -1.265 5.462 2.978 715 HD12 LEU 84 2HD1 LEU 84 -1.831 5.433 1.313 716 HD13 LEU 84 3HD1 LEU 84 -1.449 6.974 2.088 717 HD21 LEU 84 3HD2 LEU 84 -0.259 5.981 -0.559 718 HD22 LEU 84 1HD2 LEU 84 1.455 6.232 -0.236 719 HD23 LEU 84 2HD2 LEU 84 0.289 7.492 0.170 720 H GLU 85 H GLU 85 4.206 5.631 4.118 721 HA GLU 85 HA GLU 85 4.896 8.098 5.370 722 HB2 GLU 85 2HB GLU 85 6.082 5.299 5.565 723 HB3 GLU 85 1HB GLU 85 6.731 6.652 6.489 724 HG2 GLU 85 2HG GLU 85 3.866 5.662 6.669 725 HG3 GLU 85 1HG GLU 85 5.162 5.194 7.771 726 H HIS 86 H HIS 86 6.517 6.005 2.997 727 HA HIS 86 HA HIS 86 8.872 7.642 2.755 728 HB2 HIS 86 2HB HIS 86 8.913 5.204 2.250 729 HB3 HIS 86 1HB HIS 86 7.814 5.463 0.903 730 HD1 HIS 86 HD1 HIS 86 11.378 6.257 1.965 731 HD2 HIS 86 HD2 HIS 86 9.066 6.123 -1.483 732 HE1 HIS 86 HE1 HIS 86 12.990 6.532 0.055 733 HE2 HIS 86 HE2 HIS 86 11.581 6.384 -2.021 734 H ALA 87 H ALA 87 5.684 7.650 1.334 735 HA ALA 87 HA ALA 87 6.260 9.441 -0.833 736 HB1 ALA 87 3HB ALA 87 3.817 9.700 -1.007 737 HB2 ALA 87 1HB ALA 87 3.609 8.859 0.533 738 HB3 ALA 87 2HB ALA 87 4.265 7.999 -0.860 739 H ILE 88 H ILE 88 5.296 9.871 2.581 740 HA ILE 88 HA ILE 88 5.122 12.736 2.533 741 HB ILE 88 HB ILE 88 5.704 10.820 4.836 742 HG12 ILE 88 2HG1 ILE 88 3.151 12.293 4.050 743 HG13 ILE 88 1HG1 ILE 88 3.447 10.566 3.867 744 HG21 ILE 88 1HG2 ILE 88 5.107 13.799 5.037 745 HG22 ILE 88 2HG2 ILE 88 6.646 13.022 5.413 746 HG23 ILE 88 3HG2 ILE 88 5.228 12.683 6.402 747 HD11 ILE 88 3HD1 ILE 88 2.017 11.040 5.768 748 HD12 ILE 88 1HD1 ILE 88 3.266 12.052 6.491 749 HD13 ILE 88 2HD1 ILE 88 3.535 10.316 6.295 750 H ASP 89 H ASP 89 7.707 10.432 3.170 751 HA ASP 89 HA ASP 89 9.847 12.095 3.824 752 HB2 ASP 89 2HB ASP 89 10.115 9.759 4.143 753 HB3 ASP 89 1HB ASP 89 9.611 9.382 2.505 754 H LEU 90 H LEU 90 8.798 10.957 0.607 755 HA LEU 90 HA LEU 90 10.654 12.637 -0.853 756 HB2 LEU 90 2HB LEU 90 8.283 11.024 -1.864 757 HB3 LEU 90 1HB LEU 90 9.515 11.765 -2.874 758 HG LEU 90 HG LEU 90 9.929 9.444 -0.941 759 HD11 LEU 90 1HD1 LEU 90 9.995 9.506 -3.973 760 HD12 LEU 90 2HD1 LEU 90 8.744 8.780 -2.959 761 HD13 LEU 90 3HD1 LEU 90 10.375 8.112 -2.953 762 HD21 LEU 90 3HD2 LEU 90 11.984 10.811 -2.712 763 HD22 LEU 90 1HD2 LEU 90 12.241 9.313 -1.808 764 HD23 LEU 90 2HD2 LEU 90 11.939 10.817 -0.949 765 H GLU 91 H GLU 91 7.675 13.118 0.636 766 HA GLU 91 HA GLU 91 6.337 14.885 0.948 767 HB2 GLU 91 2HB GLU 91 8.328 16.346 -0.816 768 HB3 GLU 91 1HB GLU 91 6.961 17.144 -0.051 769 HG2 GLU 91 2HG GLU 91 7.860 16.423 2.179 770 HG3 GLU 91 1HG GLU 91 9.277 15.777 1.351 771 H LEU 92 H LEU 92 6.174 13.007 -1.413 772 HA LEU 92 HA LEU 92 4.687 14.144 -3.532 773 HB2 LEU 92 2HB LEU 92 4.589 11.347 -2.342 774 HB3 LEU 92 1HB LEU 92 3.947 11.792 -3.920 775 HG LEU 92 HG LEU 92 6.891 12.048 -3.196 776 HD11 LEU 92 1HD1 LEU 92 5.552 9.755 -4.659 777 HD12 LEU 92 2HD1 LEU 92 6.244 9.690 -3.034 778 HD13 LEU 92 3HD1 LEU 92 7.290 9.975 -4.424 779 HD21 LEU 92 3HD2 LEU 92 6.156 13.468 -5.072 780 HD22 LEU 92 1HD2 LEU 92 5.505 12.048 -5.901 781 HD23 LEU 92 2HD2 LEU 92 7.244 12.193 -5.619 782 H ILE 93 H ILE 93 3.827 13.149 -0.295 783 HA ILE 93 HA ILE 93 1.211 14.470 -0.532 784 HB ILE 93 HB ILE 93 0.109 12.780 0.984 785 HG12 ILE 93 2HG1 ILE 93 2.529 11.026 0.365 786 HG13 ILE 93 1HG1 ILE 93 2.167 11.745 1.929 787 HG21 ILE 93 1HG2 ILE 93 -0.431 11.109 -0.743 788 HG22 ILE 93 2HG2 ILE 93 0.965 11.625 -1.693 789 HG23 ILE 93 3HG2 ILE 93 -0.380 12.738 -1.424 790 HD11 ILE 93 3HD1 ILE 93 0.132 10.371 2.067 791 HD12 ILE 93 1HD1 ILE 93 1.599 9.402 1.903 792 HD13 ILE 93 2HD1 ILE 93 0.542 9.639 0.513 793 H THR 94 H THR 94 0.513 15.380 1.494 794 HA THR 94 HA THR 94 2.730 16.027 3.319 795 HB THR 94 HB THR 94 1.111 17.811 4.177 796 HG1 THR 94 HG1 THR 94 -0.847 16.937 3.520 797 HG21 THR 94 3HG2 THR 94 2.851 18.379 2.505 798 HG22 THR 94 1HG2 THR 94 1.371 19.305 2.222 799 HG23 THR 94 2HG2 THR 94 1.755 17.918 1.198 800 H LYS 95 H LYS 95 -0.263 14.251 3.246 801 HA LYS 95 HA LYS 95 0.077 13.450 6.072 802 HB2 LYS 95 2HB LYS 95 -1.872 14.945 5.988 803 HB3 LYS 95 1HB LYS 95 -2.543 14.072 4.617 804 HG2 LYS 95 2HG LYS 95 -2.819 12.060 6.093 805 HG3 LYS 95 1HG LYS 95 -2.265 13.020 7.464 806 HD2 LYS 95 2HD LYS 95 -4.683 13.836 5.800 807 HD3 LYS 95 1HD LYS 95 -4.822 12.703 7.141 808 HE2 LYS 95 2HE LYS 95 -5.442 14.941 7.875 809 HE3 LYS 95 1HE LYS 95 -3.961 14.453 8.690 810 HZ1 LYS 95 3HZ LYS 95 -3.904 16.744 7.934 811 HZ2 LYS 95 1HZ LYS 95 -4.119 16.243 6.332 812 HZ3 LYS 95 2HZ LYS 95 -2.713 15.823 7.169 813 H ASN 96 H ASN 96 0.202 11.293 6.310 814 HA ASN 96 HA ASN 96 -0.236 9.407 4.181 815 HB2 ASN 96 2HB ASN 96 1.461 9.112 6.043 816 HB3 ASN 96 1HB ASN 96 0.135 8.885 7.171 817 HD21 ASN 96 1HD2 ASN 96 2.365 7.111 6.347 818 HD22 ASN 96 2HD2 ASN 96 1.613 5.645 5.829 819 H VAL 97 H VAL 97 -2.287 8.968 3.535 820 HA VAL 97 HA VAL 97 -4.597 9.378 5.224 821 HB VAL 97 HB VAL 97 -5.923 8.589 3.245 822 HG11 VAL 97 1HG1 VAL 97 -5.360 10.492 1.756 823 HG12 VAL 97 2HG1 VAL 97 -3.811 10.694 2.578 824 HG13 VAL 97 3HG1 VAL 97 -5.320 10.979 3.452 825 HG21 VAL 97 3HG2 VAL 97 -3.208 8.197 1.898 826 HG22 VAL 97 1HG2 VAL 97 -4.774 8.091 1.094 827 HG23 VAL 97 2HG2 VAL 97 -4.336 6.913 2.330 828 H ALA 98 H ALA 98 -2.490 6.737 4.641 829 HA ALA 98 HA ALA 98 -4.369 4.681 5.580 830 HB1 ALA 98 3HB ALA 98 -1.452 4.410 4.774 831 HB2 ALA 98 1HB ALA 98 -2.847 4.063 3.748 832 HB3 ALA 98 2HB ALA 98 -2.544 3.081 5.184 833 H ALA 99 H ALA 99 -2.506 7.055 6.989 834 HA ALA 99 HA ALA 99 -1.498 5.792 9.318 835 HB1 ALA 99 3HB ALA 99 -0.887 8.103 8.703 836 HB2 ALA 99 1HB ALA 99 -1.529 8.027 10.347 837 HB3 ALA 99 2HB ALA 99 -2.540 8.632 9.028 838 H LYS 100 H LYS 100 -4.700 6.864 8.358 839 HA LYS 100 HA LYS 100 -6.012 6.312 10.878 840 HB2 LYS 100 2HB LYS 100 -7.123 6.730 8.071 841 HB3 LYS 100 1HB LYS 100 -8.103 6.629 9.528 842 HG2 LYS 100 2HG LYS 100 -6.039 8.784 8.937 843 HG3 LYS 100 1HG LYS 100 -7.789 8.955 8.757 844 HD2 LYS 100 2HD LYS 100 -6.293 8.454 11.368 845 HD3 LYS 100 1HD LYS 100 -7.023 9.979 10.868 846 HE2 LYS 100 2HE LYS 100 -9.266 8.877 10.911 847 HE3 LYS 100 1HE LYS 100 -8.502 7.394 11.492 848 HZ1 LYS 100 3HZ LYS 100 -8.574 10.012 12.867 849 HZ2 LYS 100 1HZ LYS 100 -7.707 8.673 13.411 850 HZ3 LYS 100 2HZ LYS 100 -9.390 8.604 13.319 851 H THR 101 H THR 101 -5.041 4.458 8.104 852 HA THR 101 HA THR 101 -7.009 2.350 8.371 853 HB THR 101 HB THR 101 -4.454 2.264 6.695 854 HG1 THR 101 HG1 THR 101 -5.756 3.067 5.019 855 HG21 THR 101 3HG2 THR 101 -7.120 0.830 6.381 856 HG22 THR 101 1HG2 THR 101 -5.617 0.089 6.941 857 HG23 THR 101 2HG2 THR 101 -5.739 0.703 5.291 858 H LYS 102 H LYS 102 -6.750 1.523 10.410 859 HA LYS 102 HA LYS 102 -4.244 0.102 11.046 860 HB2 LYS 102 2HB LYS 102 -5.423 -0.148 13.362 861 HB3 LYS 102 1HB LYS 102 -4.762 1.413 12.917 862 HG2 LYS 102 2HG LYS 102 -6.839 1.871 13.956 863 HG3 LYS 102 1HG LYS 102 -7.103 2.114 12.230 864 HD2 LYS 102 2HD LYS 102 -9.020 0.963 13.182 865 HD3 LYS 102 1HD LYS 102 -8.166 -0.144 12.106 866 HE2 LYS 102 2HE LYS 102 -7.070 -1.172 14.112 867 HE3 LYS 102 1HE LYS 102 -8.031 -0.110 15.145 868 HZ1 LYS 102 3HZ LYS 102 -9.117 -2.119 13.257 869 HZ2 LYS 102 1HZ LYS 102 -10.023 -1.121 14.274 870 HZ3 LYS 102 2HZ LYS 102 -9.010 -2.300 14.930 871 H LEU 103 H LEU 103 -4.587 -2.061 12.096 872 HA LEU 103 HA LEU 103 -5.829 -3.843 10.285 873 HB2 LEU 103 2HB LEU 103 -3.838 -4.510 11.471 874 HB3 LEU 103 1HB LEU 103 -4.594 -4.233 13.028 875 HG LEU 103 HG LEU 103 -6.097 -6.185 12.643 876 HD11 LEU 103 1HD1 LEU 103 -5.663 -7.766 10.820 877 HD12 LEU 103 2HD1 LEU 103 -4.503 -6.640 10.111 878 HD13 LEU 103 3HD1 LEU 103 -6.209 -6.201 10.220 879 HD21 LEU 103 3HD2 LEU 103 -4.413 -7.944 12.977 880 HD22 LEU 103 1HD2 LEU 103 -4.015 -6.494 13.899 881 HD23 LEU 103 2HD2 LEU 103 -3.145 -6.855 12.407 882 HA PRO 104 HA PRO 104 -9.973 -4.056 12.360 883 HB2 PRO 104 2HB PRO 104 -11.192 -5.549 10.412 884 HB3 PRO 104 1HB PRO 104 -10.988 -3.795 10.270 885 HG2 PRO 104 2HG PRO 104 -9.286 -5.997 9.089 886 HG3 PRO 104 1HG PRO 104 -9.916 -4.536 8.297 887 HD2 PRO 104 2HD PRO 104 -7.362 -4.668 9.214 888 HD3 PRO 104 1HD PRO 104 -8.286 -3.152 9.267 889 H LYS 105 H LYS 105 -10.777 -5.738 13.645 890 HA LYS 105 HA LYS 105 -9.087 -8.017 14.072 891 HB2 LYS 105 2HB LYS 105 -11.722 -7.182 15.338 892 HB3 LYS 105 1HB LYS 105 -10.889 -8.670 15.779 893 HG2 LYS 105 2HG LYS 105 -8.899 -7.279 16.450 894 HG3 LYS 105 1HG LYS 105 -9.870 -5.830 16.153 895 HD2 LYS 105 2HD LYS 105 -11.444 -6.452 17.907 896 HD3 LYS 105 1HD LYS 105 -10.678 -8.030 18.109 897 HE2 LYS 105 2HE LYS 105 -10.029 -6.554 19.931 898 HE3 LYS 105 1HE LYS 105 -8.620 -6.904 18.932 899 HZ1 LYS 105 3HZ LYS 105 -10.242 -4.417 18.868 900 HZ2 LYS 105 1HZ LYS 105 -8.931 -4.754 17.855 901 HZ3 LYS 105 2HZ LYS 105 -8.691 -4.590 19.518 902 H ALA 106 H ALA 106 -9.106 -9.185 12.167 903 HA ALA 106 HA ALA 106 -11.521 -10.474 11.182 904 HB1 ALA 106 3HB ALA 106 -9.701 -9.943 9.611 905 HB2 ALA 106 1HB ALA 106 -10.016 -11.680 9.653 906 HB3 ALA 106 2HB ALA 106 -8.607 -11.017 10.486 907 H ASP 107 H ASP 107 -12.222 -11.319 13.185 908 HA ASP 107 HA ASP 107 -10.508 -12.966 14.832 909 HB2 ASP 107 2HB ASP 107 -12.071 -11.313 15.816 910 HB3 ASP 107 1HB ASP 107 -13.438 -12.174 15.119 911 H LYS 108 H LYS 108 -11.085 -15.137 15.533 912 HA LYS 108 HA LYS 108 -12.344 -16.766 13.402 913 HB2 LYS 108 2HB LYS 108 -9.826 -17.320 15.046 914 HB3 LYS 108 1HB LYS 108 -10.614 -18.520 14.024 915 HG2 LYS 108 2HG LYS 108 -10.133 -17.215 12.030 916 HG3 LYS 108 1HG LYS 108 -9.467 -15.902 13.003 917 HD2 LYS 108 2HD LYS 108 -7.699 -17.310 11.955 918 HD3 LYS 108 1HD LYS 108 -7.598 -17.303 13.716 919 HE2 LYS 108 2HE LYS 108 -7.222 -19.561 12.762 920 HE3 LYS 108 1HE LYS 108 -8.637 -19.523 13.812 921 HZ1 LYS 108 3HZ LYS 108 -9.014 -20.767 11.777 922 HZ2 LYS 108 1HZ LYS 108 -8.704 -19.391 10.851 923 HZ3 LYS 108 2HZ LYS 108 -10.046 -19.437 11.880 924 H GLU 109 H GLU 109 -13.649 -18.454 14.091 925 HA GLU 109 HA GLU 109 -14.556 -18.528 16.824 926 HB2 GLU 109 2HB GLU 109 -15.242 -20.313 14.452 927 HB3 GLU 109 1HB GLU 109 -16.044 -20.362 16.022 928 HG2 GLU 109 2HG GLU 109 -16.773 -17.992 15.679 929 HG3 GLU 109 1HG GLU 109 -16.059 -18.035 14.064 930 H GLU 110 H GLU 110 -13.379 -19.466 18.322 931 HA GLU 110 HA GLU 110 -12.180 -22.097 17.941 932 HB2 GLU 110 2HB GLU 110 -9.986 -21.263 18.917 933 HB3 GLU 110 1HB GLU 110 -10.319 -20.754 17.267 934 HG2 GLU 110 2HG GLU 110 -11.012 -18.525 18.088 935 HG3 GLU 110 1HG GLU 110 -10.692 -19.040 19.743 936 H LEU 111 H LEU 111 -13.791 -22.756 19.299 937 HA LEU 111 HA LEU 111 -14.050 -21.825 22.048 938 HB2 LEU 111 2HB LEU 111 -15.271 -24.257 20.668 939 HB3 LEU 111 1HB LEU 111 -15.705 -23.663 22.269 940 HG LEU 111 HG LEU 111 -16.150 -22.164 19.650 941 HD11 LEU 111 1HD1 LEU 111 -18.527 -22.583 20.008 942 HD12 LEU 111 2HD1 LEU 111 -18.168 -23.530 21.454 943 HD13 LEU 111 3HD1 LEU 111 -17.631 -24.094 19.869 944 HD21 LEU 111 3HD2 LEU 111 -17.437 -20.540 21.000 945 HD22 LEU 111 1HD2 LEU 111 -15.748 -20.599 21.499 946 HD23 LEU 111 2HD2 LEU 111 -16.983 -21.397 22.476 947 H GLU 112 H GLU 112 -13.041 -24.843 20.436 948 HA GLU 112 HA GLU 112 -10.912 -25.245 22.441 949 HB2 GLU 112 2HB GLU 112 -12.764 -27.413 21.342 950 HB3 GLU 112 1HB GLU 112 -11.240 -27.756 22.154 951 HG2 GLU 112 2HG GLU 112 -12.116 -26.658 24.209 952 HG3 GLU 112 1HG GLU 112 -13.655 -26.400 23.388 953 H HIS 113 H HIS 113 -9.461 -24.316 20.990 954 HA HIS 113 HA HIS 113 -8.716 -25.997 18.680 955 HB2 HIS 113 2HB HIS 113 -9.989 -24.053 17.787 956 HB3 HIS 113 1HB HIS 113 -8.894 -22.945 18.610 957 HD1 HIS 113 HD1 HIS 113 -7.361 -21.929 16.932 958 HD2 HIS 113 HD2 HIS 113 -8.180 -25.902 16.038 959 HE1 HIS 113 HE1 HIS 113 -6.018 -22.451 14.871 960 HE2 HIS 113 HE2 HIS 113 -6.603 -24.827 14.307 961 H HIS 114 H HIS 114 -6.605 -26.374 18.558 962 HA HIS 114 HA HIS 114 -4.574 -24.657 19.674 963 HB2 HIS 114 2HB HIS 114 -3.628 -26.377 21.220 964 HB3 HIS 114 1HB HIS 114 -5.208 -25.833 21.742 965 HD1 HIS 114 HD1 HIS 114 -3.656 -28.642 22.327 966 HD2 HIS 114 HD2 HIS 114 -6.995 -28.049 19.929 967 HE1 HIS 114 HE1 HIS 114 -4.818 -30.866 22.234 968 HE2 HIS 114 HE2 HIS 114 -6.942 -30.418 20.966 969 H HIS 115 H HIS 115 -2.911 -24.767 18.283 970 HA HIS 115 HA HIS 115 -2.643 -26.890 16.352 971 HB2 HIS 115 2HB HIS 115 -0.621 -25.706 15.582 972 HB3 HIS 115 1HB HIS 115 -1.965 -24.587 15.748 973 HD1 HIS 115 HD1 HIS 115 -1.774 -22.780 17.637 974 HD2 HIS 115 HD2 HIS 115 1.598 -25.176 17.230 975 HE1 HIS 115 HE1 HIS 115 0.035 -21.626 18.934 976 HE2 HIS 115 HE2 HIS 115 1.998 -23.191 18.831 977 H HIS 116 H HIS 116 -1.159 -25.952 19.384 978 HA HIS 116 HA HIS 116 0.297 -26.820 20.833 979 HB2 HIS 116 2HB HIS 116 -1.556 -28.458 21.041 980 HB3 HIS 116 1HB HIS 116 -0.798 -29.473 19.823 981 HD1 HIS 116 HD1 HIS 116 0.193 -31.457 20.956 982 HD2 HIS 116 HD2 HIS 116 0.597 -28.007 23.238 983 HE1 HIS 116 HE1 HIS 116 1.442 -32.154 23.023 984 HE2 HIS 116 HE2 HIS 116 1.753 -30.033 24.336 985 H HIS 117 H HIS 117 0.963 -29.748 19.011 986 HA HIS 117 HA HIS 117 3.106 -28.762 17.407 987 HB2 HIS 117 2HB HIS 117 3.831 -30.099 20.038 988 HB3 HIS 117 1HB HIS 117 4.862 -30.345 18.636 989 HD1 HIS 117 HD1 HIS 117 4.136 -27.939 21.322 990 HD2 HIS 117 HD2 HIS 117 6.091 -27.892 17.655 991 HE1 HIS 117 HE1 HIS 117 5.553 -25.869 21.346 992 HE2 HIS 117 HE2 HIS 117 6.847 -25.952 19.199 993 H HIS 118 H HIS 118 2.950 -29.995 15.680 994 HA HIS 118 HA HIS 118 2.797 -32.869 15.785 995 HB2 HIS 118 2HB HIS 118 0.704 -33.111 14.461 996 HB3 HIS 118 1HB HIS 118 0.407 -32.426 16.052 997 HD1 HIS 118 HD1 HIS 118 -0.279 -29.901 16.136 998 HD2 HIS 118 HD2 HIS 118 -0.058 -31.495 12.306 999 HE1 HIS 118 HE1 HIS 118 -1.486 -28.271 14.656 1000 HE2 HIS 118 HE2 HIS 118 -1.430 -29.302 12.365 Start of MODEL 20 1 H1 MET 1 1H MET 1 11.798 17.952 -12.509 2 H2 MET 1 2H MET 1 11.597 19.405 -13.348 3 H3 MET 1 3H MET 1 10.907 17.984 -13.942 4 HA MET 1 HA MET 1 10.217 19.320 -11.409 5 HB2 MET 1 2HB MET 1 8.077 19.917 -12.500 6 HB3 MET 1 1HB MET 1 9.442 20.627 -13.345 7 HG2 MET 1 2HG MET 1 9.264 18.902 -15.094 8 HG3 MET 1 1HG MET 1 7.901 18.177 -14.240 9 HE1 MET 1 3HE MET 1 5.202 21.059 -14.540 10 HE2 MET 1 1HE MET 1 6.355 20.853 -13.221 11 HE3 MET 1 2HE MET 1 5.535 19.446 -13.901 12 H GLU 2 H GLU 2 9.047 18.118 -10.016 13 HA GLU 2 HA GLU 2 7.766 15.627 -10.902 14 HB2 GLU 2 2HB GLU 2 8.601 14.458 -8.852 15 HB3 GLU 2 1HB GLU 2 9.866 14.848 -10.011 16 HG2 GLU 2 2HG GLU 2 10.582 16.743 -8.605 17 HG3 GLU 2 1HG GLU 2 9.293 16.390 -7.454 18 HA PRO 3 HA PRO 3 4.800 18.003 -8.280 19 HB2 PRO 3 2HB PRO 3 2.768 18.160 -10.039 20 HB3 PRO 3 1HB PRO 3 4.183 19.209 -10.211 21 HG2 PRO 3 2HG PRO 3 3.485 16.694 -11.700 22 HG3 PRO 3 1HG PRO 3 4.175 18.203 -12.330 23 HD2 PRO 3 2HD PRO 3 5.645 15.907 -11.698 24 HD3 PRO 3 1HD PRO 3 6.323 17.543 -11.835 25 H SER 4 H SER 4 2.075 17.205 -8.599 26 HA SER 4 HA SER 4 2.036 14.642 -7.302 27 HB2 SER 4 2HB SER 4 0.455 16.532 -6.767 28 HB3 SER 4 1HB SER 4 -0.325 16.289 -8.325 29 HG SER 4 HG SER 4 -0.382 14.717 -6.025 30 H LYS 5 H LYS 5 2.266 15.460 -10.560 31 HA LYS 5 HA LYS 5 0.635 13.490 -11.814 32 HB2 LYS 5 2HB LYS 5 3.184 14.768 -12.884 33 HB3 LYS 5 1HB LYS 5 1.980 13.909 -13.840 34 HG2 LYS 5 2HG LYS 5 1.580 16.537 -12.373 35 HG3 LYS 5 1HG LYS 5 1.778 16.335 -14.115 36 HD2 LYS 5 2HD LYS 5 -0.540 15.233 -12.472 37 HD3 LYS 5 1HD LYS 5 -0.585 16.715 -13.429 38 HE2 LYS 5 2HE LYS 5 -0.148 13.915 -14.522 39 HE3 LYS 5 1HE LYS 5 -1.642 14.850 -14.621 40 HZ1 LYS 5 3HZ LYS 5 -0.437 15.001 -16.679 41 HZ2 LYS 5 1HZ LYS 5 0.951 15.555 -15.889 42 HZ3 LYS 5 2HZ LYS 5 -0.439 16.518 -15.934 43 H LEU 6 H LEU 6 0.864 11.520 -10.946 44 HA LEU 6 HA LEU 6 2.978 9.747 -11.334 45 HB2 LEU 6 2HB LEU 6 4.218 11.162 -9.703 46 HB3 LEU 6 1HB LEU 6 2.915 10.978 -8.541 47 HG LEU 6 HG LEU 6 3.421 8.515 -8.417 48 HD11 LEU 6 1HD1 LEU 6 5.837 9.159 -10.125 49 HD12 LEU 6 2HD1 LEU 6 4.446 8.191 -10.616 50 HD13 LEU 6 3HD1 LEU 6 5.504 7.619 -9.329 51 HD21 LEU 6 3HD2 LEU 6 5.750 10.334 -7.733 52 HD22 LEU 6 1HD2 LEU 6 5.447 8.734 -7.044 53 HD23 LEU 6 2HD2 LEU 6 4.316 10.052 -6.745 54 H SER 7 H SER 7 1.696 7.998 -11.506 55 HA SER 7 HA SER 7 -0.661 7.517 -9.934 56 HB2 SER 7 2HB SER 7 0.910 5.496 -11.601 57 HB3 SER 7 1HB SER 7 -0.771 5.364 -11.079 58 HG SER 7 HG SER 7 -0.180 6.176 -13.335 59 H TYR 8 H TYR 8 -0.903 6.058 -8.181 60 HA TYR 8 HA TYR 8 1.231 5.833 -6.360 61 HB2 TYR 8 2HB TYR 8 -1.175 5.792 -5.724 62 HB3 TYR 8 1HB TYR 8 -1.343 4.198 -6.456 63 HD1 TYR 8 HD1 TYR 8 1.354 5.571 -4.216 64 HD2 TYR 8 HD2 TYR 8 -1.796 2.711 -4.633 65 HE1 TYR 8 HE1 TYR 8 1.971 4.566 -2.055 66 HE2 TYR 8 HE2 TYR 8 -1.179 1.724 -2.467 67 HH TYR 8 HH TYR 8 0.919 3.224 -0.272 68 H GLY 9 H GLY 9 0.104 3.656 -8.878 69 HA2 GLY 9 2HA GLY 9 1.519 1.290 -8.117 70 HA3 GLY 9 1HA GLY 9 0.837 1.642 -9.704 71 H GLU 10 H GLU 10 2.297 4.045 -10.210 72 HA GLU 10 HA GLU 10 4.783 3.096 -11.232 73 HB2 GLU 10 2HB GLU 10 3.806 5.957 -10.816 74 HB3 GLU 10 1HB GLU 10 5.205 5.501 -11.785 75 HG2 GLU 10 2HG GLU 10 2.353 4.646 -12.357 76 HG3 GLU 10 1HG GLU 10 3.155 6.019 -13.117 77 H TYR 11 H TYR 11 3.795 4.959 -8.423 78 HA TYR 11 HA TYR 11 6.375 5.450 -7.343 79 HB2 TYR 11 2HB TYR 11 4.509 6.868 -6.674 80 HB3 TYR 11 1HB TYR 11 3.606 5.483 -6.065 81 HD1 TYR 11 HD1 TYR 11 6.972 7.099 -5.567 82 HD2 TYR 11 HD2 TYR 11 3.626 5.164 -3.733 83 HE1 TYR 11 HE1 TYR 11 8.032 7.345 -3.370 84 HE2 TYR 11 HE2 TYR 11 4.687 5.418 -1.536 85 HH TYR 11 HH TYR 11 6.831 5.744 -0.574 86 H LEU 12 H LEU 12 4.098 2.735 -7.085 87 HA LEU 12 HA LEU 12 5.273 1.429 -4.849 88 HB2 LEU 12 2HB LEU 12 3.590 0.343 -7.132 89 HB3 LEU 12 1HB LEU 12 4.135 -0.666 -5.799 90 HG LEU 12 HG LEU 12 2.321 1.758 -5.523 91 HD11 LEU 12 1HD1 LEU 12 1.618 -1.177 -5.320 92 HD12 LEU 12 2HD1 LEU 12 1.184 -0.087 -6.641 93 HD13 LEU 12 3HD1 LEU 12 0.531 0.190 -5.029 94 HD21 LEU 12 3HD2 LEU 12 3.228 -0.217 -3.406 95 HD22 LEU 12 1HD2 LEU 12 2.018 1.052 -3.183 96 HD23 LEU 12 2HD2 LEU 12 3.690 1.483 -3.526 97 H GLU 13 H GLU 13 6.138 1.533 -8.242 98 HA GLU 13 HA GLU 13 8.042 -0.606 -8.216 99 HB2 GLU 13 2HB GLU 13 8.028 1.867 -10.010 100 HB3 GLU 13 1HB GLU 13 8.883 0.355 -10.316 101 HG2 GLU 13 2HG GLU 13 5.876 0.773 -10.276 102 HG3 GLU 13 1HG GLU 13 6.881 0.491 -11.698 103 H SER 14 H SER 14 8.329 2.933 -7.851 104 HA SER 14 HA SER 14 11.142 3.105 -7.567 105 HB2 SER 14 2HB SER 14 9.637 5.009 -8.197 106 HB3 SER 14 1HB SER 14 8.988 5.031 -6.561 107 HG SER 14 HG SER 14 11.206 6.193 -7.522 108 H TRP 15 H TRP 15 8.539 3.074 -5.149 109 HA TRP 15 HA TRP 15 10.049 3.269 -2.800 110 HB2 TRP 15 2HB TRP 15 7.650 3.672 -2.722 111 HB3 TRP 15 1HB TRP 15 7.299 2.045 -3.293 112 HD1 TRP 15 HD1 TRP 15 8.666 3.854 -0.133 113 HE1 TRP 15 HE1 TRP 15 8.164 2.384 1.917 114 HE3 TRP 15 HE3 TRP 15 6.798 -0.286 -2.513 115 HZ2 TRP 15 HZ2 TRP 15 7.144 -0.171 2.466 116 HZ3 TRP 15 HZ3 TRP 15 6.092 -2.209 -1.142 117 HH2 TRP 15 HH2 TRP 15 6.266 -2.148 1.304 118 H PHE 16 H PHE 16 8.788 0.392 -4.530 119 HA PHE 16 HA PHE 16 9.623 -1.549 -2.661 120 HB2 PHE 16 2HB PHE 16 7.887 -2.079 -4.283 121 HB3 PHE 16 1HB PHE 16 8.985 -1.809 -5.634 122 HD1 PHE 16 HD2 PHE 16 8.503 -3.980 -2.615 123 HD2 PHE 16 HD1 PHE 16 10.169 -3.648 -6.542 124 HE1 PHE 16 HE2 PHE 16 9.175 -6.334 -2.544 125 HE2 PHE 16 HE1 PHE 16 10.838 -6.007 -6.456 126 HZ PHE 16 HZ PHE 16 10.341 -7.350 -4.458 127 H ASN 17 H ASN 17 11.201 -0.449 -5.693 128 HA ASN 17 HA ASN 17 13.358 -2.276 -5.662 129 HB2 ASN 17 2HB ASN 17 12.957 0.383 -7.064 130 HB3 ASN 17 1HB ASN 17 14.506 -0.429 -7.166 131 HD21 ASN 17 1HD2 ASN 17 11.413 -0.214 -8.530 132 HD22 ASN 17 2HD2 ASN 17 11.474 -1.619 -9.522 133 H THR 18 H THR 18 13.009 0.949 -4.222 134 HA THR 18 HA THR 18 15.614 1.113 -3.069 135 HB THR 18 HB THR 18 13.025 2.449 -2.120 136 HG1 THR 18 HG1 THR 18 13.231 3.653 -3.848 137 HG21 THR 18 3HG2 THR 18 15.937 3.266 -1.712 138 HG22 THR 18 1HG2 THR 18 14.867 2.629 -0.460 139 HG23 THR 18 2HG2 THR 18 14.526 4.194 -1.200 140 H LYS 19 H LYS 19 12.522 -0.233 -2.002 141 HA LYS 19 HA LYS 19 13.090 -0.486 0.779 142 HB2 LYS 19 2HB LYS 19 10.771 -0.300 -0.294 143 HB3 LYS 19 1HB LYS 19 10.956 -1.960 -0.829 144 HG2 LYS 19 2HG LYS 19 9.575 -1.926 1.149 145 HG3 LYS 19 1HG LYS 19 11.123 -2.683 1.549 146 HD2 LYS 19 2HD LYS 19 11.901 -0.594 2.597 147 HD3 LYS 19 1HD LYS 19 10.401 0.222 2.135 148 HE2 LYS 19 2HE LYS 19 9.127 -1.311 3.599 149 HE3 LYS 19 1HE LYS 19 10.629 -2.133 4.046 150 HZ1 LYS 19 3HZ LYS 19 11.425 -0.031 4.977 151 HZ2 LYS 19 1HZ LYS 19 9.994 -0.545 5.715 152 HZ3 LYS 19 2HZ LYS 19 9.955 0.708 4.584 153 H ARG 20 H ARG 20 13.698 -2.489 -1.998 154 HA ARG 20 HA ARG 20 14.069 -5.011 -0.888 155 HB2 ARG 20 2HB ARG 20 15.504 -3.694 -3.212 156 HB3 ARG 20 1HB ARG 20 15.712 -5.393 -2.798 157 HG2 ARG 20 2HG ARG 20 13.255 -5.722 -3.152 158 HG3 ARG 20 1HG ARG 20 13.150 -4.044 -3.690 159 HD2 ARG 20 2HD ARG 20 13.301 -5.575 -5.609 160 HD3 ARG 20 1HD ARG 20 14.711 -4.509 -5.528 161 HE ARG 20 HE ARG 20 15.033 -7.104 -4.251 162 HH11 ARG 20 1HH1 ARG 20 15.558 -5.269 -7.210 163 HH12 ARG 20 2HH1 ARG 20 16.693 -6.418 -7.841 164 HH21 ARG 20 1HH2 ARG 20 16.555 -8.554 -5.071 165 HH22 ARG 20 2HH2 ARG 20 17.262 -8.274 -6.632 166 H HIS 21 H HIS 21 16.275 -2.238 -0.809 167 HA HIS 21 HA HIS 21 18.552 -3.576 0.301 168 HB2 HIS 21 2HB HIS 21 17.747 -0.632 0.490 169 HB3 HIS 21 1HB HIS 21 19.319 -1.271 0.951 170 HD1 HIS 21 HD1 HIS 21 20.989 -1.798 -0.913 171 HD2 HIS 21 HD2 HIS 21 17.304 -0.461 -2.311 172 HE1 HIS 21 HE1 HIS 21 21.342 -1.273 -3.345 173 HE2 HIS 21 HE2 HIS 21 19.156 -0.282 -4.109 174 H SER 22 H SER 22 15.553 -2.546 1.633 175 HA SER 22 HA SER 22 16.495 -2.509 4.416 176 HB2 SER 22 2HB SER 22 15.104 -0.612 3.556 177 HB3 SER 22 1HB SER 22 13.777 -1.730 3.245 178 HG SER 22 HG SER 22 14.954 -1.188 5.779 179 H VAL 23 H VAL 23 15.020 -4.663 2.175 180 HA VAL 23 HA VAL 23 13.986 -6.410 4.352 181 HB VAL 23 HB VAL 23 12.159 -7.196 2.950 182 HG11 VAL 23 1HG1 VAL 23 11.649 -5.252 4.351 183 HG12 VAL 23 2HG1 VAL 23 10.718 -5.175 2.855 184 HG13 VAL 23 3HG1 VAL 23 12.145 -4.155 3.055 185 HG21 VAL 23 3HG2 VAL 23 11.600 -6.200 0.729 186 HG22 VAL 23 1HG2 VAL 23 13.162 -7.021 0.713 187 HG23 VAL 23 2HG2 VAL 23 13.095 -5.261 0.790 188 H GLY 24 H GLY 24 13.853 -8.741 3.716 189 HA2 GLY 24 2HA GLY 24 16.235 -9.714 2.437 190 HA3 GLY 24 1HA GLY 24 14.925 -10.680 3.093 191 H ILE 25 H ILE 25 16.063 -11.566 0.841 192 HA ILE 25 HA ILE 25 14.978 -10.710 -1.614 193 HB ILE 25 HB ILE 25 15.930 -13.520 -0.890 194 HG12 ILE 25 2HG1 ILE 25 17.703 -11.843 -0.484 195 HG13 ILE 25 1HG1 ILE 25 18.123 -12.866 -1.854 196 HG21 ILE 25 1HG2 ILE 25 16.303 -13.852 -3.327 197 HG22 ILE 25 2HG2 ILE 25 15.572 -12.280 -3.652 198 HG23 ILE 25 3HG2 ILE 25 14.598 -13.574 -2.954 199 HD11 ILE 25 3HD1 ILE 25 18.717 -10.559 -2.258 200 HD12 ILE 25 1HD1 ILE 25 17.048 -10.047 -2.006 201 HD13 ILE 25 2HD1 ILE 25 17.464 -11.073 -3.383 202 H GLN 26 H GLN 26 13.974 -13.412 0.517 203 HA GLN 26 HA GLN 26 11.647 -14.107 -0.964 204 HB2 GLN 26 2HB GLN 26 10.917 -15.408 1.003 205 HB3 GLN 26 1HB GLN 26 12.590 -15.734 0.579 206 HG2 GLN 26 2HG GLN 26 13.406 -14.500 2.470 207 HG3 GLN 26 1HG GLN 26 11.810 -13.832 2.804 208 HE21 GLN 26 1HE2 GLN 26 12.341 -17.241 2.002 209 HE22 GLN 26 2HE2 GLN 26 11.950 -17.855 3.563 210 H THR 27 H THR 27 12.206 -11.954 1.758 211 HA THR 27 HA THR 27 9.587 -11.240 2.425 212 HB THR 27 HB THR 27 11.966 -9.325 2.546 213 HG1 THR 27 HG1 THR 27 11.289 -11.248 4.527 214 HG21 THR 27 3HG2 THR 27 10.840 -8.494 4.589 215 HG22 THR 27 1HG2 THR 27 9.519 -9.641 4.342 216 HG23 THR 27 2HG2 THR 27 9.786 -8.331 3.184 217 H ALA 28 H ALA 28 11.815 -9.868 0.026 218 HA ALA 28 HA ALA 28 10.220 -7.676 -0.845 219 HB1 ALA 28 3HB ALA 28 12.668 -7.787 -1.242 220 HB2 ALA 28 1HB ALA 28 11.796 -7.566 -2.764 221 HB3 ALA 28 2HB ALA 28 12.437 -9.154 -2.330 222 H LYS 29 H LYS 29 10.669 -10.993 -1.982 223 HA LYS 29 HA LYS 29 9.074 -10.965 -4.300 224 HB2 LYS 29 2HB LYS 29 10.751 -12.731 -3.613 225 HB3 LYS 29 1HB LYS 29 9.604 -13.319 -2.426 226 HG2 LYS 29 2HG LYS 29 9.002 -13.288 -5.405 227 HG3 LYS 29 1HG LYS 29 9.835 -14.631 -4.629 228 HD2 LYS 29 2HD LYS 29 7.002 -13.673 -4.054 229 HD3 LYS 29 1HD LYS 29 7.459 -15.146 -4.909 230 HE2 LYS 29 2HE LYS 29 8.436 -16.054 -2.838 231 HE3 LYS 29 1HE LYS 29 8.063 -14.552 -1.986 232 HZ1 LYS 29 3HZ LYS 29 5.714 -14.957 -2.411 233 HZ2 LYS 29 1HZ LYS 29 6.418 -16.221 -1.533 234 HZ3 LYS 29 2HZ LYS 29 6.091 -16.418 -3.180 235 H VAL 30 H VAL 30 8.294 -11.552 -0.908 236 HA VAL 30 HA VAL 30 5.576 -12.384 -1.298 237 HB VAL 30 HB VAL 30 7.087 -11.516 1.216 238 HG11 VAL 30 1HG1 VAL 30 4.298 -12.723 1.016 239 HG12 VAL 30 2HG1 VAL 30 4.704 -11.105 1.593 240 HG13 VAL 30 3HG1 VAL 30 5.206 -12.523 2.514 241 HG21 VAL 30 3HG2 VAL 30 7.146 -13.923 1.752 242 HG22 VAL 30 1HG2 VAL 30 7.887 -13.631 0.179 243 HG23 VAL 30 2HG2 VAL 30 6.258 -14.295 0.272 244 H LEU 31 H LEU 31 7.160 -9.317 -0.401 245 HA LEU 31 HA LEU 31 4.822 -7.788 0.115 246 HB2 LEU 31 2HB LEU 31 7.604 -6.872 -0.715 247 HB3 LEU 31 1HB LEU 31 6.315 -5.770 -0.252 248 HG LEU 31 HG LEU 31 7.682 -7.815 1.543 249 HD11 LEU 31 1HD1 LEU 31 8.468 -5.864 2.804 250 HD12 LEU 31 2HD1 LEU 31 7.702 -4.782 1.638 251 HD13 LEU 31 3HD1 LEU 31 9.037 -5.824 1.134 252 HD21 LEU 31 3HD2 LEU 31 5.373 -5.962 2.227 253 HD22 LEU 31 1HD2 LEU 31 6.274 -6.965 3.371 254 HD23 LEU 31 2HD2 LEU 31 5.308 -7.723 2.114 255 H LYS 32 H LYS 32 6.721 -8.354 -2.821 256 HA LYS 32 HA LYS 32 5.210 -6.546 -4.483 257 HB2 LYS 32 2HB LYS 32 7.628 -7.311 -4.886 258 HB3 LYS 32 1HB LYS 32 6.977 -8.854 -5.420 259 HG2 LYS 32 2HG LYS 32 5.746 -7.708 -7.234 260 HG3 LYS 32 1HG LYS 32 6.385 -6.156 -6.679 261 HD2 LYS 32 2HD LYS 32 8.707 -7.031 -7.134 262 HD3 LYS 32 1HD LYS 32 7.973 -8.483 -7.828 263 HE2 LYS 32 2HE LYS 32 6.879 -7.122 -9.553 264 HE3 LYS 32 1HE LYS 32 7.532 -5.643 -8.838 265 HZ1 LYS 32 3HZ LYS 32 9.110 -7.858 -10.023 266 HZ2 LYS 32 1HZ LYS 32 9.759 -6.466 -9.313 267 HZ3 LYS 32 2HZ LYS 32 8.832 -6.344 -10.724 268 H GLY 33 H GLY 33 5.063 -9.943 -3.612 269 HA2 GLY 33 2HA GLY 33 3.082 -10.861 -5.414 270 HA3 GLY 33 1HA GLY 33 3.409 -11.520 -3.812 271 H TYR 34 H TYR 34 2.931 -9.049 -2.412 272 HA TYR 34 HA TYR 34 0.058 -9.072 -2.166 273 HB2 TYR 34 2HB TYR 34 2.208 -7.407 -0.789 274 HB3 TYR 34 1HB TYR 34 0.493 -7.311 -0.397 275 HD1 TYR 34 HD2 TYR 34 0.041 -10.421 -0.709 276 HD2 TYR 34 HD1 TYR 34 2.865 -8.052 1.470 277 HE1 TYR 34 HE2 TYR 34 0.265 -12.208 0.955 278 HE2 TYR 34 HE1 TYR 34 3.067 -9.843 3.137 279 HH TYR 34 HH TYR 34 1.936 -12.971 2.622 280 H LEU 35 H LEU 35 2.531 -6.858 -3.465 281 HA LEU 35 HA LEU 35 0.862 -4.588 -3.800 282 HB2 LEU 35 2HB LEU 35 3.475 -5.370 -5.141 283 HB3 LEU 35 1HB LEU 35 2.666 -3.844 -5.480 284 HG LEU 35 HG LEU 35 3.730 -4.712 -2.755 285 HD11 LEU 35 1HD1 LEU 35 5.435 -2.991 -3.041 286 HD12 LEU 35 2HD1 LEU 35 4.821 -2.611 -4.652 287 HD13 LEU 35 3HD1 LEU 35 5.540 -4.191 -4.330 288 HD21 LEU 35 3HD2 LEU 35 3.196 -2.406 -2.032 289 HD22 LEU 35 1HD2 LEU 35 1.754 -3.310 -2.497 290 HD23 LEU 35 2HD2 LEU 35 2.424 -2.098 -3.590 291 H ASN 36 H ASN 36 1.978 -7.027 -6.152 292 HA ASN 36 HA ASN 36 0.598 -5.965 -8.383 293 HB2 ASN 36 2HB ASN 36 1.707 -8.771 -7.929 294 HB3 ASN 36 1HB ASN 36 1.180 -8.148 -9.493 295 HD21 ASN 36 1HD2 ASN 36 3.808 -9.105 -8.811 296 HD22 ASN 36 2HD2 ASN 36 4.901 -7.794 -9.050 297 H SER 37 H SER 37 -0.360 -8.327 -5.940 298 HA SER 37 HA SER 37 -2.699 -9.268 -7.366 299 HB2 SER 37 2HB SER 37 -1.510 -10.815 -5.900 300 HB3 SER 37 1HB SER 37 -1.727 -9.739 -4.522 301 HG SER 37 HG SER 37 -3.282 -11.296 -4.379 302 H ARG 38 H ARG 38 -2.133 -7.277 -4.440 303 HA ARG 38 HA ARG 38 -5.015 -6.733 -4.186 304 HB2 ARG 38 2HB ARG 38 -2.755 -6.316 -2.197 305 HB3 ARG 38 1HB ARG 38 -4.445 -5.940 -1.886 306 HG2 ARG 38 2HG ARG 38 -3.320 -8.709 -2.426 307 HG3 ARG 38 1HG ARG 38 -3.751 -8.063 -0.842 308 HD2 ARG 38 2HD ARG 38 -5.577 -9.431 -1.438 309 HD3 ARG 38 1HD ARG 38 -6.149 -7.803 -1.793 310 HE ARG 38 HE ARG 38 -5.034 -9.512 -3.930 311 HH11 ARG 38 1HH1 ARG 38 -7.775 -7.714 -2.662 312 HH12 ARG 38 2HH1 ARG 38 -8.739 -7.954 -4.077 313 HH21 ARG 38 1HH2 ARG 38 -6.329 -9.801 -5.775 314 HH22 ARG 38 2HH2 ARG 38 -7.929 -9.136 -5.822 315 H ILE 39 H ILE 39 -1.946 -4.852 -3.778 316 HA ILE 39 HA ILE 39 -3.430 -2.464 -3.312 317 HB ILE 39 HB ILE 39 -0.419 -2.771 -3.719 318 HG12 ILE 39 2HG1 ILE 39 -0.478 -2.260 -1.121 319 HG13 ILE 39 1HG1 ILE 39 -2.161 -2.749 -1.217 320 HG21 ILE 39 1HG2 ILE 39 -1.115 -0.472 -4.220 321 HG22 ILE 39 2HG2 ILE 39 -0.225 -0.515 -2.701 322 HG23 ILE 39 3HG2 ILE 39 -1.986 -0.374 -2.688 323 HD11 ILE 39 3HD1 ILE 39 -0.765 -4.521 -0.402 324 HD12 ILE 39 1HD1 ILE 39 0.240 -4.444 -1.850 325 HD13 ILE 39 2HD1 ILE 39 -1.440 -4.969 -1.967 326 H ILE 40 H ILE 40 -1.611 -3.604 -6.183 327 HA ILE 40 HA ILE 40 -1.702 -1.117 -7.557 328 HB ILE 40 HB ILE 40 -1.136 -3.890 -8.668 329 HG12 ILE 40 2HG1 ILE 40 0.702 -1.564 -7.929 330 HG13 ILE 40 1HG1 ILE 40 0.559 -3.092 -7.070 331 HG21 ILE 40 1HG2 ILE 40 -0.818 -1.230 -10.120 332 HG22 ILE 40 2HG2 ILE 40 -1.999 -2.487 -10.498 333 HG23 ILE 40 3HG2 ILE 40 -0.280 -2.801 -10.716 334 HD11 ILE 40 3HD1 ILE 40 2.592 -3.011 -8.367 335 HD12 ILE 40 1HD1 ILE 40 1.682 -2.712 -9.846 336 HD13 ILE 40 2HD1 ILE 40 1.523 -4.258 -9.008 337 HA PRO 41 HA PRO 41 -5.552 -2.976 -10.054 338 HB2 PRO 41 2HB PRO 41 -6.630 -4.953 -8.056 339 HB3 PRO 41 1HB PRO 41 -6.585 -5.044 -9.826 340 HG2 PRO 41 2HG PRO 41 -4.900 -6.507 -8.377 341 HG3 PRO 41 1HG PRO 41 -4.328 -5.713 -9.861 342 HD2 PRO 41 2HD PRO 41 -3.964 -4.843 -6.985 343 HD3 PRO 41 1HD PRO 41 -2.764 -4.895 -8.298 344 H SER 42 H SER 42 -5.450 -2.595 -6.569 345 HA SER 42 HA SER 42 -8.158 -1.546 -6.338 346 HB2 SER 42 2HB SER 42 -7.240 -3.034 -4.587 347 HB3 SER 42 1HB SER 42 -5.945 -1.884 -4.265 348 HG SER 42 HG SER 42 -7.993 -0.431 -3.932 349 H LEU 43 H LEU 43 -5.028 -0.258 -5.174 350 HA LEU 43 HA LEU 43 -6.030 2.504 -5.446 351 HB2 LEU 43 2HB LEU 43 -3.855 1.439 -3.592 352 HB3 LEU 43 1HB LEU 43 -4.565 3.049 -3.559 353 HG LEU 43 HG LEU 43 -5.981 0.443 -2.843 354 HD11 LEU 43 1HD1 LEU 43 -4.399 1.136 -1.127 355 HD12 LEU 43 2HD1 LEU 43 -6.053 1.323 -0.555 356 HD13 LEU 43 3HD1 LEU 43 -5.128 2.743 -1.058 357 HD21 LEU 43 3HD2 LEU 43 -7.084 3.275 -2.802 358 HD22 LEU 43 1HD2 LEU 43 -7.903 1.839 -2.178 359 HD23 LEU 43 2HD2 LEU 43 -7.561 1.976 -3.899 360 H GLY 44 H GLY 44 -3.676 0.387 -6.737 361 HA2 GLY 44 2HA GLY 44 -1.495 2.257 -7.070 362 HA3 GLY 44 1HA GLY 44 -1.618 0.640 -7.755 363 H ASN 45 H ASN 45 -4.092 0.949 -9.149 364 HA ASN 45 HA ASN 45 -3.341 2.301 -11.535 365 HB2 ASN 45 2HB ASN 45 -6.076 1.283 -10.647 366 HB3 ASN 45 1HB ASN 45 -5.666 1.765 -12.289 367 HD21 ASN 45 1HD2 ASN 45 -2.979 0.511 -12.183 368 HD22 ASN 45 2HD2 ASN 45 -3.268 -1.184 -12.287 369 H ILE 46 H ILE 46 -4.832 3.352 -8.635 370 HA ILE 46 HA ILE 46 -5.915 5.853 -9.693 371 HB ILE 46 HB ILE 46 -5.543 4.895 -6.807 372 HG12 ILE 46 2HG1 ILE 46 -8.057 4.738 -8.539 373 HG13 ILE 46 1HG1 ILE 46 -7.031 3.371 -8.126 374 HG21 ILE 46 1HG2 ILE 46 -5.791 7.344 -6.961 375 HG22 ILE 46 2HG2 ILE 46 -7.189 6.603 -6.184 376 HG23 ILE 46 3HG2 ILE 46 -7.298 7.143 -7.860 377 HD11 ILE 46 3HD1 ILE 46 -7.610 3.671 -5.753 378 HD12 ILE 46 1HD1 ILE 46 -9.019 3.378 -6.773 379 HD13 ILE 46 2HD1 ILE 46 -8.676 5.007 -6.201 380 H LYS 47 H LYS 47 -4.957 7.901 -9.290 381 HA LYS 47 HA LYS 47 -2.127 8.085 -9.154 382 HB2 LYS 47 2HB LYS 47 -4.239 10.243 -8.806 383 HB3 LYS 47 1HB LYS 47 -2.518 10.560 -8.975 384 HG2 LYS 47 2HG LYS 47 -4.283 9.249 -11.064 385 HG3 LYS 47 1HG LYS 47 -3.783 10.948 -11.061 386 HD2 LYS 47 2HD LYS 47 -1.379 10.144 -11.204 387 HD3 LYS 47 1HD LYS 47 -1.999 8.496 -11.385 388 HE2 LYS 47 2HE LYS 47 -3.232 9.249 -13.433 389 HE3 LYS 47 1HE LYS 47 -2.465 10.833 -13.270 390 HZ1 LYS 47 3HZ LYS 47 -1.294 9.453 -14.834 391 HZ2 LYS 47 1HZ LYS 47 -1.068 8.252 -13.664 392 HZ3 LYS 47 2HZ LYS 47 -0.312 9.754 -13.489 393 H LEU 48 H LEU 48 -0.855 9.122 -7.538 394 HA LEU 48 HA LEU 48 -0.945 7.832 -5.092 395 HB2 LEU 48 2HB LEU 48 1.096 8.641 -6.149 396 HB3 LEU 48 1HB LEU 48 0.572 10.301 -5.986 397 HG LEU 48 HG LEU 48 0.794 10.125 -3.503 398 HD11 LEU 48 1HD1 LEU 48 0.447 7.723 -3.226 399 HD12 LEU 48 2HD1 LEU 48 1.969 8.228 -2.499 400 HD13 LEU 48 3HD1 LEU 48 1.972 7.388 -4.053 401 HD21 LEU 48 3HD2 LEU 48 2.642 11.041 -4.833 402 HD22 LEU 48 1HD2 LEU 48 3.324 9.423 -5.028 403 HD23 LEU 48 2HD2 LEU 48 3.246 10.166 -3.430 404 H ALA 49 H ALA 49 -1.669 11.270 -5.731 405 HA ALA 49 HA ALA 49 -2.234 11.949 -2.991 406 HB1 ALA 49 3HB ALA 49 -1.304 13.608 -4.574 407 HB2 ALA 49 1HB ALA 49 -2.816 14.173 -3.863 408 HB3 ALA 49 2HB ALA 49 -2.795 13.547 -5.515 409 H LYS 50 H LYS 50 -4.109 10.612 -5.567 410 HA LYS 50 HA LYS 50 -6.692 11.635 -4.750 411 HB2 LYS 50 2HB LYS 50 -6.053 9.329 -6.637 412 HB3 LYS 50 1HB LYS 50 -7.617 10.135 -6.466 413 HG2 LYS 50 2HG LYS 50 -5.044 11.365 -7.507 414 HG3 LYS 50 1HG LYS 50 -6.450 10.900 -8.468 415 HD2 LYS 50 2HD LYS 50 -7.803 12.637 -7.404 416 HD3 LYS 50 1HD LYS 50 -6.478 13.049 -6.310 417 HE2 LYS 50 2HE LYS 50 -5.112 13.789 -8.230 418 HE3 LYS 50 1HE LYS 50 -6.418 13.342 -9.330 419 HZ1 LYS 50 3HZ LYS 50 -6.561 15.422 -7.230 420 HZ2 LYS 50 1HZ LYS 50 -7.830 14.977 -8.257 421 HZ3 LYS 50 2HZ LYS 50 -6.435 15.684 -8.896 422 H LEU 51 H LEU 51 -4.676 9.088 -3.659 423 HA LEU 51 HA LEU 51 -6.611 7.360 -2.508 424 HB2 LEU 51 2HB LEU 51 -3.699 7.918 -1.928 425 HB3 LEU 51 1HB LEU 51 -4.632 7.015 -0.749 426 HG LEU 51 HG LEU 51 -5.160 5.316 -2.516 427 HD11 LEU 51 1HD1 LEU 51 -4.894 6.663 -4.526 428 HD12 LEU 51 2HD1 LEU 51 -3.843 5.249 -4.588 429 HD13 LEU 51 3HD1 LEU 51 -3.162 6.836 -4.212 430 HD21 LEU 51 3HD2 LEU 51 -2.970 4.219 -2.445 431 HD22 LEU 51 1HD2 LEU 51 -3.361 4.950 -0.886 432 HD23 LEU 51 2HD2 LEU 51 -2.206 5.737 -1.967 433 H THR 52 H THR 52 -8.246 8.497 -1.563 434 HA THR 52 HA THR 52 -7.731 10.255 0.731 435 HB THR 52 HB THR 52 -9.457 10.940 -0.917 436 HG1 THR 52 HG1 THR 52 -9.763 11.627 1.215 437 HG21 THR 52 3HG2 THR 52 -10.972 8.465 -0.029 438 HG22 THR 52 1HG2 THR 52 -10.283 8.743 -1.632 439 HG23 THR 52 2HG2 THR 52 -11.614 9.749 -1.056 440 H SER 53 H SER 53 -9.400 9.782 2.638 441 HA SER 53 HA SER 53 -8.540 7.419 3.931 442 HB2 SER 53 2HB SER 53 -9.240 9.509 5.108 443 HB3 SER 53 1HB SER 53 -10.914 9.191 4.649 444 HG SER 53 HG SER 53 -10.498 7.075 5.795 445 H LEU 54 H LEU 54 -11.437 8.152 2.091 446 HA LEU 54 HA LEU 54 -13.041 5.911 2.582 447 HB2 LEU 54 2HB LEU 54 -13.873 7.832 1.318 448 HB3 LEU 54 1HB LEU 54 -12.683 7.571 0.058 449 HG LEU 54 HG LEU 54 -13.813 5.413 -0.538 450 HD11 LEU 54 1HD1 LEU 54 -16.037 4.891 0.293 451 HD12 LEU 54 2HD1 LEU 54 -15.971 6.255 1.413 452 HD13 LEU 54 3HD1 LEU 54 -14.859 4.894 1.604 453 HD21 LEU 54 3HD2 LEU 54 -14.286 7.432 -1.824 454 HD22 LEU 54 1HD2 LEU 54 -15.583 7.871 -0.708 455 HD23 LEU 54 2HD2 LEU 54 -15.725 6.421 -1.706 456 H HIS 55 H HIS 55 -10.287 6.344 0.382 457 HA HIS 55 HA HIS 55 -10.475 3.904 -1.067 458 HB2 HIS 55 2HB HIS 55 -8.133 5.787 -0.601 459 HB3 HIS 55 1HB HIS 55 -7.985 4.336 -1.585 460 HD1 HIS 55 HD1 HIS 55 -7.411 5.943 -3.562 461 HD2 HIS 55 HD2 HIS 55 -11.277 6.281 -2.089 462 HE1 HIS 55 HE1 HIS 55 -8.698 7.164 -5.326 463 HE2 HIS 55 HE2 HIS 55 -11.076 7.136 -4.515 464 H MET 56 H MET 56 -8.956 4.740 1.974 465 HA MET 56 HA MET 56 -7.454 2.358 2.398 466 HB2 MET 56 2HB MET 56 -8.718 4.225 4.454 467 HB3 MET 56 1HB MET 56 -7.458 3.039 4.785 468 HG2 MET 56 2HG MET 56 -7.109 5.391 2.914 469 HG3 MET 56 1HG MET 56 -6.677 5.415 4.622 470 HE1 MET 56 3HE MET 56 -4.188 3.682 1.204 471 HE2 MET 56 1HE MET 56 -5.286 5.063 1.170 472 HE3 MET 56 2HE MET 56 -5.931 3.420 1.203 473 H GLN 57 H GLN 57 -10.762 3.362 3.229 474 HA GLN 57 HA GLN 57 -11.476 0.999 4.654 475 HB2 GLN 57 2HB GLN 57 -12.654 3.184 4.962 476 HB3 GLN 57 1HB GLN 57 -13.323 3.042 3.339 477 HG2 GLN 57 2HG GLN 57 -14.953 2.407 5.079 478 HG3 GLN 57 1HG GLN 57 -14.607 1.075 3.984 479 HE21 GLN 57 1HE2 GLN 57 -13.435 -0.728 4.773 480 HE22 GLN 57 2HE2 GLN 57 -13.232 -1.023 6.460 481 H ASN 58 H ASN 58 -12.027 2.070 1.296 482 HA ASN 58 HA ASN 58 -13.579 -0.008 0.279 483 HB2 ASN 58 2HB ASN 58 -11.414 1.616 -1.142 484 HB3 ASN 58 1HB ASN 58 -12.564 0.569 -1.970 485 HD21 ASN 58 1HD2 ASN 58 -12.087 3.496 -2.107 486 HD22 ASN 58 2HD2 ASN 58 -13.637 4.206 -1.861 487 H TYR 59 H TYR 59 -10.085 0.322 0.635 488 HA TYR 59 HA TYR 59 -9.272 -2.063 -0.633 489 HB2 TYR 59 2HB TYR 59 -7.748 -0.142 -0.153 490 HB3 TYR 59 1HB TYR 59 -7.860 -0.494 1.569 491 HD1 TYR 59 HD2 TYR 59 -6.871 -2.110 -1.678 492 HD2 TYR 59 HD1 TYR 59 -6.227 -1.917 2.543 493 HE1 TYR 59 HE2 TYR 59 -4.982 -3.665 -1.895 494 HE2 TYR 59 HE1 TYR 59 -4.338 -3.475 2.325 495 HH TYR 59 HH TYR 59 -3.514 -5.149 0.809 496 H VAL 60 H VAL 60 -9.780 -1.298 2.842 497 HA VAL 60 HA VAL 60 -9.142 -3.837 3.916 498 HB VAL 60 HB VAL 60 -10.904 -1.624 5.077 499 HG11 VAL 60 1HG1 VAL 60 -11.455 -3.746 6.213 500 HG12 VAL 60 2HG1 VAL 60 -10.546 -2.691 7.298 501 HG13 VAL 60 3HG1 VAL 60 -9.743 -4.051 6.509 502 HG21 VAL 60 3HG2 VAL 60 -8.905 -1.027 6.392 503 HG22 VAL 60 1HG2 VAL 60 -8.561 -0.947 4.663 504 HG23 VAL 60 2HG2 VAL 60 -7.986 -2.317 5.615 505 H ASN 61 H ASN 61 -12.203 -2.503 2.761 506 HA ASN 61 HA ASN 61 -13.970 -4.547 3.640 507 HB2 ASN 61 2HB ASN 61 -14.198 -2.536 1.362 508 HB3 ASN 61 1HB ASN 61 -15.508 -3.626 1.808 509 HD21 ASN 61 1HD2 ASN 61 -15.334 -0.693 1.843 510 HD22 ASN 61 2HD2 ASN 61 -15.751 -0.226 3.448 511 H SER 62 H SER 62 -12.087 -4.050 0.689 512 HA SER 62 HA SER 62 -13.050 -6.278 -0.790 513 HB2 SER 62 2HB SER 62 -10.411 -4.767 -1.014 514 HB3 SER 62 1HB SER 62 -11.013 -5.923 -2.206 515 HG SER 62 HG SER 62 -12.654 -3.788 -1.419 516 H LEU 63 H LEU 63 -10.345 -5.888 1.517 517 HA LEU 63 HA LEU 63 -9.052 -8.387 1.066 518 HB2 LEU 63 2HB LEU 63 -9.127 -6.861 3.697 519 HB3 LEU 63 1HB LEU 63 -7.886 -7.991 3.165 520 HG LEU 63 HG LEU 63 -8.432 -5.232 2.041 521 HD11 LEU 63 1HD1 LEU 63 -7.355 -5.161 4.207 522 HD12 LEU 63 2HD1 LEU 63 -6.248 -4.631 2.951 523 HD13 LEU 63 3HD1 LEU 63 -6.076 -6.242 3.647 524 HD21 LEU 63 3HD2 LEU 63 -7.760 -6.669 0.207 525 HD22 LEU 63 1HD2 LEU 63 -6.364 -7.255 1.116 526 HD23 LEU 63 2HD2 LEU 63 -6.448 -5.568 0.602 527 H ARG 64 H ARG 64 -11.554 -7.344 3.298 528 HA ARG 64 HA ARG 64 -11.887 -9.771 4.751 529 HB2 ARG 64 2HB ARG 64 -12.565 -7.486 5.551 530 HB3 ARG 64 1HB ARG 64 -13.836 -7.462 4.334 531 HG2 ARG 64 2HG ARG 64 -14.930 -9.385 5.426 532 HG3 ARG 64 1HG ARG 64 -13.645 -9.434 6.634 533 HD2 ARG 64 2HD ARG 64 -14.307 -7.200 7.439 534 HD3 ARG 64 1HD ARG 64 -15.566 -7.121 6.196 535 HE ARG 64 HE ARG 64 -15.701 -9.378 8.046 536 HH11 ARG 64 1HH1 ARG 64 -16.922 -6.169 7.251 537 HH12 ARG 64 2HH1 ARG 64 -18.312 -6.327 8.269 538 HH21 ARG 64 1HH2 ARG 64 -17.547 -9.578 9.332 539 HH22 ARG 64 2HH2 ARG 64 -18.684 -8.272 9.422 540 H ASP 65 H ASP 65 -13.285 -8.425 1.812 541 HA ASP 65 HA ASP 65 -15.340 -10.399 1.443 542 HB2 ASP 65 2HB ASP 65 -15.482 -8.074 0.522 543 HB3 ASP 65 1HB ASP 65 -14.150 -8.436 -0.569 544 H GLU 66 H GLU 66 -11.981 -10.065 0.435 545 HA GLU 66 HA GLU 66 -11.847 -12.290 -1.367 546 HB2 GLU 66 2HB GLU 66 -9.684 -10.915 0.296 547 HB3 GLU 66 1HB GLU 66 -9.348 -12.182 -0.879 548 HG2 GLU 66 2HG GLU 66 -10.556 -9.475 -1.513 549 HG3 GLU 66 1HG GLU 66 -8.862 -9.910 -1.723 550 H GLY 67 H GLY 67 -11.985 -11.942 2.065 551 HA2 GLY 67 2HA GLY 67 -12.167 -13.514 3.740 552 HA3 GLY 67 1HA GLY 67 -11.938 -14.790 2.552 553 H LEU 68 H LEU 68 -9.655 -12.168 2.746 554 HA LEU 68 HA LEU 68 -7.426 -13.813 3.357 555 HB2 LEU 68 2HB LEU 68 -7.682 -10.783 3.545 556 HB3 LEU 68 1HB LEU 68 -6.168 -11.672 3.614 557 HG LEU 68 HG LEU 68 -8.013 -11.481 1.200 558 HD11 LEU 68 1HD1 LEU 68 -6.825 -9.395 1.643 559 HD12 LEU 68 2HD1 LEU 68 -6.227 -10.159 0.173 560 HD13 LEU 68 3HD1 LEU 68 -5.280 -10.251 1.662 561 HD21 LEU 68 3HD2 LEU 68 -5.340 -12.911 1.448 562 HD22 LEU 68 1HD2 LEU 68 -6.251 -12.681 -0.050 563 HD23 LEU 68 2HD2 LEU 68 -6.919 -13.673 1.242 564 H LYS 69 H LYS 69 -6.257 -14.018 5.245 565 HA LYS 69 HA LYS 69 -7.775 -13.946 7.704 566 HB2 LYS 69 2HB LYS 69 -5.765 -15.078 8.671 567 HB3 LYS 69 1HB LYS 69 -6.395 -15.885 7.239 568 HG2 LYS 69 2HG LYS 69 -4.607 -14.673 5.898 569 HG3 LYS 69 1HG LYS 69 -3.909 -14.162 7.438 570 HD2 LYS 69 2HD LYS 69 -4.315 -17.044 6.541 571 HD3 LYS 69 1HD LYS 69 -2.784 -16.164 6.505 572 HE2 LYS 69 2HE LYS 69 -2.797 -15.978 8.947 573 HE3 LYS 69 1HE LYS 69 -4.375 -16.764 9.026 574 HZ1 LYS 69 3HZ LYS 69 -2.689 -18.343 9.515 575 HZ2 LYS 69 1HZ LYS 69 -1.835 -17.968 8.105 576 HZ3 LYS 69 2HZ LYS 69 -3.341 -18.729 8.002 577 H ARG 70 H ARG 70 -6.944 -13.026 9.702 578 HA ARG 70 HA ARG 70 -6.617 -10.291 9.653 579 HB2 ARG 70 2HB ARG 70 -6.146 -10.432 12.065 580 HB3 ARG 70 1HB ARG 70 -7.413 -11.568 11.601 581 HG2 ARG 70 2HG ARG 70 -5.639 -13.381 11.556 582 HG3 ARG 70 1HG ARG 70 -4.519 -12.207 12.252 583 HD2 ARG 70 2HD ARG 70 -5.392 -13.568 14.043 584 HD3 ARG 70 1HD ARG 70 -6.098 -11.954 14.199 585 HE ARG 70 HE ARG 70 -8.170 -12.810 13.396 586 HH11 ARG 70 1HH1 ARG 70 -5.818 -15.381 13.895 587 HH12 ARG 70 2HH1 ARG 70 -7.029 -16.621 13.956 588 HH21 ARG 70 1HH2 ARG 70 -9.727 -14.448 13.464 589 HH22 ARG 70 2HH2 ARG 70 -9.239 -16.095 13.718 590 H GLY 71 H GLY 71 -4.035 -12.719 9.811 591 HA2 GLY 71 2HA GLY 71 -1.831 -11.030 10.233 592 HA3 GLY 71 1HA GLY 71 -1.785 -12.610 9.457 593 H THR 72 H THR 72 -3.112 -12.348 7.160 594 HA THR 72 HA THR 72 -1.345 -11.103 5.381 595 HB THR 72 HB THR 72 -4.257 -11.861 4.801 596 HG1 THR 72 HG1 THR 72 -1.901 -13.378 5.077 597 HG21 THR 72 3HG2 THR 72 -1.859 -11.617 2.921 598 HG22 THR 72 1HG2 THR 72 -3.222 -10.499 2.993 599 HG23 THR 72 2HG2 THR 72 -3.477 -12.162 2.467 600 H ILE 73 H ILE 73 -4.561 -10.076 6.500 601 HA ILE 73 HA ILE 73 -4.811 -7.690 5.044 602 HB ILE 73 HB ILE 73 -6.035 -8.418 7.745 603 HG12 ILE 73 2HG1 ILE 73 -7.180 -8.617 4.921 604 HG13 ILE 73 1HG1 ILE 73 -6.674 -9.974 5.921 605 HG21 ILE 73 1HG2 ILE 73 -6.861 -6.160 5.878 606 HG22 ILE 73 2HG2 ILE 73 -6.086 -5.971 7.450 607 HG23 ILE 73 3HG2 ILE 73 -7.710 -6.645 7.346 608 HD11 ILE 73 3HD1 ILE 73 -8.986 -8.110 6.464 609 HD12 ILE 73 1HD1 ILE 73 -8.473 -9.426 7.523 610 HD13 ILE 73 2HD1 ILE 73 -9.079 -9.777 5.905 611 H GLU 74 H GLU 74 -3.479 -8.313 8.296 612 HA GLU 74 HA GLU 74 -3.042 -5.645 9.078 613 HB2 GLU 74 2HB GLU 74 -2.995 -7.558 10.652 614 HB3 GLU 74 1HB GLU 74 -1.503 -8.140 9.920 615 HG2 GLU 74 2HG GLU 74 -0.331 -6.108 10.668 616 HG3 GLU 74 1HG GLU 74 -1.834 -5.488 11.351 617 H LYS 75 H LYS 75 -0.925 -7.949 7.393 618 HA LYS 75 HA LYS 75 1.454 -6.376 7.486 619 HB2 LYS 75 2HB LYS 75 0.671 -8.735 5.716 620 HB3 LYS 75 1HB LYS 75 2.280 -8.009 5.711 621 HG2 LYS 75 2HG LYS 75 2.576 -8.612 8.079 622 HG3 LYS 75 1HG LYS 75 0.954 -9.311 8.121 623 HD2 LYS 75 2HD LYS 75 3.272 -10.286 6.400 624 HD3 LYS 75 1HD LYS 75 2.713 -11.042 7.894 625 HE2 LYS 75 2HE LYS 75 0.524 -11.514 6.825 626 HE3 LYS 75 1HE LYS 75 1.099 -10.760 5.335 627 HZ1 LYS 75 3HZ LYS 75 2.275 -13.164 6.609 628 HZ2 LYS 75 1HZ LYS 75 2.799 -12.441 5.169 629 HZ3 LYS 75 2HZ LYS 75 1.267 -13.148 5.253 630 H ILE 76 H ILE 76 -1.044 -6.835 4.992 631 HA ILE 76 HA ILE 76 0.388 -5.364 2.969 632 HB ILE 76 HB ILE 76 -1.589 -5.666 1.547 633 HG12 ILE 76 2HG1 ILE 76 -2.931 -6.699 4.082 634 HG13 ILE 76 1HG1 ILE 76 -3.473 -5.381 3.044 635 HG21 ILE 76 1HG2 ILE 76 -1.573 -8.107 1.437 636 HG22 ILE 76 2HG2 ILE 76 -0.928 -8.204 3.077 637 HG23 ILE 76 3HG2 ILE 76 0.045 -7.504 1.782 638 HD11 ILE 76 3HD1 ILE 76 -3.934 -7.063 1.262 639 HD12 ILE 76 1HD1 ILE 76 -4.875 -7.301 2.734 640 HD13 ILE 76 2HD1 ILE 76 -3.491 -8.335 2.408 641 H ILE 77 H ILE 77 -1.995 -4.515 5.396 642 HA ILE 77 HA ILE 77 -2.466 -1.840 4.553 643 HB ILE 77 HB ILE 77 -2.506 -3.075 7.345 644 HG12 ILE 77 2HG1 ILE 77 -4.278 -3.937 5.847 645 HG13 ILE 77 1HG1 ILE 77 -4.988 -2.938 7.115 646 HG21 ILE 77 1HG2 ILE 77 -3.389 -0.276 6.562 647 HG22 ILE 77 2HG2 ILE 77 -2.053 -0.699 7.635 648 HG23 ILE 77 3HG2 ILE 77 -3.711 -1.045 8.124 649 HD11 ILE 77 3HD1 ILE 77 -6.032 -2.541 4.972 650 HD12 ILE 77 1HD1 ILE 77 -4.485 -2.096 4.257 651 HD13 ILE 77 2HD1 ILE 77 -5.202 -1.089 5.521 652 H LYS 78 H LYS 78 0.093 -3.332 6.583 653 HA LYS 78 HA LYS 78 1.435 -0.931 7.326 654 HB2 LYS 78 2HB LYS 78 2.663 -3.707 7.063 655 HB3 LYS 78 1HB LYS 78 3.375 -2.346 7.931 656 HG2 LYS 78 2HG LYS 78 0.833 -3.822 8.653 657 HG3 LYS 78 1HG LYS 78 2.386 -3.952 9.475 658 HD2 LYS 78 2HD LYS 78 2.203 -1.598 10.204 659 HD3 LYS 78 1HD LYS 78 0.682 -1.427 9.322 660 HE2 LYS 78 2HE LYS 78 1.155 -3.312 11.661 661 HE3 LYS 78 1HE LYS 78 0.286 -1.776 11.730 662 HZ1 LYS 78 3HZ LYS 78 -1.223 -3.648 11.540 663 HZ2 LYS 78 1HZ LYS 78 -0.505 -4.120 10.082 664 HZ3 LYS 78 2HZ LYS 78 -1.335 -2.652 10.183 665 H VAL 79 H VAL 79 1.607 -2.978 4.485 666 HA VAL 79 HA VAL 79 3.972 -1.970 3.298 667 HB VAL 79 HB VAL 79 1.517 -3.191 1.946 668 HG11 VAL 79 1HG1 VAL 79 2.883 -1.934 0.314 669 HG12 VAL 79 2HG1 VAL 79 3.027 -3.668 0.028 670 HG13 VAL 79 3HG1 VAL 79 4.332 -2.794 0.836 671 HG21 VAL 79 3HG2 VAL 79 2.823 -5.308 1.932 672 HG22 VAL 79 1HG2 VAL 79 2.539 -4.726 3.576 673 HG23 VAL 79 2HG2 VAL 79 4.119 -4.511 2.829 674 H ILE 80 H ILE 80 0.526 -1.074 2.890 675 HA ILE 80 HA ILE 80 0.947 1.055 1.048 676 HB ILE 80 HB ILE 80 -1.414 0.561 2.921 677 HG12 ILE 80 2HG1 ILE 80 -0.949 -0.132 -0.013 678 HG13 ILE 80 1HG1 ILE 80 -1.116 -1.264 1.326 679 HG21 ILE 80 1HG2 ILE 80 -2.724 2.098 1.473 680 HG22 ILE 80 2HG2 ILE 80 -1.265 2.495 0.566 681 HG23 ILE 80 3HG2 ILE 80 -1.393 2.941 2.269 682 HD11 ILE 80 3HD1 ILE 80 -3.110 -1.217 -0.013 683 HD12 ILE 80 1HD1 ILE 80 -3.271 0.523 0.208 684 HD13 ILE 80 2HD1 ILE 80 -3.461 -0.565 1.586 685 H ARG 81 H ARG 81 0.647 0.956 4.586 686 HA ARG 81 HA ARG 81 0.688 3.717 5.113 687 HB2 ARG 81 2HB ARG 81 1.729 1.449 6.863 688 HB3 ARG 81 1HB ARG 81 1.562 3.118 7.406 689 HG2 ARG 81 2HG ARG 81 -0.891 2.981 6.960 690 HG3 ARG 81 1HG ARG 81 -0.687 1.268 6.552 691 HD2 ARG 81 2HD ARG 81 -1.375 1.194 8.790 692 HD3 ARG 81 1HD ARG 81 0.379 1.075 8.944 693 HE ARG 81 HE ARG 81 -1.256 3.493 9.434 694 HH11 ARG 81 1HH1 ARG 81 1.778 1.788 9.949 695 HH12 ARG 81 2HH1 ARG 81 2.327 2.894 11.161 696 HH21 ARG 81 1HH2 ARG 81 -0.513 4.919 11.026 697 HH22 ARG 81 2HH2 ARG 81 1.031 4.676 11.766 698 H ASN 82 H ASN 82 3.341 1.365 4.856 699 HA ASN 82 HA ASN 82 5.443 3.135 5.551 700 HB2 ASN 82 2HB ASN 82 5.533 0.581 5.598 701 HB3 ASN 82 1HB ASN 82 5.718 0.613 3.849 702 HD21 ASN 82 1HD2 ASN 82 7.216 1.288 6.905 703 HD22 ASN 82 2HD2 ASN 82 8.819 1.552 6.317 704 H SER 83 H SER 83 4.054 2.157 2.446 705 HA SER 83 HA SER 83 5.812 3.486 0.695 706 HB2 SER 83 2HB SER 83 2.845 2.903 0.321 707 HB3 SER 83 1HB SER 83 3.969 3.339 -0.968 708 HG SER 83 HG SER 83 3.518 0.933 0.200 709 H LEU 84 H LEU 84 2.704 4.547 2.100 710 HA LEU 84 HA LEU 84 2.771 7.127 0.869 711 HB2 LEU 84 2HB LEU 84 0.999 5.933 3.027 712 HB3 LEU 84 1HB LEU 84 0.787 7.559 2.412 713 HG LEU 84 HG LEU 84 0.498 5.005 0.793 714 HD11 LEU 84 1HD1 LEU 84 -1.876 5.637 0.591 715 HD12 LEU 84 2HD1 LEU 84 -1.601 7.007 1.675 716 HD13 LEU 84 3HD1 LEU 84 -1.399 5.357 2.262 717 HD21 LEU 84 3HD2 LEU 84 0.168 7.873 -0.128 718 HD22 LEU 84 1HD2 LEU 84 -0.218 6.434 -1.076 719 HD23 LEU 84 2HD2 LEU 84 1.451 6.760 -0.613 720 H GLU 85 H GLU 85 3.948 5.899 3.948 721 HA GLU 85 HA GLU 85 4.435 8.372 5.296 722 HB2 GLU 85 2HB GLU 85 5.701 5.603 5.519 723 HB3 GLU 85 1HB GLU 85 6.282 6.951 6.493 724 HG2 GLU 85 2HG GLU 85 3.437 5.899 6.554 725 HG3 GLU 85 1HG GLU 85 4.706 5.401 7.668 726 H HIS 86 H HIS 86 6.299 6.328 3.111 727 HA HIS 86 HA HIS 86 8.694 7.890 3.071 728 HB2 HIS 86 2HB HIS 86 8.625 5.437 2.574 729 HB3 HIS 86 1HB HIS 86 7.708 5.767 1.111 730 HD1 HIS 86 HD1 HIS 86 11.120 6.592 2.594 731 HD2 HIS 86 HD2 HIS 86 9.300 6.042 -1.100 732 HE1 HIS 86 HE1 HIS 86 12.985 6.698 0.907 733 HE2 HIS 86 HE2 HIS 86 11.867 6.200 -1.295 734 H ALA 87 H ALA 87 5.696 7.895 1.251 735 HA ALA 87 HA ALA 87 6.512 9.583 -0.907 736 HB1 ALA 87 3HB ALA 87 4.504 8.155 -1.053 737 HB2 ALA 87 1HB ALA 87 4.105 9.847 -1.359 738 HB3 ALA 87 2HB ALA 87 3.722 9.116 0.204 739 H ILE 88 H ILE 88 5.108 10.205 2.319 740 HA ILE 88 HA ILE 88 4.899 13.033 2.138 741 HB ILE 88 HB ILE 88 5.386 11.289 4.594 742 HG12 ILE 88 2HG1 ILE 88 2.811 12.524 3.534 743 HG13 ILE 88 1HG1 ILE 88 3.230 10.815 3.474 744 HG21 ILE 88 1HG2 ILE 88 4.659 13.195 5.984 745 HG22 ILE 88 2HG2 ILE 88 4.571 14.217 4.548 746 HG23 ILE 88 3HG2 ILE 88 6.126 13.578 5.084 747 HD11 ILE 88 3HD1 ILE 88 3.192 10.743 5.936 748 HD12 ILE 88 1HD1 ILE 88 1.654 11.253 5.242 749 HD13 ILE 88 2HD1 ILE 88 2.728 12.446 5.961 750 H ASP 89 H ASP 89 7.527 10.880 3.126 751 HA ASP 89 HA ASP 89 9.434 12.789 3.941 752 HB2 ASP 89 2HB ASP 89 9.601 10.362 4.460 753 HB3 ASP 89 1HB ASP 89 9.873 10.010 2.755 754 H LEU 90 H LEU 90 8.734 11.385 0.767 755 HA LEU 90 HA LEU 90 10.828 12.854 -0.612 756 HB2 LEU 90 2HB LEU 90 8.575 11.145 -1.735 757 HB3 LEU 90 1HB LEU 90 9.935 11.777 -2.653 758 HG LEU 90 HG LEU 90 10.035 9.648 -0.483 759 HD11 LEU 90 1HD1 LEU 90 9.159 8.827 -2.594 760 HD12 LEU 90 2HD1 LEU 90 10.754 8.146 -2.290 761 HD13 LEU 90 3HD1 LEU 90 10.564 9.454 -3.464 762 HD21 LEU 90 3HD2 LEU 90 12.452 9.446 -0.939 763 HD22 LEU 90 1HD2 LEU 90 12.035 11.029 -0.282 764 HD23 LEU 90 2HD2 LEU 90 12.372 10.852 -2.006 765 H GLU 91 H GLU 91 7.985 13.863 0.643 766 HA GLU 91 HA GLU 91 6.691 15.705 0.470 767 HB2 GLU 91 2HB GLU 91 8.758 16.661 -1.556 768 HB3 GLU 91 1HB GLU 91 7.550 17.679 -0.777 769 HG2 GLU 91 2HG GLU 91 8.594 17.189 1.426 770 HG3 GLU 91 1HG GLU 91 9.829 16.232 0.608 771 H LEU 92 H LEU 92 6.438 13.400 -1.491 772 HA LEU 92 HA LEU 92 5.218 14.442 -3.881 773 HB2 LEU 92 2HB LEU 92 5.156 11.651 -2.667 774 HB3 LEU 92 1HB LEU 92 4.622 12.062 -4.291 775 HG LEU 92 HG LEU 92 7.483 12.306 -3.280 776 HD11 LEU 92 1HD1 LEU 92 7.986 10.386 -4.727 777 HD12 LEU 92 2HD1 LEU 92 6.273 10.219 -5.120 778 HD13 LEU 92 3HD1 LEU 92 6.832 9.966 -3.463 779 HD21 LEU 92 3HD2 LEU 92 8.090 12.730 -5.630 780 HD22 LEU 92 1HD2 LEU 92 6.998 13.970 -5.012 781 HD23 LEU 92 2HD2 LEU 92 6.384 12.712 -6.086 782 H ILE 93 H ILE 93 4.181 13.679 -0.673 783 HA ILE 93 HA ILE 93 1.621 14.981 -1.171 784 HB ILE 93 HB ILE 93 0.419 13.348 0.413 785 HG12 ILE 93 2HG1 ILE 93 2.794 11.551 -0.249 786 HG13 ILE 93 1HG1 ILE 93 2.380 12.182 1.340 787 HG21 ILE 93 1HG2 ILE 93 -0.109 13.392 -1.977 788 HG22 ILE 93 2HG2 ILE 93 -0.213 11.748 -1.346 789 HG23 ILE 93 3HG2 ILE 93 1.187 12.236 -2.303 790 HD11 ILE 93 3HD1 ILE 93 0.785 10.183 -0.263 791 HD12 ILE 93 1HD1 ILE 93 0.322 10.835 1.312 792 HD13 ILE 93 2HD1 ILE 93 1.778 9.853 1.158 793 H THR 94 H THR 94 0.856 16.086 0.725 794 HA THR 94 HA THR 94 2.939 16.930 2.543 795 HB THR 94 HB THR 94 1.181 18.427 3.522 796 HG1 THR 94 HG1 THR 94 -0.899 18.237 2.980 797 HG21 THR 94 3HG2 THR 94 2.421 19.207 1.522 798 HG22 THR 94 1HG2 THR 94 0.765 19.817 1.539 799 HG23 THR 94 2HG2 THR 94 1.197 18.473 0.482 800 H LYS 95 H LYS 95 -0.062 15.106 2.757 801 HA LYS 95 HA LYS 95 0.764 13.814 5.268 802 HB2 LYS 95 2HB LYS 95 -0.771 15.747 5.796 803 HB3 LYS 95 1HB LYS 95 -2.005 15.023 4.768 804 HG2 LYS 95 2HG LYS 95 -2.168 13.095 6.292 805 HG3 LYS 95 1HG LYS 95 -0.876 13.765 7.302 806 HD2 LYS 95 2HD LYS 95 -2.304 15.752 7.776 807 HD3 LYS 95 1HD LYS 95 -3.596 15.054 6.794 808 HE2 LYS 95 2HE LYS 95 -3.741 13.149 8.373 809 HE3 LYS 95 1HE LYS 95 -2.462 13.867 9.358 810 HZ1 LYS 95 3HZ LYS 95 -3.887 15.771 9.748 811 HZ2 LYS 95 1HZ LYS 95 -4.663 14.349 10.234 812 HZ3 LYS 95 2HZ LYS 95 -5.104 15.098 8.783 813 H ASN 96 H ASN 96 -0.169 11.689 5.480 814 HA ASN 96 HA ASN 96 -1.371 10.640 2.988 815 HB2 ASN 96 2HB ASN 96 -0.388 8.500 3.404 816 HB3 ASN 96 1HB ASN 96 0.879 9.702 3.548 817 HD21 ASN 96 1HD2 ASN 96 2.257 8.578 4.786 818 HD22 ASN 96 2HD2 ASN 96 1.925 7.986 6.374 819 H VAL 97 H VAL 97 -3.016 9.146 3.134 820 HA VAL 97 HA VAL 97 -4.836 9.496 5.398 821 HB VAL 97 HB VAL 97 -6.512 8.422 3.902 822 HG11 VAL 97 1HG1 VAL 97 -6.189 10.871 3.807 823 HG12 VAL 97 2HG1 VAL 97 -6.607 10.243 2.215 824 HG13 VAL 97 3HG1 VAL 97 -4.936 10.674 2.575 825 HG21 VAL 97 3HG2 VAL 97 -4.207 8.204 1.908 826 HG22 VAL 97 1HG2 VAL 97 -5.903 7.858 1.553 827 HG23 VAL 97 2HG2 VAL 97 -5.019 6.851 2.700 828 H ALA 98 H ALA 98 -2.339 7.493 4.998 829 HA ALA 98 HA ALA 98 -3.658 4.943 5.628 830 HB1 ALA 98 3HB ALA 98 -1.982 4.867 3.871 831 HB2 ALA 98 1HB ALA 98 -1.424 3.948 5.262 832 HB3 ALA 98 2HB ALA 98 -0.765 5.557 4.946 833 H ALA 99 H ALA 99 -2.329 7.580 7.227 834 HA ALA 99 HA ALA 99 -0.754 6.470 9.281 835 HB1 ALA 99 3HB ALA 99 -0.772 8.852 8.690 836 HB2 ALA 99 1HB ALA 99 -1.066 8.624 10.413 837 HB3 ALA 99 2HB ALA 99 -2.408 9.015 9.334 838 H LYS 100 H LYS 100 -4.272 7.186 9.205 839 HA LYS 100 HA LYS 100 -4.691 6.097 11.893 840 HB2 LYS 100 2HB LYS 100 -6.743 7.133 9.894 841 HB3 LYS 100 1HB LYS 100 -7.062 6.728 11.580 842 HG2 LYS 100 2HG LYS 100 -5.319 8.995 10.554 843 HG3 LYS 100 1HG LYS 100 -6.921 9.142 11.285 844 HD2 LYS 100 2HD LYS 100 -5.965 8.202 13.421 845 HD3 LYS 100 1HD LYS 100 -4.367 8.212 12.663 846 HE2 LYS 100 2HE LYS 100 -6.109 10.644 13.230 847 HE3 LYS 100 1HE LYS 100 -4.629 10.189 14.076 848 HZ1 LYS 100 3HZ LYS 100 -4.170 11.915 12.489 849 HZ2 LYS 100 1HZ LYS 100 -4.846 11.015 11.224 850 HZ3 LYS 100 2HZ LYS 100 -3.427 10.490 11.975 851 H THR 101 H THR 101 -4.339 4.727 8.874 852 HA THR 101 HA THR 101 -6.488 2.819 8.903 853 HB THR 101 HB THR 101 -3.935 2.634 7.249 854 HG1 THR 101 HG1 THR 101 -5.117 3.824 5.702 855 HG21 THR 101 3HG2 THR 101 -5.351 1.418 5.641 856 HG22 THR 101 1HG2 THR 101 -6.754 1.594 6.702 857 HG23 THR 101 2HG2 THR 101 -5.385 0.596 7.202 858 H LYS 102 H LYS 102 -6.435 1.701 10.800 859 HA LYS 102 HA LYS 102 -4.128 -0.037 11.367 860 HB2 LYS 102 2HB LYS 102 -6.581 0.656 13.045 861 HB3 LYS 102 1HB LYS 102 -5.374 -0.544 13.515 862 HG2 LYS 102 2HG LYS 102 -3.634 1.275 13.440 863 HG3 LYS 102 1HG LYS 102 -4.930 2.445 13.153 864 HD2 LYS 102 2HD LYS 102 -5.934 1.916 15.322 865 HD3 LYS 102 1HD LYS 102 -4.766 0.621 15.592 866 HE2 LYS 102 2HE LYS 102 -4.169 2.614 16.894 867 HE3 LYS 102 1HE LYS 102 -2.940 2.290 15.672 868 HZ1 LYS 102 3HZ LYS 102 -3.847 4.029 14.310 869 HZ2 LYS 102 1HZ LYS 102 -3.529 4.647 15.851 870 HZ3 LYS 102 2HZ LYS 102 -5.119 4.291 15.392 871 H LEU 103 H LEU 103 -4.590 -2.281 11.931 872 HA LEU 103 HA LEU 103 -6.324 -3.756 10.246 873 HB2 LEU 103 2HB LEU 103 -4.313 -4.747 11.316 874 HB3 LEU 103 1HB LEU 103 -5.004 -4.477 12.904 875 HG LEU 103 HG LEU 103 -6.815 -6.151 12.329 876 HD11 LEU 103 1HD1 LEU 103 -6.725 -6.057 9.897 877 HD12 LEU 103 2HD1 LEU 103 -6.488 -7.703 10.473 878 HD13 LEU 103 3HD1 LEU 103 -5.105 -6.762 9.908 879 HD21 LEU 103 3HD2 LEU 103 -5.430 -8.141 12.704 880 HD22 LEU 103 1HD2 LEU 103 -4.897 -6.797 13.715 881 HD23 LEU 103 2HD2 LEU 103 -3.978 -7.233 12.273 882 HA PRO 104 HA PRO 104 -10.228 -2.990 12.581 883 HB2 PRO 104 2HB PRO 104 -11.679 -5.112 11.502 884 HB3 PRO 104 1HB PRO 104 -11.500 -3.533 10.728 885 HG2 PRO 104 2HG PRO 104 -9.944 -6.070 10.251 886 HG3 PRO 104 1HG PRO 104 -10.617 -4.933 9.060 887 HD2 PRO 104 2HD PRO 104 -8.003 -4.877 9.683 888 HD3 PRO 104 1HD PRO 104 -8.884 -3.362 9.404 889 H LYS 105 H LYS 105 -11.821 -4.559 13.822 890 HA LYS 105 HA LYS 105 -10.447 -5.415 16.086 891 HB2 LYS 105 2HB LYS 105 -13.279 -6.143 15.227 892 HB3 LYS 105 1HB LYS 105 -12.637 -6.344 16.858 893 HG2 LYS 105 2HG LYS 105 -12.878 -3.678 15.416 894 HG3 LYS 105 1HG LYS 105 -14.065 -4.302 16.558 895 HD2 LYS 105 2HD LYS 105 -11.173 -3.960 17.407 896 HD3 LYS 105 1HD LYS 105 -12.247 -2.566 17.361 897 HE2 LYS 105 2HE LYS 105 -12.200 -3.450 19.614 898 HE3 LYS 105 1HE LYS 105 -13.789 -3.741 18.925 899 HZ1 LYS 105 3HZ LYS 105 -13.065 -5.643 20.127 900 HZ2 LYS 105 1HZ LYS 105 -11.621 -5.723 19.254 901 HZ3 LYS 105 2HZ LYS 105 -13.095 -6.032 18.485 902 H ALA 106 H ALA 106 -8.924 -6.932 15.891 903 HA ALA 106 HA ALA 106 -9.443 -9.478 14.503 904 HB1 ALA 106 3HB ALA 106 -7.400 -8.241 13.895 905 HB2 ALA 106 1HB ALA 106 -7.012 -9.810 14.611 906 HB3 ALA 106 2HB ALA 106 -6.837 -8.331 15.563 907 H ASP 107 H ASP 107 -9.014 -11.473 15.505 908 HA ASP 107 HA ASP 107 -9.720 -11.781 18.235 909 HB2 ASP 107 2HB ASP 107 -8.384 -13.755 16.318 910 HB3 ASP 107 1HB ASP 107 -9.025 -14.184 17.902 911 H LYS 108 H LYS 108 -8.443 -12.337 20.025 912 HA LYS 108 HA LYS 108 -5.830 -11.167 20.135 913 HB2 LYS 108 2HB LYS 108 -7.398 -12.766 22.206 914 HB3 LYS 108 1HB LYS 108 -5.881 -11.927 22.535 915 HG2 LYS 108 2HG LYS 108 -8.456 -10.586 21.628 916 HG3 LYS 108 1HG LYS 108 -7.875 -10.664 23.296 917 HD2 LYS 108 2HD LYS 108 -5.914 -9.325 22.732 918 HD3 LYS 108 1HD LYS 108 -6.335 -9.351 21.016 919 HE2 LYS 108 2HE LYS 108 -7.959 -8.036 23.219 920 HE3 LYS 108 1HE LYS 108 -6.943 -7.204 22.038 921 HZ1 LYS 108 3HZ LYS 108 -9.245 -7.133 21.371 922 HZ2 LYS 108 1HZ LYS 108 -9.365 -8.819 21.431 923 HZ3 LYS 108 2HZ LYS 108 -8.374 -8.080 20.277 924 H GLU 109 H GLU 109 -3.935 -12.117 19.818 925 HA GLU 109 HA GLU 109 -3.443 -14.868 19.331 926 HB2 GLU 109 2HB GLU 109 -1.555 -12.639 20.213 927 HB3 GLU 109 1HB GLU 109 -1.035 -14.206 19.607 928 HG2 GLU 109 2HG GLU 109 -2.701 -12.268 17.966 929 HG3 GLU 109 1HG GLU 109 -0.939 -12.243 17.978 930 H GLU 110 H GLU 110 -3.828 -13.005 22.198 931 HA GLU 110 HA GLU 110 -3.919 -13.391 24.390 932 HB2 GLU 110 2HB GLU 110 -3.778 -16.338 23.606 933 HB3 GLU 110 1HB GLU 110 -4.118 -15.761 25.241 934 HG2 GLU 110 2HG GLU 110 -6.171 -14.690 24.482 935 HG3 GLU 110 1HG GLU 110 -5.822 -15.120 22.807 936 H LEU 111 H LEU 111 -1.350 -13.212 22.832 937 HA LEU 111 HA LEU 111 0.786 -14.241 24.399 938 HB2 LEU 111 2HB LEU 111 0.610 -11.641 22.816 939 HB3 LEU 111 1HB LEU 111 2.102 -12.313 23.457 940 HG LEU 111 HG LEU 111 0.369 -13.682 21.357 941 HD11 LEU 111 1HD1 LEU 111 2.946 -12.110 20.984 942 HD12 LEU 111 2HD1 LEU 111 1.337 -11.636 20.438 943 HD13 LEU 111 3HD1 LEU 111 2.116 -13.047 19.735 944 HD21 LEU 111 3HD2 LEU 111 2.291 -15.199 21.078 945 HD22 LEU 111 1HD2 LEU 111 1.660 -15.264 22.724 946 HD23 LEU 111 2HD2 LEU 111 3.147 -14.374 22.384 947 H GLU 112 H GLU 112 -1.344 -11.491 24.725 948 HA GLU 112 HA GLU 112 -0.478 -11.054 27.516 949 HB2 GLU 112 2HB GLU 112 -1.489 -8.692 27.152 950 HB3 GLU 112 1HB GLU 112 0.066 -9.020 26.411 951 HG2 GLU 112 2HG GLU 112 -1.342 -7.721 24.896 952 HG3 GLU 112 1HG GLU 112 -0.994 -9.309 24.214 953 H HIS 113 H HIS 113 -2.502 -9.789 28.612 954 HA HIS 113 HA HIS 113 -5.109 -10.473 27.531 955 HB2 HIS 113 2HB HIS 113 -6.006 -11.501 29.544 956 HB3 HIS 113 1HB HIS 113 -4.577 -12.415 29.071 957 HD1 HIS 113 HD1 HIS 113 -2.450 -12.161 30.617 958 HD2 HIS 113 HD2 HIS 113 -5.890 -10.312 32.057 959 HE1 HIS 113 HE1 HIS 113 -1.976 -11.632 33.033 960 HE2 HIS 113 HE2 HIS 113 -4.056 -10.495 33.880 961 H HIS 114 H HIS 114 -6.720 -9.035 28.284 962 HA HIS 114 HA HIS 114 -5.851 -6.441 29.115 963 HB2 HIS 114 2HB HIS 114 -8.625 -7.672 28.784 964 HB3 HIS 114 1HB HIS 114 -8.386 -5.998 29.280 965 HD1 HIS 114 HD1 HIS 114 -8.133 -4.345 27.470 966 HD2 HIS 114 HD2 HIS 114 -7.396 -8.207 26.129 967 HE1 HIS 114 HE1 HIS 114 -7.784 -4.137 25.000 968 HE2 HIS 114 HE2 HIS 114 -7.075 -6.426 24.280 969 H HIS 115 H HIS 115 -4.997 -6.246 31.056 970 HA HIS 115 HA HIS 115 -5.661 -7.913 33.307 971 HB2 HIS 115 2HB HIS 115 -3.793 -6.789 34.429 972 HB3 HIS 115 1HB HIS 115 -3.322 -7.194 32.789 973 HD1 HIS 115 HD1 HIS 115 -3.373 -4.452 35.150 974 HD2 HIS 115 HD2 HIS 115 -3.419 -4.790 31.003 975 HE1 HIS 115 HE1 HIS 115 -2.728 -2.184 34.283 976 HE2 HIS 115 HE2 HIS 115 -2.957 -2.366 31.782 977 H HIS 116 H HIS 116 -7.375 -7.542 34.625 978 HA HIS 116 HA HIS 116 -8.639 -4.960 34.870 979 HB2 HIS 116 2HB HIS 116 -9.934 -7.112 35.021 980 HB3 HIS 116 1HB HIS 116 -9.153 -7.450 36.563 981 HD1 HIS 116 HD1 HIS 116 -10.164 -6.381 38.617 982 HD2 HIS 116 HD2 HIS 116 -11.687 -4.795 35.088 983 HE1 HIS 116 HE1 HIS 116 -12.071 -4.902 39.310 984 HE2 HIS 116 HE2 HIS 116 -13.046 -4.046 37.156 985 H HIS 117 H HIS 117 -7.248 -3.488 35.737 986 HA HIS 117 HA HIS 117 -5.409 -3.813 37.810 987 HB2 HIS 117 2HB HIS 117 -5.328 -1.836 36.377 988 HB3 HIS 117 1HB HIS 117 -6.910 -1.297 36.939 989 HD1 HIS 117 HD1 HIS 117 -6.994 -0.040 39.189 990 HD2 HIS 117 HD2 HIS 117 -3.190 -1.401 38.222 991 HE1 HIS 117 HE1 HIS 117 -5.451 1.057 40.840 992 HE2 HIS 117 HE2 HIS 117 -3.161 0.181 40.271 993 H HIS 118 H HIS 118 -5.767 -4.364 39.851 994 HA HIS 118 HA HIS 118 -8.005 -3.258 41.393 995 HB2 HIS 118 2HB HIS 118 -8.852 -5.442 40.667 996 HB3 HIS 118 1HB HIS 118 -7.360 -6.237 41.156 997 HD1 HIS 118 HD1 HIS 118 -7.057 -6.768 43.651 998 HD2 HIS 118 HD2 HIS 118 -10.623 -4.825 42.776 999 HE1 HIS 118 HE1 HIS 118 -8.437 -6.921 45.743 1000 HE2 HIS 118 HE2 HIS 118 -10.487 -5.549 45.256
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