NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
574066 | 2m1b | 17014 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 H1 HIS 1 6.685 -15.529 6.869 2 H2 HIS 1 H2 HIS 1 7.806 -16.008 5.661 3 H3 HIS 1 H3 HIS 1 6.123 -16.226 5.407 4 HA HIS 1 HA HIS 1 5.890 -13.785 5.614 5 HB2 HIS 1 HB2 HIS 1 8.300 -13.768 6.645 6 HB3 HIS 1 HB3 HIS 1 8.819 -13.716 4.964 7 HD1 HIS 1 HD1 HIS 1 7.055 -11.682 7.571 8 HD2 HIS 1 HD2 HIS 1 8.412 -11.284 3.663 9 HE1 HIS 1 HE1 HIS 1 6.888 -9.228 7.048 10 HE2 HIS 1 HE2 HIS 1 7.635 -9.024 4.650 11 H SER 2 H SER 2 5.314 -12.908 3.685 12 HA SER 2 HA SER 2 6.551 -13.890 1.230 13 HB2 SER 2 HB2 SER 2 3.742 -14.417 2.078 14 HB3 SER 2 HB3 SER 2 4.025 -14.034 0.380 15 HG SER 2 HG SER 2 4.148 -16.325 1.017 16 H VAL 3 H VAL 3 7.064 -12.160 0.077 17 HA VAL 3 HA VAL 3 5.787 -9.616 0.564 18 HB VAL 3 HB VAL 3 7.415 -8.719 -1.054 19 HG11 VAL 3 HG11 VAL 3 8.154 -10.255 1.347 20 HG12 VAL 3 HG12 VAL 3 8.433 -8.560 0.951 21 HG13 VAL 3 HG13 VAL 3 9.489 -9.805 0.287 22 HG21 VAL 3 HG21 VAL 3 8.088 -10.122 -2.663 23 HG22 VAL 3 HG22 VAL 3 7.694 -11.550 -1.707 24 HG23 VAL 3 HG23 VAL 3 9.239 -10.732 -1.474 25 HA PRO 4 HA PRO 4 3.002 -10.430 -2.897 26 HB2 PRO 4 HB2 PRO 4 1.140 -8.620 -2.269 27 HB3 PRO 4 HB3 PRO 4 1.320 -10.109 -1.332 28 HG2 PRO 4 HG2 PRO 4 2.269 -7.344 -0.699 29 HG3 PRO 4 HG3 PRO 4 1.537 -8.550 0.374 30 HD2 PRO 4 HD2 PRO 4 4.248 -8.062 0.178 31 HD3 PRO 4 HD3 PRO 4 3.537 -9.577 0.766 32 H GLU 5 H GLU 5 2.364 -9.290 -4.784 33 HA GLU 5 HA GLU 5 3.575 -6.637 -5.131 34 HB2 GLU 5 HB2 GLU 5 4.357 -9.073 -6.423 35 HB3 GLU 5 HB3 GLU 5 3.708 -7.964 -7.624 36 HG2 GLU 5 HG2 GLU 5 5.256 -6.255 -6.948 37 HG3 GLU 5 HG3 GLU 5 5.849 -7.269 -5.636 38 H SER 6 H SER 6 0.935 -7.128 -4.514 39 HA SER 6 HA SER 6 -0.394 -5.708 -6.579 40 HB2 SER 6 HB2 SER 6 -0.314 -8.292 -7.249 41 HB3 SER 6 HB3 SER 6 -1.711 -8.352 -6.174 42 HG SER 6 HG SER 6 -2.027 -7.856 -8.531 43 H ILE 7 H ILE 7 -2.780 -5.445 -6.049 44 HA ILE 7 HA ILE 7 -3.278 -5.788 -3.172 45 HB ILE 7 HB ILE 7 -4.056 -3.270 -4.618 46 HG12 ILE 7 HG12 ILE 7 -1.574 -3.703 -2.940 47 HG13 ILE 7 HG13 ILE 7 -1.589 -3.515 -4.690 48 HG21 ILE 7 HG21 ILE 7 -4.678 -2.454 -2.570 49 HG22 ILE 7 HG22 ILE 7 -3.551 -3.489 -1.693 50 HG23 ILE 7 HG23 ILE 7 -5.038 -4.167 -2.355 51 HD11 ILE 7 HD11 ILE 7 -1.007 -1.489 -3.229 52 HD12 ILE 7 HD12 ILE 7 -2.741 -1.404 -2.916 53 HD13 ILE 7 HD13 ILE 7 -2.134 -1.268 -4.566 54 H ARG 8 H ARG 8 -5.269 -6.488 -2.674 55 HA ARG 8 HA ARG 8 -7.434 -6.174 -4.611 56 HB2 ARG 8 HB2 ARG 8 -6.017 -8.551 -4.424 57 HB3 ARG 8 HB3 ARG 8 -7.438 -8.841 -3.430 58 HG2 ARG 8 HG2 ARG 8 -7.689 -7.711 -6.191 59 HG3 ARG 8 HG3 ARG 8 -7.535 -9.448 -5.919 60 HD2 ARG 8 HD2 ARG 8 -9.460 -8.879 -4.137 61 HD3 ARG 8 HD3 ARG 8 -9.780 -7.619 -5.328 62 HE ARG 8 HE ARG 8 -10.555 -9.223 -6.765 63 HH11 ARG 8 HH11 ARG 8 -8.764 -10.776 -4.203 64 HH12 ARG 8 HH12 ARG 8 -9.223 -12.376 -4.683 65 HH21 ARG 8 HH21 ARG 8 -11.160 -11.325 -7.397 66 HH22 ARG 8 HH22 ARG 8 -10.583 -12.688 -6.496 67 H PHE 9 H PHE 9 -8.431 -4.757 -3.186 68 HA PHE 9 HA PHE 9 -9.371 -5.947 -0.658 69 HB2 PHE 9 HB2 PHE 9 -9.665 -3.589 0.128 70 HB3 PHE 9 HB3 PHE 9 -7.991 -4.029 -0.187 71 HD1 PHE 9 HD1 PHE 9 -6.930 -3.278 -2.343 72 HD2 PHE 9 HD2 PHE 9 -10.672 -1.784 -0.972 73 HE1 PHE 9 HE1 PHE 9 -6.701 -1.339 -3.840 74 HE2 PHE 9 HE2 PHE 9 -10.450 0.156 -2.468 75 HZ PHE 9 HZ PHE 9 -8.463 0.380 -3.905 76 H GLY 10 H GLY 10 -11.292 -6.832 -1.264 77 HA2 GLY 10 HA2 GLY 10 -13.537 -6.871 -1.760 78 HA3 GLY 10 HA3 GLY 10 -13.521 -5.120 -1.608 79 HA PRO 11 HA PRO 11 -14.230 -5.747 -6.056 80 HB2 PRO 11 HB2 PRO 11 -16.001 -3.788 -6.416 81 HB3 PRO 11 HB3 PRO 11 -16.460 -5.289 -5.601 82 HG2 PRO 11 HG2 PRO 11 -15.820 -2.616 -4.430 83 HG3 PRO 11 HG3 PRO 11 -17.072 -3.777 -3.956 84 HD2 PRO 11 HD2 PRO 11 -14.604 -3.475 -2.709 85 HD3 PRO 11 HD3 PRO 11 -15.649 -4.903 -2.581 86 H ASN 12 H ASN 12 -11.900 -4.422 -5.059 87 HA ASN 12 HA ASN 12 -11.496 -2.523 -7.200 88 HB2 ASN 12 HB2 ASN 12 -11.581 -1.717 -4.319 89 HB3 ASN 12 HB3 ASN 12 -10.424 -0.931 -5.388 90 HD21 ASN 12 HD21 ASN 12 -12.465 0.437 -4.117 91 HD22 ASN 12 HD22 ASN 12 -13.586 1.004 -5.303 92 H VAL 13 H VAL 13 -9.584 -2.993 -8.065 93 HA VAL 13 HA VAL 13 -7.549 -4.270 -6.363 94 HB VAL 13 HB VAL 13 -7.687 -4.338 -9.378 95 HG11 VAL 13 HG11 VAL 13 -6.258 -6.315 -7.656 96 HG12 VAL 13 HG12 VAL 13 -5.510 -4.756 -8.001 97 HG13 VAL 13 HG13 VAL 13 -5.939 -5.840 -9.324 98 HG21 VAL 13 HG21 VAL 13 -8.908 -6.122 -7.313 99 HG22 VAL 13 HG22 VAL 13 -8.373 -6.792 -8.854 100 HG23 VAL 13 HG23 VAL 13 -9.594 -5.520 -8.821 101 H PHE 14 H PHE 14 -5.529 -3.412 -6.195 102 HA PHE 14 HA PHE 14 -4.968 -0.988 -7.773 103 HB2 PHE 14 HB2 PHE 14 -5.589 -0.599 -5.324 104 HB3 PHE 14 HB3 PHE 14 -4.062 -1.372 -4.922 105 HD1 PHE 14 HD1 PHE 14 -2.023 -0.366 -6.425 106 HD2 PHE 14 HD2 PHE 14 -5.580 1.680 -5.298 107 HE1 PHE 14 HE1 PHE 14 -0.870 1.786 -6.708 108 HE2 PHE 14 HE2 PHE 14 -4.432 3.836 -5.578 109 HZ PHE 14 HZ PHE 14 -2.073 3.891 -6.284 110 H TYR 15 H TYR 15 -3.041 -0.896 -8.744 111 HA TYR 15 HA TYR 15 -1.260 -3.182 -8.455 112 HB2 TYR 15 HB2 TYR 15 -1.339 -0.908 -10.442 113 HB3 TYR 15 HB3 TYR 15 -0.118 -2.175 -10.455 114 HD1 TYR 15 HD1 TYR 15 -3.698 -1.452 -10.949 115 HD2 TYR 15 HD2 TYR 15 -0.611 -4.358 -11.301 116 HE1 TYR 15 HE1 TYR 15 -5.186 -2.858 -12.310 117 HE2 TYR 15 HE2 TYR 15 -2.091 -5.773 -12.664 118 HH TYR 15 HH TYR 15 -4.624 -6.063 -12.935 119 H VAL 16 H VAL 16 0.720 -3.113 -7.562 120 HA VAL 16 HA VAL 16 1.451 -0.797 -6.029 121 HB VAL 16 HB VAL 16 3.463 -2.192 -5.410 122 HG11 VAL 16 HG11 VAL 16 1.126 -3.900 -4.844 123 HG12 VAL 16 HG12 VAL 16 0.961 -2.195 -4.427 124 HG13 VAL 16 HG13 VAL 16 2.278 -3.147 -3.741 125 HG21 VAL 16 HG21 VAL 16 3.784 -4.317 -6.201 126 HG22 VAL 16 HG22 VAL 16 3.101 -3.554 -7.638 127 HG23 VAL 16 HG23 VAL 16 2.080 -4.546 -6.596 128 H LEU 17 H LEU 17 2.101 -1.828 -9.202 129 HA LEU 17 HA LEU 17 4.439 -0.039 -9.328 130 HB2 LEU 17 HB2 LEU 17 3.951 -2.712 -10.475 131 HB3 LEU 17 HB3 LEU 17 4.712 -1.558 -11.554 132 HG LEU 17 HG LEU 17 6.437 -2.821 -10.489 133 HD11 LEU 17 HD11 LEU 17 6.637 -0.280 -10.714 134 HD12 LEU 17 HD12 LEU 17 7.783 -1.106 -9.658 135 HD13 LEU 17 HD13 LEU 17 6.412 -0.240 -8.965 136 HD21 LEU 17 HD21 LEU 17 6.682 -2.794 -8.006 137 HD22 LEU 17 HD22 LEU 17 5.284 -3.697 -8.589 138 HD23 LEU 17 HD23 LEU 17 5.070 -2.085 -7.908 139 H LYS 18 H LYS 18 1.256 -0.168 -10.092 140 HA LYS 18 HA LYS 18 1.610 1.280 -12.627 141 HB2 LYS 18 HB2 LYS 18 -0.011 -0.850 -12.110 142 HB3 LYS 18 HB3 LYS 18 -1.116 0.490 -11.851 143 HG2 LYS 18 HG2 LYS 18 -0.992 1.191 -14.047 144 HG3 LYS 18 HG3 LYS 18 0.557 0.389 -14.320 145 HD2 LYS 18 HD2 LYS 18 -0.474 -1.758 -14.349 146 HD3 LYS 18 HD3 LYS 18 -2.008 -1.095 -13.789 147 HE2 LYS 18 HE2 LYS 18 -2.604 -0.974 -15.934 148 HE3 LYS 18 HE3 LYS 18 -1.454 0.354 -16.083 149 HZ1 LYS 18 HZ1 LYS 18 0.031 -0.934 -17.163 150 HZ2 LYS 18 HZ2 LYS 18 -1.346 -1.823 -17.580 151 HZ3 LYS 18 HZ3 LYS 18 -0.364 -2.337 -16.303 152 H LEU 19 H LEU 19 0.106 1.422 -9.443 153 HA LEU 19 HA LEU 19 -0.579 3.194 -8.186 154 HB2 LEU 19 HB2 LEU 19 0.322 5.034 -10.390 155 HB3 LEU 19 HB3 LEU 19 0.158 5.392 -8.681 156 HG LEU 19 HG LEU 19 2.161 3.378 -9.661 157 HD11 LEU 19 HD11 LEU 19 2.226 6.304 -9.922 158 HD12 LEU 19 HD12 LEU 19 3.131 5.062 -10.788 159 HD13 LEU 19 HD13 LEU 19 3.656 5.580 -9.186 160 HD21 LEU 19 HD21 LEU 19 2.165 3.147 -7.410 161 HD22 LEU 19 HD22 LEU 19 1.524 4.766 -7.133 162 HD23 LEU 19 HD23 LEU 19 3.234 4.547 -7.505 163 H THR 20 H THR 20 -2.304 1.865 -10.045 164 HA THR 20 HA THR 20 -4.378 3.903 -10.235 165 HB THR 20 HB THR 20 -3.703 2.138 -12.594 166 HG1 THR 20 HG1 THR 20 -2.234 3.576 -12.966 167 HG21 THR 20 HG21 THR 20 -5.318 3.235 -13.813 168 HG22 THR 20 HG22 THR 20 -5.382 4.600 -12.698 169 HG23 THR 20 HG23 THR 20 -6.091 3.052 -12.238 170 H VAL 21 H VAL 21 -6.172 3.123 -9.359 171 HA VAL 21 HA VAL 21 -6.489 0.213 -9.164 172 HB VAL 21 HB VAL 21 -6.508 1.384 -7.028 173 HG11 VAL 21 HG11 VAL 21 -7.630 3.268 -6.593 174 HG12 VAL 21 HG12 VAL 21 -9.091 2.699 -7.400 175 HG13 VAL 21 HG13 VAL 21 -7.781 3.405 -8.345 176 HG21 VAL 21 HG21 VAL 21 -7.834 -0.316 -6.473 177 HG22 VAL 21 HG22 VAL 21 -8.687 -0.245 -8.014 178 HG23 VAL 21 HG23 VAL 21 -9.195 0.785 -6.677 179 H GLU 22 H GLU 22 -8.063 -0.821 -10.203 180 HA GLU 22 HA GLU 22 -9.848 0.707 -11.906 181 HB2 GLU 22 HB2 GLU 22 -8.682 -1.933 -11.937 182 HB3 GLU 22 HB3 GLU 22 -10.423 -2.037 -12.157 183 HG2 GLU 22 HG2 GLU 22 -10.345 -1.153 -14.209 184 HG3 GLU 22 HG3 GLU 22 -9.125 0.039 -13.761 185 H THR 23 H THR 23 -11.884 1.174 -11.409 186 HA THR 23 HA THR 23 -13.123 -0.239 -9.149 187 HB THR 23 HB THR 23 -14.723 1.870 -9.399 188 HG1 THR 23 HG1 THR 23 -13.880 2.971 -11.033 189 HG21 THR 23 HG21 THR 23 -11.999 1.984 -8.131 190 HG22 THR 23 HG22 THR 23 -13.503 1.459 -7.375 191 HG23 THR 23 HG23 THR 23 -13.296 3.145 -7.848 192 HA PRO 24 HA PRO 24 -16.449 -2.089 -11.348 193 HB2 PRO 24 HB2 PRO 24 -18.320 -0.206 -9.982 194 HB3 PRO 24 HB3 PRO 24 -18.401 -1.964 -10.122 195 HG2 PRO 24 HG2 PRO 24 -17.630 -0.832 -7.852 196 HG3 PRO 24 HG3 PRO 24 -16.830 -2.298 -8.449 197 HD2 PRO 24 HD2 PRO 24 -15.875 0.525 -8.469 198 HD3 PRO 24 HD3 PRO 24 -14.963 -0.980 -8.270 199 H GLU 25 H GLU 25 -16.771 1.441 -11.083 200 HA GLU 25 HA GLU 25 -18.331 1.700 -13.459 201 HB2 GLU 25 HB2 GLU 25 -18.274 3.328 -11.520 202 HB3 GLU 25 HB3 GLU 25 -16.708 3.862 -12.116 203 HG2 GLU 25 HG2 GLU 25 -17.848 4.366 -14.306 204 HG3 GLU 25 HG3 GLU 25 -19.377 4.092 -13.472 205 H GLY 26 H GLY 26 -14.914 2.291 -12.678 206 HA2 GLY 26 HA2 GLY 26 -14.076 1.555 -15.306 207 HA3 GLY 26 HA3 GLY 26 -14.023 3.297 -15.083 208 H SER 27 H SER 27 -12.317 4.183 -14.061 209 HA SER 27 HA SER 27 -10.551 2.456 -12.491 210 HB2 SER 27 HB2 SER 27 -9.933 3.026 -15.097 211 HB3 SER 27 HB3 SER 27 -9.104 4.326 -14.243 212 HG SER 27 HG SER 27 -8.139 2.675 -12.926 213 H VAL 28 H VAL 28 -8.786 3.821 -11.421 214 HA VAL 28 HA VAL 28 -9.600 6.571 -10.896 215 HB VAL 28 HB VAL 28 -9.362 4.505 -8.703 216 HG11 VAL 28 HG11 VAL 28 -10.171 6.559 -7.328 217 HG12 VAL 28 HG12 VAL 28 -9.467 7.490 -8.650 218 HG13 VAL 28 HG13 VAL 28 -8.459 6.386 -7.715 219 HG21 VAL 28 HG21 VAL 28 -11.497 4.293 -9.685 220 HG22 VAL 28 HG22 VAL 28 -11.689 6.040 -9.827 221 HG23 VAL 28 HG23 VAL 28 -11.731 5.275 -8.239 222 H HIS 29 H HIS 29 -7.834 7.773 -11.043 223 HA HIS 29 HA HIS 29 -5.215 6.558 -10.593 224 HB2 HIS 29 HB2 HIS 29 -6.146 9.060 -11.975 225 HB3 HIS 29 HB3 HIS 29 -4.457 8.862 -11.519 226 HD1 HIS 29 HD1 HIS 29 -6.809 8.101 -14.167 227 HD2 HIS 29 HD2 HIS 29 -3.257 6.470 -12.756 228 HE1 HIS 29 HE1 HIS 29 -5.958 6.633 -16.024 229 HE2 HIS 29 HE2 HIS 29 -3.840 5.608 -15.124 230 H LEU 30 H LEU 30 -3.544 8.083 -9.572 231 HA LEU 30 HA LEU 30 -4.443 10.001 -7.666 232 HB2 LEU 30 HB2 LEU 30 -4.195 8.849 -5.650 233 HB3 LEU 30 HB3 LEU 30 -5.106 7.746 -6.664 234 HG LEU 30 HG LEU 30 -2.189 7.575 -5.935 235 HD11 LEU 30 HD11 LEU 30 -4.653 6.055 -5.220 236 HD12 LEU 30 HD12 LEU 30 -3.341 6.622 -4.187 237 HD13 LEU 30 HD13 LEU 30 -3.093 5.232 -5.245 238 HD21 LEU 30 HD21 LEU 30 -2.060 5.590 -7.320 239 HD22 LEU 30 HD22 LEU 30 -2.489 6.994 -8.297 240 HD23 LEU 30 HD23 LEU 30 -3.728 5.824 -7.843 241 H THR 31 H THR 31 -2.600 10.598 -6.125 242 HA THR 31 HA THR 31 -0.259 11.048 -7.683 243 HB THR 31 HB THR 31 0.531 11.780 -5.213 244 HG1 THR 31 HG1 THR 31 -1.332 12.526 -4.104 245 HG21 THR 31 HG21 THR 31 0.470 13.706 -6.293 246 HG22 THR 31 HG22 THR 31 -1.233 13.830 -5.850 247 HG23 THR 31 HG23 THR 31 -0.773 13.116 -7.397 248 HA PRO 32 HA PRO 32 1.857 7.309 -6.572 249 HB2 PRO 32 HB2 PRO 32 4.319 7.919 -7.498 250 HB3 PRO 32 HB3 PRO 32 2.967 7.551 -8.575 251 HG2 PRO 32 HG2 PRO 32 4.079 10.212 -7.772 252 HG3 PRO 32 HG3 PRO 32 3.564 9.652 -9.374 253 HD2 PRO 32 HD2 PRO 32 2.012 11.217 -7.776 254 HD3 PRO 32 HD3 PRO 32 1.343 10.053 -8.937 255 H SER 33 H SER 33 2.690 10.410 -5.335 256 HA SER 33 HA SER 33 4.764 9.432 -3.593 257 HB2 SER 33 HB2 SER 33 3.340 12.103 -3.610 258 HB3 SER 33 HB3 SER 33 4.780 11.718 -2.668 259 HG SER 33 HG SER 33 5.887 11.380 -4.634 260 H GLU 34 H GLU 34 1.372 10.159 -3.399 261 HA GLU 34 HA GLU 34 1.306 9.646 -0.546 262 HB2 GLU 34 HB2 GLU 34 -0.932 10.205 -2.503 263 HB3 GLU 34 HB3 GLU 34 -1.138 10.037 -0.765 264 HG2 GLU 34 HG2 GLU 34 0.166 12.005 -0.360 265 HG3 GLU 34 HG3 GLU 34 0.584 12.129 -2.068 266 H SER 35 H SER 35 0.441 8.139 -3.557 267 HA SER 35 HA SER 35 -0.726 5.834 -2.301 268 HB2 SER 35 HB2 SER 35 -1.285 5.153 -4.410 269 HB3 SER 35 HB3 SER 35 -0.971 6.845 -4.786 270 HG SER 35 HG SER 35 0.764 4.635 -5.139 271 H GLY 36 H GLY 36 2.407 7.001 -2.888 272 HA2 GLY 36 HA2 GLY 36 3.774 4.531 -3.203 273 HA3 GLY 36 HA3 GLY 36 4.494 6.058 -2.718 274 H ILE 37 H ILE 37 2.626 6.372 -0.476 275 HA ILE 37 HA ILE 37 4.163 5.033 1.500 276 HB ILE 37 HB ILE 37 1.520 6.467 1.770 277 HG12 ILE 37 HG12 ILE 37 3.483 7.967 3.012 278 HG13 ILE 37 HG13 ILE 37 4.305 7.343 1.586 279 HG21 ILE 37 HG21 ILE 37 2.609 6.630 4.222 280 HG22 ILE 37 HG22 ILE 37 3.205 5.045 3.729 281 HG23 ILE 37 HG23 ILE 37 1.472 5.370 3.743 282 HD11 ILE 37 HD11 ILE 37 3.393 9.430 0.993 283 HD12 ILE 37 HD12 ILE 37 1.827 9.028 1.700 284 HD13 ILE 37 HD13 ILE 37 2.372 8.207 0.237 285 H LEU 38 H LEU 38 0.960 4.502 0.178 286 HA LEU 38 HA LEU 38 0.407 2.253 1.863 287 HB2 LEU 38 HB2 LEU 38 -1.642 2.127 0.833 288 HB3 LEU 38 HB3 LEU 38 -1.251 3.816 0.586 289 HG LEU 38 HG LEU 38 -0.260 2.828 -1.699 290 HD11 LEU 38 HD11 LEU 38 -1.359 0.562 -0.686 291 HD12 LEU 38 HD12 LEU 38 -1.109 0.877 -2.404 292 HD13 LEU 38 HD13 LEU 38 -2.684 1.182 -1.671 293 HD21 LEU 38 HD21 LEU 38 -2.431 4.361 -0.929 294 HD22 LEU 38 HD22 LEU 38 -3.135 3.106 -1.947 295 HD23 LEU 38 HD23 LEU 38 -1.843 4.128 -2.575 296 H LYS 39 H LYS 39 2.206 2.764 -0.984 297 HA LYS 39 HA LYS 39 2.021 0.096 -2.008 298 HB2 LYS 39 HB2 LYS 39 2.494 1.964 -3.509 299 HB3 LYS 39 HB3 LYS 39 3.968 2.322 -2.621 300 HG2 LYS 39 HG2 LYS 39 4.729 -0.022 -3.246 301 HG3 LYS 39 HG3 LYS 39 3.381 -0.031 -4.385 302 HD2 LYS 39 HD2 LYS 39 4.366 1.474 -5.769 303 HD3 LYS 39 HD3 LYS 39 5.144 2.342 -4.445 304 HE2 LYS 39 HE2 LYS 39 7.050 1.326 -4.963 305 HE3 LYS 39 HE3 LYS 39 6.317 -0.209 -4.499 306 HZ1 LYS 39 HZ1 LYS 39 7.293 0.079 -6.858 307 HZ2 LYS 39 HZ2 LYS 39 5.843 0.884 -7.191 308 HZ3 LYS 39 HZ3 LYS 39 5.816 -0.725 -6.670 309 H ARG 40 H ARG 40 4.095 1.840 0.177 310 HA ARG 40 HA ARG 40 6.090 -0.242 0.250 311 HB2 ARG 40 HB2 ARG 40 5.669 2.279 1.843 312 HB3 ARG 40 HB3 ARG 40 6.926 1.122 2.257 313 HG2 ARG 40 HG2 ARG 40 6.928 1.886 -0.559 314 HG3 ARG 40 HG3 ARG 40 7.202 3.234 0.545 315 HD2 ARG 40 HD2 ARG 40 9.243 1.919 -0.286 316 HD3 ARG 40 HD3 ARG 40 9.128 2.271 1.437 317 HE ARG 40 HE ARG 40 8.025 -0.279 0.689 318 HH11 ARG 40 HH11 ARG 40 10.924 1.429 1.618 319 HH12 ARG 40 HH12 ARG 40 11.718 0.011 2.215 320 HH21 ARG 40 HH21 ARG 40 9.068 -2.145 1.474 321 HH22 ARG 40 HH22 ARG 40 10.666 -2.018 2.132 322 H LEU 41 H LEU 41 3.235 0.617 2.000 323 HA LEU 41 HA LEU 41 3.763 -1.173 4.195 324 HB2 LEU 41 HB2 LEU 41 1.546 0.639 3.395 325 HB3 LEU 41 HB3 LEU 41 1.144 -0.703 4.450 326 HG LEU 41 HG LEU 41 2.735 0.081 6.115 327 HD11 LEU 41 HD11 LEU 41 3.568 1.842 3.906 328 HD12 LEU 41 HD12 LEU 41 4.508 1.150 5.228 329 HD13 LEU 41 HD13 LEU 41 3.518 2.582 5.506 330 HD21 LEU 41 HD21 LEU 41 1.329 2.601 5.510 331 HD22 LEU 41 HD22 LEU 41 1.330 1.622 6.977 332 HD23 LEU 41 HD23 LEU 41 0.322 1.156 5.607 333 H LEU 42 H LEU 42 2.288 -1.308 1.086 334 HA LEU 42 HA LEU 42 0.741 -3.655 1.510 335 HB2 LEU 42 HB2 LEU 42 1.370 -1.887 -0.693 336 HB3 LEU 42 HB3 LEU 42 1.432 -3.564 -1.201 337 HG LEU 42 HG LEU 42 -0.780 -2.454 -1.544 338 HD11 LEU 42 HD11 LEU 42 -0.598 -4.863 0.247 339 HD12 LEU 42 HD12 LEU 42 -0.738 -4.824 -1.510 340 HD13 LEU 42 HD13 LEU 42 -2.098 -4.322 -0.506 341 HD21 LEU 42 HD21 LEU 42 -1.948 -1.494 0.109 342 HD22 LEU 42 HD22 LEU 42 -0.407 -1.448 0.964 343 HD23 LEU 42 HD23 LEU 42 -1.542 -2.763 1.264 344 H ILE 43 H ILE 43 4.065 -3.000 0.799 345 HA ILE 43 HA ILE 43 4.818 -5.504 -0.243 346 HB ILE 43 HB ILE 43 6.591 -3.822 1.521 347 HG12 ILE 43 HG12 ILE 43 5.635 -2.271 -0.054 348 HG13 ILE 43 HG13 ILE 43 7.267 -2.647 -0.591 349 HG21 ILE 43 HG21 ILE 43 7.636 -5.850 0.968 350 HG22 ILE 43 HG22 ILE 43 8.298 -4.671 -0.165 351 HG23 ILE 43 HG23 ILE 43 7.048 -5.797 -0.694 352 HD11 ILE 43 HD11 ILE 43 6.418 -3.107 -2.578 353 HD12 ILE 43 HD12 ILE 43 4.770 -2.979 -1.963 354 HD13 ILE 43 HD13 ILE 43 5.632 -4.513 -1.859 355 H ASN 44 H ASN 44 4.174 -4.377 2.994 356 HA ASN 44 HA ASN 44 5.138 -6.876 4.155 357 HB2 ASN 44 HB2 ASN 44 4.465 -4.186 5.213 358 HB3 ASN 44 HB3 ASN 44 4.188 -5.556 6.285 359 HD21 ASN 44 HD21 ASN 44 6.685 -4.516 3.981 360 HD22 ASN 44 HD22 ASN 44 8.020 -4.816 5.036 361 H LYS 45 H LYS 45 2.217 -4.944 3.919 362 HA LYS 45 HA LYS 45 0.007 -5.431 4.132 363 HB2 LYS 45 HB2 LYS 45 0.815 -7.004 2.250 364 HB3 LYS 45 HB3 LYS 45 0.679 -8.279 3.451 365 HG2 LYS 45 HG2 LYS 45 -1.455 -8.475 2.899 366 HG3 LYS 45 HG3 LYS 45 -1.729 -6.878 3.599 367 HD2 LYS 45 HD2 LYS 45 -1.800 -5.851 1.570 368 HD3 LYS 45 HD3 LYS 45 -0.645 -6.970 0.843 369 HE2 LYS 45 HE2 LYS 45 -3.572 -7.434 1.382 370 HE3 LYS 45 HE3 LYS 45 -2.768 -7.340 -0.185 371 HZ1 LYS 45 HZ1 LYS 45 -2.919 -9.548 1.692 372 HZ2 LYS 45 HZ2 LYS 45 -1.416 -9.329 0.948 373 HZ3 LYS 45 HZ3 LYS 45 -2.799 -9.566 0.005 374 H GLY 46 H GLY 46 -0.217 -5.129 6.333 375 HA2 GLY 46 HA2 GLY 46 -0.940 -5.769 8.424 376 HA3 GLY 46 HA3 GLY 46 -1.043 -7.416 7.821 377 H GLN 47 H GLN 47 1.129 -4.999 9.182 378 HA GLN 47 HA GLN 47 2.559 -7.061 10.604 379 HB2 GLN 47 HB2 GLN 47 3.689 -5.739 8.219 380 HB3 GLN 47 HB3 GLN 47 4.746 -5.780 9.624 381 HG2 GLN 47 HG2 GLN 47 3.419 -8.319 8.984 382 HG3 GLN 47 HG3 GLN 47 4.570 -7.742 7.781 383 HE21 GLN 47 HE21 GLN 47 4.307 -8.037 11.310 384 HE22 GLN 47 HE22 GLN 47 5.915 -8.622 11.552 385 H LEU 48 H LEU 48 4.319 -6.054 11.998 386 HA LEU 48 HA LEU 48 3.236 -3.601 13.148 387 HB2 LEU 48 HB2 LEU 48 4.035 -5.869 14.343 388 HB3 LEU 48 HB3 LEU 48 5.544 -4.978 14.397 389 HG LEU 48 HG LEU 48 4.427 -4.602 16.464 390 HD11 LEU 48 HD11 LEU 48 3.662 -2.076 15.125 391 HD12 LEU 48 HD12 LEU 48 5.338 -2.600 14.963 392 HD13 LEU 48 HD13 LEU 48 4.644 -2.349 16.565 393 HD21 LEU 48 HD21 LEU 48 2.061 -4.638 14.809 394 HD22 LEU 48 HD22 LEU 48 2.069 -3.241 15.884 395 HD23 LEU 48 HD23 LEU 48 2.222 -4.867 16.550 396 H CYS 49 H CYS 49 3.989 -1.820 12.180 397 HA CYS 49 HA CYS 49 6.902 -1.600 11.779 398 HB2 CYS 49 HB2 CYS 49 4.608 -0.806 10.071 399 HB3 CYS 49 HB3 CYS 49 5.966 0.313 10.132 400 HG CYS 49 HG CYS 49 5.904 -2.298 8.627 401 H LEU 50 H LEU 50 7.618 0.774 11.755 402 HA LEU 50 HA LEU 50 6.341 2.123 14.037 403 HB2 LEU 50 HB2 LEU 50 9.165 2.379 13.000 404 HB3 LEU 50 HB3 LEU 50 8.510 3.234 14.382 405 HG LEU 50 HG LEU 50 9.822 1.433 15.218 406 HD11 LEU 50 HD11 LEU 50 7.182 0.139 15.501 407 HD12 LEU 50 HD12 LEU 50 7.288 1.833 15.981 408 HD13 LEU 50 HD13 LEU 50 8.344 0.637 16.731 409 HD21 LEU 50 HD21 LEU 50 8.190 -0.620 13.793 410 HD22 LEU 50 HD22 LEU 50 9.824 -0.736 14.447 411 HD23 LEU 50 HD23 LEU 50 9.532 0.162 12.957 412 H ARG 51 H ARG 51 6.765 4.578 14.007 413 HA ARG 51 HA ARG 51 5.669 5.581 11.529 414 HB2 ARG 51 HB2 ARG 51 5.020 6.230 13.985 415 HB3 ARG 51 HB3 ARG 51 6.372 7.342 13.836 416 HG2 ARG 51 HG2 ARG 51 5.145 8.002 11.602 417 HG3 ARG 51 HG3 ARG 51 3.745 7.351 12.455 418 HD2 ARG 51 HD2 ARG 51 5.500 9.234 13.931 419 HD3 ARG 51 HD3 ARG 51 4.487 9.900 12.652 420 HE ARG 51 HE ARG 51 2.610 9.451 13.921 421 HH11 ARG 51 HH11 ARG 51 5.428 8.041 15.432 422 HH12 ARG 51 HH12 ARG 51 4.614 7.713 16.923 423 HH21 ARG 51 HH21 ARG 51 1.545 9.019 15.885 424 HH22 ARG 51 HH22 ARG 51 2.413 8.267 17.181 425 H LYS 52 H LYS 52 8.212 6.876 13.606 426 HA LYS 52 HA LYS 52 9.433 8.501 11.770 427 HB2 LYS 52 HB2 LYS 52 10.875 6.925 13.902 428 HB3 LYS 52 HB3 LYS 52 11.440 8.407 13.143 429 HG2 LYS 52 HG2 LYS 52 9.235 9.416 14.073 430 HG3 LYS 52 HG3 LYS 52 9.267 8.019 15.151 431 HD2 LYS 52 HD2 LYS 52 10.604 9.222 16.472 432 HD3 LYS 52 HD3 LYS 52 11.857 8.995 15.252 433 HE2 LYS 52 HE2 LYS 52 11.785 11.141 14.632 434 HE3 LYS 52 HE3 LYS 52 10.022 11.157 14.595 435 HZ1 LYS 52 HZ1 LYS 52 11.842 11.903 16.744 436 HZ2 LYS 52 HZ2 LYS 52 10.414 11.124 17.204 437 HZ3 LYS 52 HZ3 LYS 52 10.343 12.562 16.316 438 H HIS 53 H HIS 53 10.087 5.111 12.373 439 HA HIS 53 HA HIS 53 12.195 4.811 10.535 440 HB2 HIS 53 HB2 HIS 53 11.580 3.152 12.295 441 HB3 HIS 53 HB3 HIS 53 10.157 2.741 11.346 442 HD1 HIS 53 HD1 HIS 53 13.716 1.981 11.720 443 HD2 HIS 53 HD2 HIS 53 10.798 1.487 8.802 444 HE1 HIS 53 HE1 HIS 53 14.655 0.294 10.110 445 HE2 HIS 53 HE2 HIS 53 12.910 0.077 8.306 446 H LEU 54 H LEU 54 8.750 4.908 10.181 447 HA LEU 54 HA LEU 54 8.518 3.774 7.626 448 HB2 LEU 54 HB2 LEU 54 6.771 4.787 9.461 449 HB3 LEU 54 HB3 LEU 54 6.719 6.022 8.218 450 HG LEU 54 HG LEU 54 6.482 3.651 6.793 451 HD11 LEU 54 HD11 LEU 54 5.129 3.443 9.453 452 HD12 LEU 54 HD12 LEU 54 6.041 2.223 8.565 453 HD13 LEU 54 HD13 LEU 54 4.429 2.688 8.022 454 HD21 LEU 54 HD21 LEU 54 5.144 5.294 5.998 455 HD22 LEU 54 HD22 LEU 54 4.727 5.885 7.607 456 HD23 LEU 54 HD23 LEU 54 3.934 4.447 6.963 457 H LEU 55 H LEU 55 9.551 6.885 8.735 458 HA LEU 55 HA LEU 55 9.293 8.383 6.385 459 HB2 LEU 55 HB2 LEU 55 11.363 8.552 8.575 460 HB3 LEU 55 HB3 LEU 55 11.191 9.741 7.305 461 HG LEU 55 HG LEU 55 9.409 10.741 8.286 462 HD11 LEU 55 HD11 LEU 55 7.592 9.705 9.363 463 HD12 LEU 55 HD12 LEU 55 8.515 8.238 9.680 464 HD13 LEU 55 HD13 LEU 55 8.022 8.630 8.034 465 HD21 LEU 55 HD21 LEU 55 11.009 10.915 10.003 466 HD22 LEU 55 HD22 LEU 55 10.735 9.256 10.535 467 HD23 LEU 55 HD23 LEU 55 9.498 10.483 10.802 468 H GLU 56 H GLU 56 11.578 5.988 7.378 469 HA GLU 56 HA GLU 56 13.538 6.547 5.382 470 HB2 GLU 56 HB2 GLU 56 13.132 3.998 6.950 471 HB3 GLU 56 HB3 GLU 56 14.600 4.501 6.126 472 HG2 GLU 56 HG2 GLU 56 14.493 6.551 7.697 473 HG3 GLU 56 HG3 GLU 56 13.400 5.549 8.650 474 H GLU 57 H GLU 57 10.577 4.803 5.432 475 HA GLU 57 HA GLU 57 11.265 3.262 3.059 476 HB2 GLU 57 HB2 GLU 57 8.524 3.354 4.281 477 HB3 GLU 57 HB3 GLU 57 9.285 2.048 3.386 478 HG2 GLU 57 HG2 GLU 57 10.929 1.978 5.391 479 HG3 GLU 57 HG3 GLU 57 9.652 2.852 6.235 480 H ILE 58 H ILE 58 9.555 6.103 3.974 481 HA ILE 58 HA ILE 58 8.336 6.389 1.348 482 HB ILE 58 HB ILE 58 8.275 8.446 3.542 483 HG12 ILE 58 HG12 ILE 58 7.532 6.127 4.312 484 HG13 ILE 58 HG13 ILE 58 6.372 7.427 4.518 485 HG21 ILE 58 HG21 ILE 58 7.545 8.989 1.191 486 HG22 ILE 58 HG22 ILE 58 6.340 9.268 2.448 487 HG23 ILE 58 HG23 ILE 58 6.227 7.839 1.421 488 HD11 ILE 58 HD11 ILE 58 6.064 4.965 3.157 489 HD12 ILE 58 HD12 ILE 58 5.917 6.267 1.978 490 HD13 ILE 58 HD13 ILE 58 4.878 6.246 3.404 491 H LYS 59 H LYS 59 11.095 7.363 3.138 492 HA LYS 59 HA LYS 59 11.750 9.624 1.483 493 HB2 LYS 59 HB2 LYS 59 12.489 9.564 3.814 494 HB3 LYS 59 HB3 LYS 59 13.403 8.094 3.502 495 HG2 LYS 59 HG2 LYS 59 14.769 9.388 1.855 496 HG3 LYS 59 HG3 LYS 59 13.940 10.844 2.408 497 HD2 LYS 59 HD2 LYS 59 15.092 10.917 4.346 498 HD3 LYS 59 HD3 LYS 59 15.078 9.162 4.538 499 HE2 LYS 59 HE2 LYS 59 16.823 9.011 2.780 500 HE3 LYS 59 HE3 LYS 59 16.886 10.772 2.741 501 HZ1 LYS 59 HZ1 LYS 59 17.697 10.840 4.940 502 HZ2 LYS 59 HZ2 LYS 59 18.608 9.653 4.151 503 HZ3 LYS 59 HZ3 LYS 59 17.366 9.202 5.207 504 H ASN 60 H ASN 60 12.522 6.199 1.661 505 HA ASN 60 HA ASN 60 14.612 6.290 -0.273 506 HB2 ASN 60 HB2 ASN 60 13.799 4.412 1.504 507 HB3 ASN 60 HB3 ASN 60 13.085 3.775 0.025 508 HD21 ASN 60 HD21 ASN 60 14.900 4.411 -1.861 509 HD22 ASN 60 HD22 ASN 60 16.401 3.615 -1.550 510 H HIS 61 H HIS 61 11.272 6.604 -0.457 511 HA HIS 61 HA HIS 61 11.327 6.198 -3.337 512 HB2 HIS 61 HB2 HIS 61 10.090 4.406 -1.775 513 HB3 HIS 61 HB3 HIS 61 8.794 5.587 -1.911 514 HD1 HIS 61 HD1 HIS 61 8.624 6.367 -4.700 515 HD2 HIS 61 HD2 HIS 61 9.747 2.506 -3.650 516 HE1 HIS 61 HE1 HIS 61 8.154 4.955 -6.728 517 HE2 HIS 61 HE2 HIS 61 8.789 2.613 -6.051 518 H ALA 62 H ALA 62 11.796 8.620 -2.547 519 HA ALA 62 HA ALA 62 11.140 10.789 -2.731 520 HB1 ALA 62 HB1 ALA 62 8.712 11.103 -3.677 521 HB2 ALA 62 HB2 ALA 62 8.865 9.384 -4.045 522 HB3 ALA 62 HB3 ALA 62 10.021 10.535 -4.715 523 H LYS 63 H LYS 63 11.084 11.525 -0.681 524 HA LYS 63 HA LYS 63 9.053 10.786 1.194 525 HB2 LYS 63 HB2 LYS 63 10.084 12.639 2.576 526 HB3 LYS 63 HB3 LYS 63 11.177 11.348 2.102 527 HG2 LYS 63 HG2 LYS 63 12.544 12.832 1.201 528 HG3 LYS 63 HG3 LYS 63 11.272 13.334 0.086 529 HD2 LYS 63 HD2 LYS 63 10.512 14.588 2.382 530 HD3 LYS 63 HD3 LYS 63 12.271 14.632 2.521 531 HE2 LYS 63 HE2 LYS 63 12.499 16.079 0.807 532 HE3 LYS 63 HE3 LYS 63 11.205 15.332 -0.129 533 HZ1 LYS 63 HZ1 LYS 63 9.599 16.580 0.938 534 HZ2 LYS 63 HZ2 LYS 63 10.866 17.690 0.788 535 HZ3 LYS 63 HZ3 LYS 63 10.582 16.927 2.271 536 H ALA 64 H ALA 64 7.435 11.464 -0.645 537 HA ALA 64 HA ALA 64 5.749 12.833 -1.325 538 HB1 ALA 64 HB1 ALA 64 4.908 12.869 0.838 539 HB2 ALA 64 HB2 ALA 64 5.060 14.583 0.452 540 HB3 ALA 64 HB3 ALA 64 6.273 13.795 1.462 541 H ILE 65 H ILE 65 6.460 13.936 -3.079 542 HA ILE 65 HA ILE 65 8.217 16.230 -2.732 543 HB ILE 65 HB ILE 65 8.634 14.618 -4.571 544 HG12 ILE 65 HG12 ILE 65 8.254 16.756 -6.349 545 HG13 ILE 65 HG13 ILE 65 8.465 17.502 -4.768 546 HG21 ILE 65 HG21 ILE 65 6.487 15.713 -6.253 547 HG22 ILE 65 HG22 ILE 65 5.961 14.629 -4.965 548 HG23 ILE 65 HG23 ILE 65 7.137 14.077 -6.158 549 HD11 ILE 65 HD11 ILE 65 10.355 15.417 -5.793 550 HD12 ILE 65 HD12 ILE 65 10.600 16.595 -4.503 551 HD13 ILE 65 HD13 ILE 65 10.540 17.127 -6.183 552 H VAL 66 H VAL 66 5.609 16.453 -1.651 553 HA VAL 66 HA VAL 66 4.863 18.981 -2.646 554 HB VAL 66 HB VAL 66 3.925 17.543 -4.454 555 HG11 VAL 66 HG11 VAL 66 1.762 16.675 -2.599 556 HG12 VAL 66 HG12 VAL 66 3.262 15.749 -2.667 557 HG13 VAL 66 HG13 VAL 66 2.292 15.967 -4.124 558 HG21 VAL 66 HG21 VAL 66 2.778 19.475 -4.561 559 HG22 VAL 66 HG22 VAL 66 2.437 19.485 -2.830 560 HG23 VAL 66 HG23 VAL 66 1.448 18.511 -3.918 561 H ALA 67 H ALA 67 5.484 17.899 -0.135 562 HA ALA 67 HA ALA 67 3.182 18.773 1.363 563 HB1 ALA 67 HB1 ALA 67 2.889 16.770 2.678 564 HB2 ALA 67 HB2 ALA 67 4.179 15.959 1.789 565 HB3 ALA 67 HB3 ALA 67 2.677 16.385 0.969 566 H ARG 68 H ARG 68 3.806 18.078 3.874 567 HA ARG 68 HA ARG 68 6.485 19.229 4.239 568 HB2 ARG 68 HB2 ARG 68 5.704 20.015 6.416 569 HB3 ARG 68 HB3 ARG 68 4.657 20.596 5.128 570 HG2 ARG 68 HG2 ARG 68 3.406 18.289 5.829 571 HG3 ARG 68 HG3 ARG 68 4.073 18.813 7.376 572 HD2 ARG 68 HD2 ARG 68 2.940 21.063 6.018 573 HD3 ARG 68 HD3 ARG 68 1.759 19.755 6.065 574 HE ARG 68 HE ARG 68 2.906 20.026 8.608 575 HH11 ARG 68 HH11 ARG 68 0.791 21.759 6.440 576 HH12 ARG 68 HH12 ARG 68 -0.066 22.558 7.714 577 HH21 ARG 68 HH21 ARG 68 1.779 21.075 10.286 578 HH22 ARG 68 HH22 ARG 68 0.494 22.171 9.898 579 H ASN 69 H ASN 69 4.458 16.533 4.973 580 HA ASN 69 HA ASN 69 6.727 15.085 6.039 581 HB2 ASN 69 HB2 ASN 69 4.209 15.407 7.686 582 HB3 ASN 69 HB3 ASN 69 5.583 14.383 8.091 583 HD21 ASN 69 HD21 ASN 69 4.163 17.174 8.848 584 HD22 ASN 69 HD22 ASN 69 5.529 18.096 9.366 585 H VAL 70 H VAL 70 5.742 12.782 6.813 586 HA VAL 70 HA VAL 70 4.415 11.788 4.428 587 HB VAL 70 HB VAL 70 6.406 10.602 5.206 588 HG11 VAL 70 HG11 VAL 70 5.479 11.047 7.727 589 HG12 VAL 70 HG12 VAL 70 6.763 9.914 7.304 590 HG13 VAL 70 HG13 VAL 70 5.109 9.336 7.504 591 HG21 VAL 70 HG21 VAL 70 5.017 8.313 5.666 592 HG22 VAL 70 HG22 VAL 70 5.303 9.013 4.072 593 HG23 VAL 70 HG23 VAL 70 3.784 9.322 4.910 594 H ASP 71 H ASP 71 3.826 12.160 7.837 595 HA ASP 71 HA ASP 71 1.543 10.521 8.021 596 HB2 ASP 71 HB2 ASP 71 2.911 12.460 9.710 597 HB3 ASP 71 HB3 ASP 71 1.162 12.534 9.900 598 H VAL 72 H VAL 72 2.016 13.789 6.961 599 HA VAL 72 HA VAL 72 -0.806 14.392 6.886 600 HB VAL 72 HB VAL 72 1.276 15.985 5.421 601 HG11 VAL 72 HG11 VAL 72 -1.410 16.294 5.666 602 HG12 VAL 72 HG12 VAL 72 -0.277 17.607 5.349 603 HG13 VAL 72 HG13 VAL 72 -0.826 17.296 6.995 604 HG21 VAL 72 HG21 VAL 72 1.062 17.209 7.880 605 HG22 VAL 72 HG22 VAL 72 2.429 16.247 7.318 606 HG23 VAL 72 HG23 VAL 72 1.164 15.497 8.291 607 H HIS 73 H HIS 73 1.523 12.941 4.836 608 HA HIS 73 HA HIS 73 0.076 13.406 2.392 609 HB2 HIS 73 HB2 HIS 73 2.687 12.642 3.025 610 HB3 HIS 73 HB3 HIS 73 1.978 11.216 2.275 611 HD1 HIS 73 HD1 HIS 73 1.372 14.840 1.332 612 HD2 HIS 73 HD2 HIS 73 3.025 11.365 -0.237 613 HE1 HIS 73 HE1 HIS 73 1.935 15.382 -1.057 614 HE2 HIS 73 HE2 HIS 73 2.859 13.241 -2.010 615 H ILE 74 H ILE 74 0.200 11.008 4.887 616 HA ILE 74 HA ILE 74 -1.093 8.947 3.391 617 HB ILE 74 HB ILE 74 -0.750 9.300 6.370 618 HG12 ILE 74 HG12 ILE 74 0.733 7.822 4.216 619 HG13 ILE 74 HG13 ILE 74 1.367 8.880 5.469 620 HG21 ILE 74 HG21 ILE 74 -2.743 7.965 5.929 621 HG22 ILE 74 HG22 ILE 74 -1.451 6.958 6.581 622 HG23 ILE 74 HG23 ILE 74 -1.817 6.915 4.857 623 HD11 ILE 74 HD11 ILE 74 2.047 6.852 6.249 624 HD12 ILE 74 HD12 ILE 74 0.644 6.006 5.596 625 HD13 ILE 74 HD13 ILE 74 0.484 6.983 7.056 626 H ALA 75 H ALA 75 -2.130 11.702 5.209 627 HA ALA 75 HA ALA 75 -4.811 10.871 5.616 628 HB1 ALA 75 HB1 ALA 75 -5.230 13.297 6.065 629 HB2 ALA 75 HB2 ALA 75 -3.541 13.597 5.655 630 HB3 ALA 75 HB3 ALA 75 -3.946 12.581 7.039 631 H SER 76 H SER 76 -3.196 12.827 3.198 632 HA SER 76 HA SER 76 -5.562 13.389 1.707 633 HB2 SER 76 HB2 SER 76 -3.535 14.808 1.544 634 HB3 SER 76 HB3 SER 76 -2.671 13.464 0.799 635 HG SER 76 HG SER 76 -3.949 13.625 -0.983 636 H LEU 77 H LEU 77 -3.304 10.791 1.857 637 HA LEU 77 HA LEU 77 -3.855 9.594 -0.633 638 HB2 LEU 77 HB2 LEU 77 -1.905 8.947 0.665 639 HB3 LEU 77 HB3 LEU 77 -2.931 8.379 1.969 640 HG LEU 77 HG LEU 77 -3.798 6.596 0.534 641 HD11 LEU 77 HD11 LEU 77 -3.735 7.487 -1.631 642 HD12 LEU 77 HD12 LEU 77 -2.527 6.203 -1.637 643 HD13 LEU 77 HD13 LEU 77 -2.022 7.887 -1.510 644 HD21 LEU 77 HD21 LEU 77 -1.236 5.723 0.024 645 HD22 LEU 77 HD22 LEU 77 -2.121 5.522 1.536 646 HD23 LEU 77 HD23 LEU 77 -1.017 6.882 1.335 647 H ARG 78 H ARG 78 -5.373 9.506 2.497 648 HA ARG 78 HA ARG 78 -7.076 7.323 2.152 649 HB2 ARG 78 HB2 ARG 78 -6.732 8.512 4.298 650 HB3 ARG 78 HB3 ARG 78 -7.646 9.875 3.668 651 HG2 ARG 78 HG2 ARG 78 -9.390 7.822 3.274 652 HG3 ARG 78 HG3 ARG 78 -8.575 7.325 4.758 653 HD2 ARG 78 HD2 ARG 78 -9.122 9.431 5.809 654 HD3 ARG 78 HD3 ARG 78 -9.829 10.031 4.310 655 HE ARG 78 HE ARG 78 -11.743 8.882 4.799 656 HH11 ARG 78 HH11 ARG 78 -9.152 7.627 6.772 657 HH12 ARG 78 HH12 ARG 78 -10.193 6.617 7.718 658 HH21 ARG 78 HH21 ARG 78 -13.114 7.555 6.043 659 HH22 ARG 78 HH22 ARG 78 -12.443 6.577 7.305 660 H LYS 79 H LYS 79 -7.125 10.455 0.726 661 HA LYS 79 HA LYS 79 -9.902 10.396 0.007 662 HB2 LYS 79 HB2 LYS 79 -8.124 12.407 0.238 663 HB3 LYS 79 HB3 LYS 79 -8.065 12.149 -1.500 664 HG2 LYS 79 HG2 LYS 79 -10.709 12.205 -1.189 665 HG3 LYS 79 HG3 LYS 79 -10.248 13.201 0.193 666 HD2 LYS 79 HD2 LYS 79 -10.581 14.677 -1.640 667 HD3 LYS 79 HD3 LYS 79 -8.837 14.556 -1.392 668 HE2 LYS 79 HE2 LYS 79 -8.498 13.447 -3.347 669 HE3 LYS 79 HE3 LYS 79 -10.061 12.634 -3.282 670 HZ1 LYS 79 HZ1 LYS 79 -10.152 15.510 -3.661 671 HZ2 LYS 79 HZ2 LYS 79 -11.065 14.291 -4.396 672 HZ3 LYS 79 HZ3 LYS 79 -9.504 14.628 -4.951 673 H LYS 80 H LYS 80 -6.872 9.904 -1.695 674 HA LYS 80 HA LYS 80 -8.208 9.168 -4.126 675 HB2 LYS 80 HB2 LYS 80 -5.278 8.868 -3.519 676 HB3 LYS 80 HB3 LYS 80 -6.042 8.970 -5.099 677 HG2 LYS 80 HG2 LYS 80 -6.759 11.307 -3.702 678 HG3 LYS 80 HG3 LYS 80 -5.030 11.064 -3.449 679 HD2 LYS 80 HD2 LYS 80 -4.530 11.488 -5.605 680 HD3 LYS 80 HD3 LYS 80 -5.950 10.629 -6.206 681 HE2 LYS 80 HE2 LYS 80 -6.086 12.997 -6.744 682 HE3 LYS 80 HE3 LYS 80 -7.356 12.541 -5.608 683 HZ1 LYS 80 HZ1 LYS 80 -4.872 13.509 -4.443 684 HZ2 LYS 80 HZ2 LYS 80 -6.472 13.800 -3.978 685 HZ3 LYS 80 HZ3 LYS 80 -5.799 14.657 -5.272 686 H LEU 81 H LEU 81 -6.142 7.563 -1.788 687 HA LEU 81 HA LEU 81 -6.134 5.002 -2.845 688 HB2 LEU 81 HB2 LEU 81 -4.679 5.601 -1.029 689 HB3 LEU 81 HB3 LEU 81 -6.040 5.925 0.023 690 HG LEU 81 HG LEU 81 -6.485 3.662 0.369 691 HD11 LEU 81 HD11 LEU 81 -4.974 2.006 -1.103 692 HD12 LEU 81 HD12 LEU 81 -5.205 3.313 -2.265 693 HD13 LEU 81 HD13 LEU 81 -6.604 2.501 -1.560 694 HD21 LEU 81 HD21 LEU 81 -3.758 4.560 0.579 695 HD22 LEU 81 HD22 LEU 81 -3.821 2.816 0.323 696 HD23 LEU 81 HD23 LEU 81 -4.693 3.541 1.673 697 H GLY 82 H GLY 82 -8.141 5.959 -0.049 698 HA2 GLY 82 HA2 GLY 82 -10.598 5.637 -0.310 699 HA3 GLY 82 HA3 GLY 82 -10.204 4.099 -1.060 700 H ALA 83 H ALA 83 -11.027 2.632 0.303 701 HA ALA 83 HA ALA 83 -11.107 2.917 3.113 702 HB1 ALA 83 HB1 ALA 83 -12.707 1.443 2.492 703 HB2 ALA 83 HB2 ALA 83 -11.428 0.276 2.828 704 HB3 ALA 83 HB3 ALA 83 -11.744 0.786 1.169 705 H TYR 84 H TYR 84 -8.601 1.962 1.002 706 HA TYR 84 HA TYR 84 -7.200 0.281 2.849 707 HB2 TYR 84 HB2 TYR 84 -7.033 0.665 0.153 708 HB3 TYR 84 HB3 TYR 84 -5.628 1.561 0.717 709 HD1 TYR 84 HD1 TYR 84 -4.100 0.287 2.428 710 HD2 TYR 84 HD2 TYR 84 -6.828 -1.610 -0.227 711 HE1 TYR 84 HE1 TYR 84 -2.834 -1.811 2.637 712 HE2 TYR 84 HE2 TYR 84 -5.571 -3.714 -0.026 713 HH TYR 84 HH TYR 84 -3.124 -4.174 2.339 714 H GLY 85 H GLY 85 -7.457 3.683 2.349 715 HA2 GLY 85 HA2 GLY 85 -4.948 4.486 3.389 716 HA3 GLY 85 HA3 GLY 85 -6.404 5.469 3.352 717 H SER 86 H SER 86 -8.006 3.643 4.878 718 HA SER 86 HA SER 86 -7.245 4.489 7.505 719 HB2 SER 86 HB2 SER 86 -9.639 3.960 6.365 720 HB3 SER 86 HB3 SER 86 -9.363 2.438 7.212 721 HG SER 86 HG SER 86 -10.338 4.550 8.270 722 H ARG 87 H ARG 87 -6.520 1.790 5.564 723 HA ARG 87 HA ARG 87 -6.368 -0.325 7.342 724 HB2 ARG 87 HB2 ARG 87 -5.642 0.068 4.749 725 HB3 ARG 87 HB3 ARG 87 -4.073 -0.111 5.524 726 HG2 ARG 87 HG2 ARG 87 -4.421 -2.289 5.218 727 HG3 ARG 87 HG3 ARG 87 -5.450 -2.162 6.638 728 HD2 ARG 87 HD2 ARG 87 -6.451 -1.766 3.826 729 HD3 ARG 87 HD3 ARG 87 -6.473 -3.325 4.647 730 HE ARG 87 HE ARG 87 -7.743 -1.668 6.381 731 HH11 ARG 87 HH11 ARG 87 -8.190 -2.438 3.007 732 HH12 ARG 87 HH12 ARG 87 -9.898 -2.157 3.040 733 HH21 ARG 87 HH21 ARG 87 -9.989 -1.297 6.427 734 HH22 ARG 87 HH22 ARG 87 -10.920 -1.508 4.982 735 H ILE 88 H ILE 88 -4.048 2.292 6.793 736 HA ILE 88 HA ILE 88 -2.021 1.316 8.498 737 HB ILE 88 HB ILE 88 -2.612 4.217 7.904 738 HG12 ILE 88 HG12 ILE 88 -0.556 3.364 6.228 739 HG13 ILE 88 HG13 ILE 88 -1.734 2.056 6.160 740 HG21 ILE 88 HG21 ILE 88 -0.106 4.386 8.151 741 HG22 ILE 88 HG22 ILE 88 -0.146 2.750 8.808 742 HG23 ILE 88 HG23 ILE 88 -1.002 4.052 9.633 743 HD11 ILE 88 HD11 ILE 88 -1.943 3.901 4.438 744 HD12 ILE 88 HD12 ILE 88 -2.512 4.923 5.758 745 HD13 ILE 88 HD13 ILE 88 -3.406 3.466 5.322 746 H VAL 89 H VAL 89 -2.492 0.761 10.554 747 HA VAL 89 HA VAL 89 -4.204 2.522 12.148 748 HB VAL 89 HB VAL 89 -3.081 -0.155 12.965 749 HG11 VAL 89 HG11 VAL 89 -5.100 1.732 14.086 750 HG12 VAL 89 HG12 VAL 89 -3.825 0.828 14.905 751 HG13 VAL 89 HG13 VAL 89 -5.285 0.000 14.363 752 HG21 VAL 89 HG21 VAL 89 -5.581 0.524 11.444 753 HG22 VAL 89 HG22 VAL 89 -5.438 -0.954 12.396 754 HG23 VAL 89 HG23 VAL 89 -4.338 -0.663 11.049 755 H THR 90 H THR 90 -3.399 3.900 13.577 756 HA THR 90 HA THR 90 -0.562 3.684 14.299 757 HB THR 90 HB THR 90 -2.380 6.065 14.686 758 HG1 THR 90 HG1 THR 90 -2.298 6.128 12.583 759 HG21 THR 90 HG21 THR 90 0.400 5.550 15.291 760 HG22 THR 90 HG22 THR 90 -0.639 6.891 15.776 761 HG23 THR 90 HG23 THR 90 0.193 6.937 14.222 762 H LEU 91 H LEU 91 -0.840 2.102 15.918 763 HA LEU 91 HA LEU 91 -2.631 2.495 18.112 764 HB2 LEU 91 HB2 LEU 91 -0.393 0.580 17.542 765 HB3 LEU 91 HB3 LEU 91 -1.153 0.627 19.121 766 HG LEU 91 HG LEU 91 -3.055 0.423 16.894 767 HD11 LEU 91 HD11 LEU 91 -1.784 -1.057 15.750 768 HD12 LEU 91 HD12 LEU 91 -2.419 -2.171 16.960 769 HD13 LEU 91 HD13 LEU 91 -0.809 -1.479 17.158 770 HD21 LEU 91 HD21 LEU 91 -4.072 -1.214 18.355 771 HD22 LEU 91 HD22 LEU 91 -3.646 0.227 19.279 772 HD23 LEU 91 HD23 LEU 91 -2.643 -1.220 19.389 773 H ARG 92 H ARG 92 -2.341 3.685 19.875 774 HA ARG 92 HA ARG 92 0.072 5.171 20.262 775 HB2 ARG 92 HB2 ARG 92 -2.623 5.325 21.150 776 HB3 ARG 92 HB3 ARG 92 -1.606 5.266 22.582 777 HG2 ARG 92 HG2 ARG 92 -2.033 7.556 21.903 778 HG3 ARG 92 HG3 ARG 92 -0.318 7.165 21.759 779 HD2 ARG 92 HD2 ARG 92 -0.993 6.559 19.295 780 HD3 ARG 92 HD3 ARG 92 -2.351 7.632 19.627 781 HE ARG 92 HE ARG 92 0.399 8.379 19.242 782 HH11 ARG 92 HH11 ARG 92 -2.655 9.321 20.648 783 HH12 ARG 92 HH12 ARG 92 -2.280 11.011 20.637 784 HH21 ARG 92 HH21 ARG 92 0.892 10.602 19.227 785 HH22 ARG 92 HH22 ARG 92 -0.267 11.739 19.830 786 H GLY 93 H GLY 93 1.373 3.120 20.360 787 HA2 GLY 93 HA2 GLY 93 2.631 2.710 22.696 788 HA3 GLY 93 HA3 GLY 93 1.242 1.644 22.853 789 H VAL 94 H VAL 94 1.152 1.022 20.006 790 HA VAL 94 HA VAL 94 3.307 -0.956 19.982 791 HB VAL 94 HB VAL 94 1.068 -0.842 17.979 792 HG11 VAL 94 HG11 VAL 94 2.730 -3.092 19.106 793 HG12 VAL 94 HG12 VAL 94 2.894 -2.364 17.508 794 HG13 VAL 94 HG13 VAL 94 1.439 -3.273 17.918 795 HG21 VAL 94 HG21 VAL 94 0.802 -1.285 20.820 796 HG22 VAL 94 HG22 VAL 94 0.340 -2.722 19.908 797 HG23 VAL 94 HG23 VAL 94 -0.444 -1.178 19.577 798 H GLY 95 H GLY 95 1.861 1.548 17.925 799 HA2 GLY 95 HA2 GLY 95 3.640 2.963 16.822 800 HA3 GLY 95 HA3 GLY 95 4.277 1.437 16.230 801 H TYR 96 H TYR 96 3.683 0.856 14.259 802 HA TYR 96 HA TYR 96 1.167 1.946 13.179 803 HB2 TYR 96 HB2 TYR 96 3.903 2.050 12.127 804 HB3 TYR 96 HB3 TYR 96 2.726 1.458 10.959 805 HD1 TYR 96 HD1 TYR 96 2.484 4.073 13.618 806 HD2 TYR 96 HD2 TYR 96 2.277 3.167 9.466 807 HE1 TYR 96 HE1 TYR 96 1.792 6.387 13.153 808 HE2 TYR 96 HE2 TYR 96 1.585 5.477 8.990 809 HH TYR 96 HH TYR 96 1.778 7.972 11.313 810 H LEU 97 H LEU 97 -0.235 0.307 13.088 811 HA LEU 97 HA LEU 97 0.737 -2.285 12.077 812 HB2 LEU 97 HB2 LEU 97 -0.071 -2.174 14.489 813 HB3 LEU 97 HB3 LEU 97 -1.675 -1.899 13.837 814 HG LEU 97 HG LEU 97 -1.160 -4.272 14.509 815 HD11 LEU 97 HD11 LEU 97 -2.920 -3.495 12.832 816 HD12 LEU 97 HD12 LEU 97 -2.445 -5.192 12.787 817 HD13 LEU 97 HD13 LEU 97 -1.808 -4.067 11.588 818 HD21 LEU 97 HD21 LEU 97 0.478 -5.481 13.563 819 HD22 LEU 97 HD22 LEU 97 1.176 -3.909 13.174 820 HD23 LEU 97 HD23 LEU 97 0.221 -4.772 11.968 821 H PHE 98 H PHE 98 0.324 -1.451 9.931 822 HA PHE 98 HA PHE 98 -2.292 -0.695 9.121 823 HB2 PHE 98 HB2 PHE 98 -1.352 -1.156 6.780 824 HB3 PHE 98 HB3 PHE 98 -0.570 0.102 7.728 825 HD1 PHE 98 HD1 PHE 98 1.663 -0.234 8.638 826 HD2 PHE 98 HD2 PHE 98 -0.220 -3.205 6.245 827 HE1 PHE 98 HE1 PHE 98 3.834 -1.345 8.318 828 HE2 PHE 98 HE2 PHE 98 1.946 -4.326 5.925 829 HZ PHE 98 HZ PHE 98 3.977 -3.395 6.962 830 H SER 99 H SER 99 -3.289 -2.555 10.301 831 HA SER 99 HA SER 99 -3.059 -5.193 9.285 832 HB2 SER 99 HB2 SER 99 -5.476 -5.238 10.493 833 HB3 SER 99 HB3 SER 99 -3.951 -5.327 11.375 834 HG SER 99 HG SER 99 -5.495 -2.997 10.879 835 H ASP 100 H ASP 100 -3.711 -5.878 7.371 836 HA ASP 100 HA ASP 100 -5.990 -4.553 6.083 837 HB2 ASP 100 HB2 ASP 100 -3.939 -4.446 4.781 838 HB3 ASP 100 HB3 ASP 100 -3.755 -6.190 4.878 839 H ASP 101 H ASP 101 -4.618 -7.732 5.544 840 HA ASP 101 HA ASP 101 -7.005 -9.026 6.533 841 HB2 ASP 101 HB2 ASP 101 -6.931 -8.407 3.881 842 HB3 ASP 101 HB3 ASP 101 -6.222 -10.019 3.873 843 H GLY 102 H GLY 102 -4.065 -9.706 4.628 844 HA2 GLY 102 HA2 GLY 102 -2.262 -10.889 5.877 845 HA3 GLY 102 HA3 GLY 102 -3.530 -11.939 6.491 846 H ASP 103 H ASP 103 -4.953 -12.152 3.990 847 HA ASP 103 HA ASP 103 -3.657 -14.386 2.898 848 HB2 ASP 103 HB2 ASP 103 -6.097 -12.866 2.381 849 HB3 ASP 103 HB3 ASP 103 -5.391 -13.533 0.912 850 H LYS 104 H LYS 104 -1.528 -13.720 2.398 851 HA LYS 104 HA LYS 104 -0.873 -11.610 0.667 852 HB2 LYS 104 HB2 LYS 104 0.499 -13.885 1.885 853 HB3 LYS 104 HB3 LYS 104 1.138 -13.472 0.301 854 HG2 LYS 104 HG2 LYS 104 2.189 -11.691 1.101 855 HG3 LYS 104 HG3 LYS 104 0.730 -11.108 1.904 856 HD2 LYS 104 HD2 LYS 104 1.988 -13.426 3.191 857 HD3 LYS 104 HD3 LYS 104 2.979 -11.966 3.183 858 HE2 LYS 104 HE2 LYS 104 0.140 -11.629 3.927 859 HE3 LYS 104 HE3 LYS 104 1.152 -12.504 5.075 860 HZ1 LYS 104 HZ1 LYS 104 1.061 -10.079 5.465 861 HZ2 LYS 104 HZ2 LYS 104 1.817 -9.829 3.973 862 HZ3 LYS 104 HZ3 LYS 104 2.632 -10.651 5.205 863 H LYS 105 H LYS 105 0.651 -12.517 -1.366 864 HA LYS 105 HA LYS 105 -0.915 -14.349 -2.965 865 HB2 LYS 105 HB2 LYS 105 -0.422 -11.476 -3.739 866 HB3 LYS 105 HB3 LYS 105 -0.921 -12.713 -4.883 867 HG2 LYS 105 HG2 LYS 105 -2.515 -12.141 -2.412 868 HG3 LYS 105 HG3 LYS 105 -2.717 -11.192 -3.886 869 HD2 LYS 105 HD2 LYS 105 -2.726 -14.033 -4.443 870 HD3 LYS 105 HD3 LYS 105 -3.964 -13.602 -3.262 871 HE2 LYS 105 HE2 LYS 105 -3.672 -11.899 -5.682 872 HE3 LYS 105 HE3 LYS 105 -4.417 -13.486 -5.867 873 HZ1 LYS 105 HZ1 LYS 105 -6.026 -12.887 -4.164 874 HZ2 LYS 105 HZ2 LYS 105 -6.070 -11.780 -5.443 875 HZ3 LYS 105 HZ3 LYS 105 -5.310 -11.363 -3.991 876 H PHE 106 H PHE 106 1.179 -15.440 -2.372 877 HA PHE 106 HA PHE 106 3.573 -14.551 -3.642 878 HB2 PHE 106 HB2 PHE 106 3.220 -16.113 -1.547 879 HB3 PHE 106 HB3 PHE 106 3.204 -17.383 -2.766 880 HD1 PHE 106 HD1 PHE 106 5.222 -14.267 -2.416 881 HD2 PHE 106 HD2 PHE 106 5.200 -18.514 -2.688 882 HE1 PHE 106 HE1 PHE 106 7.682 -14.274 -2.433 883 HE2 PHE 106 HE2 PHE 106 7.661 -18.529 -2.705 884 HZ PHE 106 HZ PHE 106 8.905 -16.408 -2.577 885 H SER 107 H SER 107 3.865 -14.623 -5.768 886 HA SER 107 HA SER 107 2.303 -16.172 -7.531 887 HB2 SER 107 HB2 SER 107 4.438 -14.217 -7.734 888 HB3 SER 107 HB3 SER 107 4.640 -15.508 -8.917 889 HG SER 107 HG SER 107 3.205 -13.553 -9.375 890 H GLN 108 H GLN 108 2.525 -18.295 -6.576 891 HA GLN 108 HA GLN 108 4.966 -19.675 -6.398 892 HB2 GLN 108 HB2 GLN 108 2.126 -20.650 -6.688 893 HB3 GLN 108 HB3 GLN 108 3.489 -21.735 -6.456 894 HG2 GLN 108 HG2 GLN 108 3.860 -21.022 -4.290 895 HG3 GLN 108 HG3 GLN 108 3.017 -19.494 -4.542 896 HE21 GLN 108 HE21 GLN 108 0.678 -19.609 -4.839 897 HE22 GLN 108 HE22 GLN 108 -0.209 -20.828 -3.994 898 H GLN 109 H GLN 109 2.419 -20.659 -8.661 899 HA GLN 109 HA GLN 109 4.240 -21.820 -10.472 900 HB2 GLN 109 HB2 GLN 109 1.599 -22.079 -10.098 901 HB3 GLN 109 HB3 GLN 109 1.573 -20.969 -11.462 902 HG2 GLN 109 HG2 GLN 109 2.564 -22.494 -12.891 903 HG3 GLN 109 HG3 GLN 109 3.238 -23.447 -11.569 904 HE21 GLN 109 HE21 GLN 109 1.595 -24.250 -13.864 905 HE22 GLN 109 HE22 GLN 109 0.209 -25.038 -13.197 906 H ASP 110 H ASP 110 4.127 -21.189 -12.894 907 HA ASP 110 HA ASP 110 4.695 -18.309 -13.072 908 HB2 ASP 110 HB2 ASP 110 6.618 -19.803 -13.513 909 HB3 ASP 110 HB3 ASP 110 5.718 -20.546 -14.833 910 H THR 111 H THR 111 2.679 -20.826 -14.227 911 HA THR 111 HA THR 111 1.109 -18.971 -15.731 912 HB THR 111 HB THR 111 1.253 -20.738 -17.739 913 HG1 THR 111 HG1 THR 111 3.895 -20.677 -16.721 914 HG21 THR 111 HG21 THR 111 2.213 -18.140 -17.328 915 HG22 THR 111 HG22 THR 111 1.944 -18.969 -18.861 916 HG23 THR 111 HG23 THR 111 3.526 -19.043 -18.084 917 H LYS 112 H LYS 112 -0.678 -20.367 -16.973 918 HA LYS 112 HA LYS 112 -1.379 -22.818 -15.679 919 HB2 LYS 112 HB2 LYS 112 -2.762 -20.256 -14.962 920 HB3 LYS 112 HB3 LYS 112 -3.643 -21.777 -14.930 921 HG2 LYS 112 HG2 LYS 112 -2.947 -21.859 -12.804 922 HG3 LYS 112 HG3 LYS 112 -1.443 -22.448 -13.512 923 HD2 LYS 112 HD2 LYS 112 -0.454 -20.744 -12.455 924 HD3 LYS 112 HD3 LYS 112 -1.184 -19.710 -13.684 925 HE2 LYS 112 HE2 LYS 112 -3.110 -19.331 -12.256 926 HE3 LYS 112 HE3 LYS 112 -2.452 -20.430 -11.043 927 HZ1 LYS 112 HZ1 LYS 112 -0.912 -18.072 -11.918 928 HZ2 LYS 112 HZ2 LYS 112 -0.799 -18.938 -10.470 929 HZ3 LYS 112 HZ3 LYS 112 -2.120 -17.918 -10.743 930 H LEU 113 H LEU 113 -1.614 -23.724 -17.683 931 HA LEU 113 HA LEU 113 -4.031 -23.040 -19.099 932 HB2 LEU 113 HB2 LEU 113 -2.370 -21.636 -20.195 933 HB3 LEU 113 HB3 LEU 113 -1.337 -23.029 -20.453 934 HG LEU 113 HG LEU 113 -4.040 -23.278 -21.593 935 HD11 LEU 113 HD11 LEU 113 -3.987 -21.634 -23.144 936 HD12 LEU 113 HD12 LEU 113 -2.225 -21.607 -23.218 937 HD13 LEU 113 HD13 LEU 113 -3.064 -20.807 -21.889 938 HD21 LEU 113 HD21 LEU 113 -2.382 -23.846 -23.579 939 HD22 LEU 113 HD22 LEU 113 -2.703 -24.990 -22.276 940 HD23 LEU 113 HD23 LEU 113 -1.238 -24.008 -22.246 941 H SER 114 H SER 114 -4.774 -25.059 -18.412 942 HA SER 114 HA SER 114 -4.038 -27.236 -20.114 943 HB2 SER 114 HB2 SER 114 -2.512 -27.124 -17.896 944 HB3 SER 114 HB3 SER 114 -3.884 -28.032 -17.261 945 HG SER 114 HG SER 114 -2.811 -29.640 -18.127 946 H LEU 115 H LEU 115 -5.470 -29.118 -19.822 947 HA LEU 115 HA LEU 115 -8.142 -28.381 -19.596 948 HB2 LEU 115 HB2 LEU 115 -8.569 -30.809 -19.665 949 HB3 LEU 115 HB3 LEU 115 -7.478 -30.266 -20.916 950 HG LEU 115 HG LEU 115 -5.602 -31.022 -19.307 951 HD11 LEU 115 HD11 LEU 115 -8.041 -32.136 -18.018 952 HD12 LEU 115 HD12 LEU 115 -6.569 -31.495 -17.288 953 HD13 LEU 115 HD13 LEU 115 -6.564 -33.099 -18.021 954 HD21 LEU 115 HD21 LEU 115 -7.067 -33.408 -20.228 955 HD22 LEU 115 HD22 LEU 115 -5.416 -32.887 -20.562 956 HD23 LEU 115 HD23 LEU 115 -6.763 -32.169 -21.446 957 H GLU 116 H GLU 116 -9.753 -29.195 -18.080 958 HA GLU 116 HA GLU 116 -8.682 -29.589 -15.364 959 HB2 GLU 116 HB2 GLU 116 -9.682 -27.273 -15.904 960 HB3 GLU 116 HB3 GLU 116 -11.236 -28.096 -15.909 961 HG2 GLU 116 HG2 GLU 116 -10.842 -27.081 -13.761 962 HG3 GLU 116 HG3 GLU 116 -10.838 -28.837 -13.607 Start of MODEL 2 1 H1 HIS 1 H1 HIS 1 6.599 -15.378 -0.555 2 H2 HIS 1 H2 HIS 1 6.860 -13.758 -0.051 3 H3 HIS 1 H3 HIS 1 7.951 -14.994 0.426 4 HA HIS 1 HA HIS 1 9.006 -13.855 -1.254 5 HB2 HIS 1 HB2 HIS 1 8.055 -16.549 -1.579 6 HB3 HIS 1 HB3 HIS 1 8.239 -15.803 -3.163 7 HD1 HIS 1 HD1 HIS 1 10.696 -14.729 -3.606 8 HD2 HIS 1 HD2 HIS 1 10.373 -17.451 -0.483 9 HE1 HIS 1 HE1 HIS 1 13.048 -15.470 -3.114 10 HE2 HIS 1 HE2 HIS 1 12.836 -17.052 -1.165 11 H SER 2 H SER 2 5.883 -14.968 -2.579 12 HA SER 2 HA SER 2 5.941 -13.224 -4.805 13 HB2 SER 2 HB2 SER 2 3.810 -14.881 -3.489 14 HB3 SER 2 HB3 SER 2 3.380 -13.744 -4.767 15 HG SER 2 HG SER 2 3.906 -15.953 -5.442 16 H VAL 3 H VAL 3 6.109 -11.085 -4.461 17 HA VAL 3 HA VAL 3 4.688 -9.784 -2.310 18 HB VAL 3 HB VAL 3 5.712 -7.708 -3.161 19 HG11 VAL 3 HG11 VAL 3 6.886 -9.522 -1.693 20 HG12 VAL 3 HG12 VAL 3 7.806 -8.154 -2.318 21 HG13 VAL 3 HG13 VAL 3 7.911 -9.724 -3.114 22 HG21 VAL 3 HG21 VAL 3 6.130 -7.634 -5.357 23 HG22 VAL 3 HG22 VAL 3 6.179 -9.392 -5.496 24 HG23 VAL 3 HG23 VAL 3 7.614 -8.507 -4.977 25 HA PRO 4 HA PRO 4 0.898 -8.972 -4.479 26 HB2 PRO 4 HB2 PRO 4 0.998 -6.423 -2.933 27 HB3 PRO 4 HB3 PRO 4 -0.311 -7.602 -3.077 28 HG2 PRO 4 HG2 PRO 4 1.162 -7.492 -0.868 29 HG3 PRO 4 HG3 PRO 4 0.648 -9.052 -1.536 30 HD2 PRO 4 HD2 PRO 4 3.322 -7.728 -1.646 31 HD3 PRO 4 HD3 PRO 4 2.919 -9.449 -1.482 32 H GLU 5 H GLU 5 1.017 -8.412 -6.558 33 HA GLU 5 HA GLU 5 2.496 -6.024 -7.350 34 HB2 GLU 5 HB2 GLU 5 1.671 -8.544 -8.651 35 HB3 GLU 5 HB3 GLU 5 1.678 -7.118 -9.678 36 HG2 GLU 5 HG2 GLU 5 4.028 -6.729 -8.682 37 HG3 GLU 5 HG3 GLU 5 3.941 -8.437 -8.262 38 H SER 6 H SER 6 -0.683 -7.090 -6.836 39 HA SER 6 HA SER 6 -1.726 -4.599 -7.971 40 HB2 SER 6 HB2 SER 6 -2.374 -7.318 -8.841 41 HB3 SER 6 HB3 SER 6 -3.798 -6.370 -8.413 42 HG SER 6 HG SER 6 -1.850 -5.859 -10.386 43 H ILE 7 H ILE 7 -4.001 -4.165 -7.158 44 HA ILE 7 HA ILE 7 -4.368 -5.273 -4.456 45 HB ILE 7 HB ILE 7 -4.726 -2.375 -5.219 46 HG12 ILE 7 HG12 ILE 7 -2.858 -2.422 -3.238 47 HG13 ILE 7 HG13 ILE 7 -2.466 -3.906 -4.101 48 HG21 ILE 7 HG21 ILE 7 -5.151 -3.866 -2.642 49 HG22 ILE 7 HG22 ILE 7 -6.312 -2.894 -3.546 50 HG23 ILE 7 HG23 ILE 7 -4.967 -2.113 -2.716 51 HD11 ILE 7 HD11 ILE 7 -1.201 -2.554 -5.352 52 HD12 ILE 7 HD12 ILE 7 -2.099 -1.110 -4.885 53 HD13 ILE 7 HD13 ILE 7 -2.721 -2.164 -6.155 54 H ARG 8 H ARG 8 -6.547 -5.094 -3.615 55 HA ARG 8 HA ARG 8 -8.718 -4.331 -5.302 56 HB2 ARG 8 HB2 ARG 8 -8.160 -6.451 -6.388 57 HB3 ARG 8 HB3 ARG 8 -8.254 -7.284 -4.842 58 HG2 ARG 8 HG2 ARG 8 -10.547 -7.192 -4.774 59 HG3 ARG 8 HG3 ARG 8 -10.629 -5.777 -5.825 60 HD2 ARG 8 HD2 ARG 8 -11.187 -7.226 -7.434 61 HD3 ARG 8 HD3 ARG 8 -9.474 -7.646 -7.456 62 HE ARG 8 HE ARG 8 -10.448 -9.270 -5.544 63 HH11 ARG 8 HH11 ARG 8 -11.480 -8.613 -8.814 64 HH12 ARG 8 HH12 ARG 8 -12.141 -10.195 -9.055 65 HH21 ARG 8 HH21 ARG 8 -11.317 -11.351 -5.862 66 HH22 ARG 8 HH22 ARG 8 -12.049 -11.749 -7.380 67 H PHE 9 H PHE 9 -9.885 -3.347 -3.786 68 HA PHE 9 HA PHE 9 -10.560 -4.865 -1.358 69 HB2 PHE 9 HB2 PHE 9 -10.557 -2.658 -0.130 70 HB3 PHE 9 HB3 PHE 9 -8.970 -3.247 -0.615 71 HD1 PHE 9 HD1 PHE 9 -8.145 -2.368 -2.957 72 HD2 PHE 9 HD2 PHE 9 -11.088 -0.464 -0.545 73 HE1 PHE 9 HE1 PHE 9 -7.704 -0.240 -4.108 74 HE2 PHE 9 HE2 PHE 9 -10.653 1.669 -1.691 75 HZ PHE 9 HZ PHE 9 -8.959 1.784 -3.475 76 H GLY 10 H GLY 10 -12.524 -5.447 -2.398 77 HA2 GLY 10 HA2 GLY 10 -14.816 -5.188 -2.554 78 HA3 GLY 10 HA3 GLY 10 -14.629 -3.543 -1.965 79 HA PRO 11 HA PRO 11 -15.942 -2.986 -6.304 80 HB2 PRO 11 HB2 PRO 11 -16.910 -0.472 -5.941 81 HB3 PRO 11 HB3 PRO 11 -17.840 -1.927 -5.568 82 HG2 PRO 11 HG2 PRO 11 -16.291 -0.145 -3.728 83 HG3 PRO 11 HG3 PRO 11 -17.895 -0.866 -3.499 84 HD2 PRO 11 HD2 PRO 11 -15.670 -1.897 -2.363 85 HD3 PRO 11 HD3 PRO 11 -17.026 -2.915 -2.890 86 H ASN 12 H ASN 12 -13.666 -1.385 -4.318 87 HA ASN 12 HA ASN 12 -12.597 0.068 -6.648 88 HB2 ASN 12 HB2 ASN 12 -12.728 0.770 -3.748 89 HB3 ASN 12 HB3 ASN 12 -11.359 1.349 -4.691 90 HD21 ASN 12 HD21 ASN 12 -14.838 1.415 -4.359 91 HD22 ASN 12 HD22 ASN 12 -15.090 2.865 -5.265 92 H VAL 13 H VAL 13 -10.553 -0.319 -7.280 93 HA VAL 13 HA VAL 13 -8.925 -2.126 -5.612 94 HB VAL 13 HB VAL 13 -7.977 -3.061 -7.694 95 HG11 VAL 13 HG11 VAL 13 -10.860 -3.509 -8.097 96 HG12 VAL 13 HG12 VAL 13 -10.267 -3.763 -6.456 97 HG13 VAL 13 HG13 VAL 13 -9.560 -4.663 -7.799 98 HG21 VAL 13 HG21 VAL 13 -8.271 -1.368 -9.295 99 HG22 VAL 13 HG22 VAL 13 -10.000 -1.242 -8.970 100 HG23 VAL 13 HG23 VAL 13 -9.359 -2.661 -9.799 101 H PHE 14 H PHE 14 -6.542 -2.042 -6.305 102 HA PHE 14 HA PHE 14 -5.780 0.686 -7.086 103 HB2 PHE 14 HB2 PHE 14 -5.521 -0.429 -4.482 104 HB3 PHE 14 HB3 PHE 14 -3.903 -0.292 -5.161 105 HD1 PHE 14 HD1 PHE 14 -3.000 1.893 -5.788 106 HD2 PHE 14 HD2 PHE 14 -6.809 1.506 -3.929 107 HE1 PHE 14 HE1 PHE 14 -2.977 4.293 -5.249 108 HE2 PHE 14 HE2 PHE 14 -6.793 3.905 -3.388 109 HZ PHE 14 HZ PHE 14 -4.876 5.302 -4.047 110 H TYR 15 H TYR 15 -3.585 0.881 -7.862 111 HA TYR 15 HA TYR 15 -2.393 -1.656 -8.748 112 HB2 TYR 15 HB2 TYR 15 -2.742 0.808 -10.469 113 HB3 TYR 15 HB3 TYR 15 -1.933 -0.680 -10.949 114 HD1 TYR 15 HD1 TYR 15 -3.389 -2.849 -10.826 115 HD2 TYR 15 HD2 TYR 15 -4.987 1.092 -10.968 116 HE1 TYR 15 HE1 TYR 15 -5.526 -3.751 -11.641 117 HE2 TYR 15 HE2 TYR 15 -7.129 0.200 -11.782 118 HH TYR 15 HH TYR 15 -7.488 -3.031 -12.853 119 H VAL 16 H VAL 16 -0.461 -1.769 -7.837 120 HA VAL 16 HA VAL 16 0.945 0.431 -6.781 121 HB VAL 16 HB VAL 16 2.870 -1.183 -6.607 122 HG11 VAL 16 HG11 VAL 16 0.759 -2.770 -5.429 123 HG12 VAL 16 HG12 VAL 16 0.484 -1.045 -5.186 124 HG13 VAL 16 HG13 VAL 16 1.994 -1.781 -4.649 125 HG21 VAL 16 HG21 VAL 16 1.343 -2.583 -8.547 126 HG22 VAL 16 HG22 VAL 16 1.412 -3.576 -7.091 127 HG23 VAL 16 HG23 VAL 16 2.904 -3.021 -7.852 128 H LEU 17 H LEU 17 0.692 -0.693 -9.983 129 HA LEU 17 HA LEU 17 3.156 0.731 -10.737 130 HB2 LEU 17 HB2 LEU 17 3.125 -0.588 -12.804 131 HB3 LEU 17 HB3 LEU 17 3.226 -1.598 -11.375 132 HG LEU 17 HG LEU 17 0.642 -1.797 -11.637 133 HD11 LEU 17 HD11 LEU 17 0.371 -1.845 -14.308 134 HD12 LEU 17 HD12 LEU 17 1.472 -0.477 -14.139 135 HD13 LEU 17 HD13 LEU 17 -0.083 -0.466 -13.306 136 HD21 LEU 17 HD21 LEU 17 0.996 -3.677 -13.276 137 HD22 LEU 17 HD22 LEU 17 2.027 -3.708 -11.845 138 HD23 LEU 17 HD23 LEU 17 2.676 -3.155 -13.389 139 H LYS 18 H LYS 18 -0.286 0.598 -11.113 140 HA LYS 18 HA LYS 18 -0.259 2.433 -13.372 141 HB2 LYS 18 HB2 LYS 18 -1.989 0.433 -12.614 142 HB3 LYS 18 HB3 LYS 18 -2.851 1.885 -12.123 143 HG2 LYS 18 HG2 LYS 18 -3.295 2.484 -14.232 144 HG3 LYS 18 HG3 LYS 18 -1.691 2.026 -14.806 145 HD2 LYS 18 HD2 LYS 18 -2.444 -0.377 -14.625 146 HD3 LYS 18 HD3 LYS 18 -4.075 0.241 -14.356 147 HE2 LYS 18 HE2 LYS 18 -3.112 1.595 -16.611 148 HE3 LYS 18 HE3 LYS 18 -2.622 -0.085 -16.820 149 HZ1 LYS 18 HZ1 LYS 18 -5.378 0.908 -16.339 150 HZ2 LYS 18 HZ2 LYS 18 -4.948 -0.727 -16.388 151 HZ3 LYS 18 HZ3 LYS 18 -4.780 0.233 -17.771 152 H LEU 19 H LEU 19 -0.995 2.426 -9.932 153 HA LEU 19 HA LEU 19 -1.326 4.108 -8.440 154 HB2 LEU 19 HB2 LEU 19 -0.195 5.819 -10.657 155 HB3 LEU 19 HB3 LEU 19 -0.439 6.347 -9.003 156 HG LEU 19 HG LEU 19 1.339 4.015 -9.674 157 HD11 LEU 19 HD11 LEU 19 1.831 6.902 -10.002 158 HD12 LEU 19 HD12 LEU 19 2.598 5.520 -10.784 159 HD13 LEU 19 HD13 LEU 19 3.084 5.993 -9.156 160 HD21 LEU 19 HD21 LEU 19 0.659 5.597 -7.276 161 HD22 LEU 19 HD22 LEU 19 2.354 5.150 -7.469 162 HD23 LEU 19 HD23 LEU 19 1.110 3.899 -7.428 163 H THR 20 H THR 20 -3.546 3.302 -9.817 164 HA THR 20 HA THR 20 -5.145 5.734 -9.763 165 HB THR 20 HB THR 20 -5.206 3.844 -12.124 166 HG1 THR 20 HG1 THR 20 -4.423 5.684 -13.254 167 HG21 THR 20 HG21 THR 20 -6.706 5.443 -13.155 168 HG22 THR 20 HG22 THR 20 -6.694 6.421 -11.687 169 HG23 THR 20 HG23 THR 20 -7.398 4.804 -11.664 170 H VAL 21 H VAL 21 -7.190 5.412 -9.013 171 HA VAL 21 HA VAL 21 -7.812 2.702 -8.101 172 HB VAL 21 HB VAL 21 -9.274 5.239 -7.376 173 HG11 VAL 21 HG11 VAL 21 -10.428 4.017 -5.859 174 HG12 VAL 21 HG12 VAL 21 -9.078 2.926 -5.547 175 HG13 VAL 21 HG13 VAL 21 -10.070 2.711 -6.989 176 HG21 VAL 21 HG21 VAL 21 -6.797 4.023 -6.204 177 HG22 VAL 21 HG22 VAL 21 -7.893 4.992 -5.219 178 HG23 VAL 21 HG23 VAL 21 -7.114 5.705 -6.631 179 H GLU 22 H GLU 22 -8.956 1.529 -9.495 180 HA GLU 22 HA GLU 22 -10.664 2.678 -11.473 181 HB2 GLU 22 HB2 GLU 22 -9.382 0.501 -11.676 182 HB3 GLU 22 HB3 GLU 22 -10.590 -0.214 -10.618 183 HG2 GLU 22 HG2 GLU 22 -12.299 0.062 -12.201 184 HG3 GLU 22 HG3 GLU 22 -11.333 1.177 -13.167 185 H THR 23 H THR 23 -12.204 3.884 -10.326 186 HA THR 23 HA THR 23 -13.843 2.766 -8.292 187 HB THR 23 HB THR 23 -15.327 4.806 -8.924 188 HG1 THR 23 HG1 THR 23 -12.968 5.666 -10.202 189 HG21 THR 23 HG21 THR 23 -12.503 5.272 -7.997 190 HG22 THR 23 HG22 THR 23 -13.870 4.823 -6.977 191 HG23 THR 23 HG23 THR 23 -13.859 6.382 -7.802 192 HA PRO 24 HA PRO 24 -16.939 0.716 -10.661 193 HB2 PRO 24 HB2 PRO 24 -19.151 1.069 -9.171 194 HB3 PRO 24 HB3 PRO 24 -17.799 0.073 -8.622 195 HG2 PRO 24 HG2 PRO 24 -18.509 2.877 -7.880 196 HG3 PRO 24 HG3 PRO 24 -17.947 1.552 -6.846 197 HD2 PRO 24 HD2 PRO 24 -16.331 3.541 -7.778 198 HD3 PRO 24 HD3 PRO 24 -15.746 1.923 -7.361 199 H GLU 25 H GLU 25 -17.038 4.084 -10.294 200 HA GLU 25 HA GLU 25 -19.333 4.326 -12.117 201 HB2 GLU 25 HB2 GLU 25 -19.128 5.583 -9.812 202 HB3 GLU 25 HB3 GLU 25 -18.111 6.680 -10.735 203 HG2 GLU 25 HG2 GLU 25 -19.844 7.479 -11.968 204 HG3 GLU 25 HG3 GLU 25 -20.750 5.969 -11.878 205 H GLY 26 H GLY 26 -15.936 5.021 -11.701 206 HA2 GLY 26 HA2 GLY 26 -15.530 5.294 -14.502 207 HA3 GLY 26 HA3 GLY 26 -15.485 6.866 -13.718 208 H SER 27 H SER 27 -13.679 7.485 -12.652 209 HA SER 27 HA SER 27 -11.688 5.564 -11.828 210 HB2 SER 27 HB2 SER 27 -11.461 6.333 -14.412 211 HB3 SER 27 HB3 SER 27 -10.539 7.616 -13.629 212 HG SER 27 HG SER 27 -10.022 4.875 -13.774 213 H VAL 28 H VAL 28 -9.772 6.686 -10.828 214 HA VAL 28 HA VAL 28 -10.220 9.430 -9.996 215 HB VAL 28 HB VAL 28 -10.030 7.261 -7.905 216 HG11 VAL 28 HG11 VAL 28 -9.962 10.209 -7.867 217 HG12 VAL 28 HG12 VAL 28 -9.240 9.040 -6.761 218 HG13 VAL 28 HG13 VAL 28 -10.952 9.439 -6.627 219 HG21 VAL 28 HG21 VAL 28 -12.427 8.844 -8.825 220 HG22 VAL 28 HG22 VAL 28 -12.380 7.831 -7.382 221 HG23 VAL 28 HG23 VAL 28 -12.186 7.103 -8.977 222 H HIS 29 H HIS 29 -8.276 10.177 -10.625 223 HA HIS 29 HA HIS 29 -5.859 8.665 -10.321 224 HB2 HIS 29 HB2 HIS 29 -6.629 11.286 -11.458 225 HB3 HIS 29 HB3 HIS 29 -4.979 11.173 -10.854 226 HD1 HIS 29 HD1 HIS 29 -7.216 9.013 -13.065 227 HD2 HIS 29 HD2 HIS 29 -3.297 10.370 -12.799 228 HE1 HIS 29 HE1 HIS 29 -6.043 8.082 -15.086 229 HE2 HIS 29 HE2 HIS 29 -3.652 8.839 -14.853 230 H LEU 30 H LEU 30 -3.913 9.763 -9.245 231 HA LEU 30 HA LEU 30 -4.396 11.475 -7.016 232 HB2 LEU 30 HB2 LEU 30 -4.350 10.040 -5.233 233 HB3 LEU 30 HB3 LEU 30 -5.235 9.071 -6.393 234 HG LEU 30 HG LEU 30 -2.360 8.769 -5.551 235 HD11 LEU 30 HD11 LEU 30 -4.889 7.343 -5.063 236 HD12 LEU 30 HD12 LEU 30 -3.444 7.476 -4.060 237 HD13 LEU 30 HD13 LEU 30 -3.485 6.328 -5.400 238 HD21 LEU 30 HD21 LEU 30 -1.976 8.207 -7.696 239 HD22 LEU 30 HD22 LEU 30 -3.685 7.955 -8.049 240 HD23 LEU 30 HD23 LEU 30 -2.759 6.698 -7.229 241 H THR 31 H THR 31 -2.379 11.586 -5.578 242 HA THR 31 HA THR 31 -0.111 11.914 -7.295 243 HB THR 31 HB THR 31 0.520 12.084 -4.469 244 HG1 THR 31 HG1 THR 31 -1.749 13.515 -5.385 245 HG21 THR 31 HG21 THR 31 1.847 13.535 -5.525 246 HG22 THR 31 HG22 THR 31 0.482 14.638 -5.357 247 HG23 THR 31 HG23 THR 31 0.720 13.752 -6.863 248 HA PRO 32 HA PRO 32 1.603 7.893 -6.566 249 HB2 PRO 32 HB2 PRO 32 4.028 8.231 -7.668 250 HB3 PRO 32 HB3 PRO 32 2.559 8.187 -8.650 251 HG2 PRO 32 HG2 PRO 32 4.147 10.547 -7.722 252 HG3 PRO 32 HG3 PRO 32 3.409 10.247 -9.306 253 HD2 PRO 32 HD2 PRO 32 2.290 11.837 -7.367 254 HD3 PRO 32 HD3 PRO 32 1.358 11.001 -8.625 255 H SER 33 H SER 33 3.011 10.775 -5.282 256 HA SER 33 HA SER 33 5.023 9.419 -3.744 257 HB2 SER 33 HB2 SER 33 3.982 12.239 -3.397 258 HB3 SER 33 HB3 SER 33 5.490 11.588 -2.754 259 HG SER 33 HG SER 33 6.399 11.789 -4.657 260 H GLU 34 H GLU 34 1.799 10.626 -3.228 261 HA GLU 34 HA GLU 34 1.856 9.937 -0.424 262 HB2 GLU 34 HB2 GLU 34 -0.428 10.741 -0.336 263 HB3 GLU 34 HB3 GLU 34 0.555 11.900 -1.218 264 HG2 GLU 34 HG2 GLU 34 -1.219 11.828 -2.610 265 HG3 GLU 34 HG3 GLU 34 -0.306 10.481 -3.284 266 H SER 35 H SER 35 0.508 8.725 -3.410 267 HA SER 35 HA SER 35 -0.796 6.506 -2.148 268 HB2 SER 35 HB2 SER 35 -1.423 5.812 -4.298 269 HB3 SER 35 HB3 SER 35 -1.336 7.564 -4.457 270 HG SER 35 HG SER 35 0.580 5.648 -5.283 271 H GLY 36 H GLY 36 2.400 7.323 -2.894 272 HA2 GLY 36 HA2 GLY 36 3.437 4.741 -3.462 273 HA3 GLY 36 HA3 GLY 36 4.364 6.133 -2.923 274 H ILE 37 H ILE 37 2.721 6.517 -0.545 275 HA ILE 37 HA ILE 37 4.183 4.902 1.250 276 HB ILE 37 HB ILE 37 1.655 6.479 1.743 277 HG12 ILE 37 HG12 ILE 37 3.811 7.728 2.991 278 HG13 ILE 37 HG13 ILE 37 4.452 7.213 1.434 279 HG21 ILE 37 HG21 ILE 37 3.324 4.816 3.516 280 HG22 ILE 37 HG22 ILE 37 1.618 5.249 3.635 281 HG23 ILE 37 HG23 ILE 37 2.857 6.395 4.147 282 HD11 ILE 37 HD11 ILE 37 1.944 8.826 1.793 283 HD12 ILE 37 HD12 ILE 37 2.741 8.416 0.274 284 HD13 ILE 37 HD13 ILE 37 3.532 9.496 1.421 285 H LEU 38 H LEU 38 0.902 4.707 0.043 286 HA LEU 38 HA LEU 38 0.271 2.352 1.556 287 HB2 LEU 38 HB2 LEU 38 -1.840 2.505 0.687 288 HB3 LEU 38 HB3 LEU 38 -1.321 4.168 0.530 289 HG LEU 38 HG LEU 38 -0.592 3.315 -1.888 290 HD11 LEU 38 HD11 LEU 38 -1.642 1.497 -2.700 291 HD12 LEU 38 HD12 LEU 38 -3.090 1.765 -1.728 292 HD13 LEU 38 HD13 LEU 38 -1.667 1.018 -1.003 293 HD21 LEU 38 HD21 LEU 38 -2.064 5.173 -1.527 294 HD22 LEU 38 HD22 LEU 38 -3.369 4.100 -1.025 295 HD23 LEU 38 HD23 LEU 38 -2.812 4.088 -2.698 296 H LYS 39 H LYS 39 1.942 3.028 -1.329 297 HA LYS 39 HA LYS 39 1.489 0.489 -2.590 298 HB2 LYS 39 HB2 LYS 39 2.196 2.852 -3.600 299 HB3 LYS 39 HB3 LYS 39 3.806 2.194 -3.341 300 HG2 LYS 39 HG2 LYS 39 2.617 0.108 -4.574 301 HG3 LYS 39 HG3 LYS 39 1.755 1.461 -5.309 302 HD2 LYS 39 HD2 LYS 39 4.747 1.458 -5.109 303 HD3 LYS 39 HD3 LYS 39 3.923 0.625 -6.429 304 HE2 LYS 39 HE2 LYS 39 2.684 2.841 -6.790 305 HE3 LYS 39 HE3 LYS 39 3.930 3.553 -5.766 306 HZ1 LYS 39 HZ1 LYS 39 5.591 2.606 -7.332 307 HZ2 LYS 39 HZ2 LYS 39 4.598 3.789 -8.021 308 HZ3 LYS 39 HZ3 LYS 39 4.320 2.155 -8.354 309 H ARG 40 H ARG 40 3.841 1.898 -0.441 310 HA ARG 40 HA ARG 40 5.722 -0.259 -0.765 311 HB2 ARG 40 HB2 ARG 40 5.765 2.327 0.399 312 HB3 ARG 40 HB3 ARG 40 6.165 1.180 1.671 313 HG2 ARG 40 HG2 ARG 40 8.198 1.886 0.670 314 HG3 ARG 40 HG3 ARG 40 7.903 0.224 0.154 315 HD2 ARG 40 HD2 ARG 40 6.811 1.263 -1.917 316 HD3 ARG 40 HD3 ARG 40 7.592 2.763 -1.419 317 HE ARG 40 HE ARG 40 9.608 1.907 -2.098 318 HH11 ARG 40 HH11 ARG 40 7.264 -0.676 -1.952 319 HH12 ARG 40 HH12 ARG 40 8.300 -1.827 -2.726 320 HH21 ARG 40 HH21 ARG 40 10.971 0.393 -3.115 321 HH22 ARG 40 HH22 ARG 40 10.404 -1.221 -3.386 322 H LEU 41 H LEU 41 3.144 0.568 1.408 323 HA LEU 41 HA LEU 41 3.737 -1.545 3.269 324 HB2 LEU 41 HB2 LEU 41 1.346 0.260 2.924 325 HB3 LEU 41 HB3 LEU 41 1.435 -0.979 4.162 326 HG LEU 41 HG LEU 41 3.202 1.452 3.907 327 HD11 LEU 41 HD11 LEU 41 2.000 2.391 5.565 328 HD12 LEU 41 HD12 LEU 41 1.700 0.850 6.369 329 HD13 LEU 41 HD13 LEU 41 0.735 1.317 4.969 330 HD21 LEU 41 HD21 LEU 41 3.627 -1.094 5.273 331 HD22 LEU 41 HD22 LEU 41 3.758 0.309 6.334 332 HD23 LEU 41 HD23 LEU 41 4.768 0.196 4.893 333 H LEU 42 H LEU 42 2.024 -1.202 0.319 334 HA LEU 42 HA LEU 42 0.305 -3.459 0.637 335 HB2 LEU 42 HB2 LEU 42 0.790 -1.428 -1.339 336 HB3 LEU 42 HB3 LEU 42 0.763 -3.002 -2.110 337 HG LEU 42 HG LEU 42 -1.435 -1.830 -2.085 338 HD11 LEU 42 HD11 LEU 42 -1.127 -4.332 -2.204 339 HD12 LEU 42 HD12 LEU 42 -2.704 -3.772 -1.645 340 HD13 LEU 42 HD13 LEU 42 -1.519 -4.373 -0.485 341 HD21 LEU 42 HD21 LEU 42 -2.637 -2.114 0.206 342 HD22 LEU 42 HD22 LEU 42 -1.622 -0.703 -0.083 343 HD23 LEU 42 HD23 LEU 42 -1.002 -2.054 0.862 344 H ILE 43 H ILE 43 3.584 -2.956 -0.347 345 HA ILE 43 HA ILE 43 3.960 -5.376 -1.770 346 HB ILE 43 HB ILE 43 6.149 -4.075 -0.175 347 HG12 ILE 43 HG12 ILE 43 5.115 -2.202 -1.252 348 HG13 ILE 43 HG13 ILE 43 6.537 -2.620 -2.200 349 HG21 ILE 43 HG21 ILE 43 7.476 -4.759 -2.182 350 HG22 ILE 43 HG22 ILE 43 6.033 -5.577 -2.783 351 HG23 ILE 43 HG23 ILE 43 6.777 -6.097 -1.270 352 HD11 ILE 43 HD11 ILE 43 3.703 -3.379 -2.868 353 HD12 ILE 43 HD12 ILE 43 5.135 -3.755 -3.827 354 HD13 ILE 43 HD13 ILE 43 4.631 -2.078 -3.614 355 H ASN 44 H ASN 44 3.925 -4.554 1.622 356 HA ASN 44 HA ASN 44 4.857 -7.226 2.353 357 HB2 ASN 44 HB2 ASN 44 4.718 -4.611 3.717 358 HB3 ASN 44 HB3 ASN 44 4.374 -6.009 4.731 359 HD21 ASN 44 HD21 ASN 44 5.993 -7.882 4.247 360 HD22 ASN 44 HD22 ASN 44 7.656 -7.413 4.264 361 H LYS 45 H LYS 45 2.065 -5.151 2.507 362 HA LYS 45 HA LYS 45 -0.102 -5.485 3.137 363 HB2 LYS 45 HB2 LYS 45 0.722 -7.947 1.684 364 HB3 LYS 45 HB3 LYS 45 -0.831 -7.969 2.508 365 HG2 LYS 45 HG2 LYS 45 -0.226 -5.649 0.762 366 HG3 LYS 45 HG3 LYS 45 -0.588 -7.197 -0.004 367 HD2 LYS 45 HD2 LYS 45 -2.655 -6.067 0.184 368 HD3 LYS 45 HD3 LYS 45 -2.653 -7.286 1.460 369 HE2 LYS 45 HE2 LYS 45 -1.592 -4.613 2.159 370 HE3 LYS 45 HE3 LYS 45 -3.328 -4.730 1.879 371 HZ1 LYS 45 HZ1 LYS 45 -1.963 -6.636 3.668 372 HZ2 LYS 45 HZ2 LYS 45 -3.595 -6.195 3.634 373 HZ3 LYS 45 HZ3 LYS 45 -2.441 -5.115 4.235 374 H GLY 46 H GLY 46 0.234 -5.258 5.386 375 HA2 GLY 46 HA2 GLY 46 -0.353 -5.985 7.513 376 HA3 GLY 46 HA3 GLY 46 -0.518 -7.614 6.880 377 H GLN 47 H GLN 47 1.764 -5.213 8.054 378 HA GLN 47 HA GLN 47 3.418 -7.315 9.152 379 HB2 GLN 47 HB2 GLN 47 4.179 -5.819 6.742 380 HB3 GLN 47 HB3 GLN 47 5.398 -5.793 8.010 381 HG2 GLN 47 HG2 GLN 47 4.162 -8.261 6.809 382 HG3 GLN 47 HG3 GLN 47 5.761 -7.618 6.438 383 HE21 GLN 47 HE21 GLN 47 4.301 -9.984 8.033 384 HE22 GLN 47 HE22 GLN 47 5.399 -10.223 9.346 385 H LEU 48 H LEU 48 5.015 -6.509 10.658 386 HA LEU 48 HA LEU 48 4.062 -4.166 12.044 387 HB2 LEU 48 HB2 LEU 48 5.217 -6.517 12.845 388 HB3 LEU 48 HB3 LEU 48 6.556 -5.394 12.986 389 HG LEU 48 HG LEU 48 4.564 -3.994 14.218 390 HD11 LEU 48 HD11 LEU 48 3.071 -5.981 13.984 391 HD12 LEU 48 HD12 LEU 48 3.321 -5.445 15.645 392 HD13 LEU 48 HD13 LEU 48 4.174 -6.864 15.039 393 HD21 LEU 48 HD21 LEU 48 5.891 -4.165 16.047 394 HD22 LEU 48 HD22 LEU 48 7.005 -4.859 14.869 395 HD23 LEU 48 HD23 LEU 48 6.048 -5.916 15.908 396 H CYS 49 H CYS 49 4.589 -2.305 11.024 397 HA CYS 49 HA CYS 49 7.452 -1.716 10.775 398 HB2 CYS 49 HB2 CYS 49 5.339 -1.219 8.676 399 HB3 CYS 49 HB3 CYS 49 6.904 -0.414 8.672 400 HG CYS 49 HG CYS 49 7.929 -2.420 7.707 401 H LEU 50 H LEU 50 7.678 -0.268 12.366 402 HA LEU 50 HA LEU 50 5.787 1.470 13.391 403 HB2 LEU 50 HB2 LEU 50 8.672 2.271 13.250 404 HB3 LEU 50 HB3 LEU 50 7.516 2.551 14.535 405 HG LEU 50 HG LEU 50 8.785 0.941 15.525 406 HD11 LEU 50 HD11 LEU 50 6.349 0.053 14.745 407 HD12 LEU 50 HD12 LEU 50 7.436 -0.823 15.821 408 HD13 LEU 50 HD13 LEU 50 7.393 -1.214 14.102 409 HD21 LEU 50 HD21 LEU 50 10.499 0.302 14.243 410 HD22 LEU 50 HD22 LEU 50 9.529 0.307 12.770 411 HD23 LEU 50 HD23 LEU 50 9.489 -1.088 13.848 412 H ARG 51 H ARG 51 5.274 3.646 13.045 413 HA ARG 51 HA ARG 51 5.177 4.506 10.390 414 HB2 ARG 51 HB2 ARG 51 3.717 5.256 12.348 415 HB3 ARG 51 HB3 ARG 51 5.022 6.360 12.759 416 HG2 ARG 51 HG2 ARG 51 4.820 7.334 10.471 417 HG3 ARG 51 HG3 ARG 51 3.389 6.329 10.233 418 HD2 ARG 51 HD2 ARG 51 2.803 7.494 12.605 419 HD3 ARG 51 HD3 ARG 51 3.750 8.769 11.839 420 HE ARG 51 HE ARG 51 1.831 7.788 10.024 421 HH11 ARG 51 HH11 ARG 51 2.074 9.707 12.928 422 HH12 ARG 51 HH12 ARG 51 0.654 10.636 12.583 423 HH21 ARG 51 HH21 ARG 51 -0.037 9.007 9.568 424 HH22 ARG 51 HH22 ARG 51 -0.546 10.238 10.676 425 H LYS 52 H LYS 52 7.536 5.033 12.876 426 HA LYS 52 HA LYS 52 8.921 7.150 11.595 427 HB2 LYS 52 HB2 LYS 52 9.205 6.712 13.989 428 HB3 LYS 52 HB3 LYS 52 9.901 5.140 13.625 429 HG2 LYS 52 HG2 LYS 52 11.741 6.321 12.418 430 HG3 LYS 52 HG3 LYS 52 11.079 7.841 13.023 431 HD2 LYS 52 HD2 LYS 52 11.691 7.402 15.192 432 HD3 LYS 52 HD3 LYS 52 11.634 5.653 14.966 433 HE2 LYS 52 HE2 LYS 52 13.655 5.969 13.431 434 HE3 LYS 52 HE3 LYS 52 13.778 7.583 14.129 435 HZ1 LYS 52 HZ1 LYS 52 14.224 6.717 16.231 436 HZ2 LYS 52 HZ2 LYS 52 15.132 5.736 15.195 437 HZ3 LYS 52 HZ3 LYS 52 13.671 5.169 15.831 438 H HIS 53 H HIS 53 9.799 3.756 11.966 439 HA HIS 53 HA HIS 53 11.887 3.737 10.120 440 HB2 HIS 53 HB2 HIS 53 10.002 1.579 11.041 441 HB3 HIS 53 HB3 HIS 53 11.286 1.250 9.883 442 HD1 HIS 53 HD1 HIS 53 13.013 0.009 11.153 443 HD2 HIS 53 HD2 HIS 53 11.539 3.248 13.297 444 HE1 HIS 53 HE1 HIS 53 14.387 0.104 13.256 445 HE2 HIS 53 HE2 HIS 53 13.414 2.014 14.580 446 H LEU 54 H LEU 54 8.464 3.782 9.671 447 HA LEU 54 HA LEU 54 8.286 2.826 7.052 448 HB2 LEU 54 HB2 LEU 54 6.516 3.862 8.859 449 HB3 LEU 54 HB3 LEU 54 6.603 5.159 7.682 450 HG LEU 54 HG LEU 54 6.283 2.649 6.317 451 HD11 LEU 54 HD11 LEU 54 5.103 1.567 7.916 452 HD12 LEU 54 HD12 LEU 54 3.791 2.549 7.266 453 HD13 LEU 54 HD13 LEU 54 4.629 3.056 8.733 454 HD21 LEU 54 HD21 LEU 54 4.875 3.868 5.046 455 HD22 LEU 54 HD22 LEU 54 5.617 5.223 5.897 456 HD23 LEU 54 HD23 LEU 54 4.065 4.585 6.439 457 H LEU 55 H LEU 55 9.471 5.781 8.403 458 HA LEU 55 HA LEU 55 9.436 7.431 6.152 459 HB2 LEU 55 HB2 LEU 55 10.681 8.886 7.381 460 HB3 LEU 55 HB3 LEU 55 10.087 7.861 8.665 461 HG LEU 55 HG LEU 55 12.862 8.072 7.550 462 HD11 LEU 55 HD11 LEU 55 12.189 7.702 10.414 463 HD12 LEU 55 HD12 LEU 55 11.769 9.239 9.657 464 HD13 LEU 55 HD13 LEU 55 13.444 8.687 9.661 465 HD21 LEU 55 HD21 LEU 55 11.589 5.602 8.334 466 HD22 LEU 55 HD22 LEU 55 12.923 5.999 9.410 467 HD23 LEU 55 HD23 LEU 55 13.198 5.875 7.674 468 H GLU 56 H GLU 56 11.299 4.629 6.791 469 HA GLU 56 HA GLU 56 13.411 5.325 4.936 470 HB2 GLU 56 HB2 GLU 56 13.023 3.379 7.009 471 HB3 GLU 56 HB3 GLU 56 13.492 2.560 5.527 472 HG2 GLU 56 HG2 GLU 56 15.057 4.955 6.217 473 HG3 GLU 56 HG3 GLU 56 15.232 3.576 7.301 474 H GLU 57 H GLU 57 10.331 3.830 4.818 475 HA GLU 57 HA GLU 57 10.912 2.425 2.338 476 HB2 GLU 57 HB2 GLU 57 8.197 2.691 3.614 477 HB3 GLU 57 HB3 GLU 57 8.768 1.437 2.522 478 HG2 GLU 57 HG2 GLU 57 10.284 0.623 4.270 479 HG3 GLU 57 HG3 GLU 57 9.666 1.860 5.364 480 H ILE 58 H ILE 58 9.537 5.380 3.432 481 HA ILE 58 HA ILE 58 8.303 5.952 0.863 482 HB ILE 58 HB ILE 58 8.608 7.962 3.072 483 HG12 ILE 58 HG12 ILE 58 7.689 5.802 3.994 484 HG13 ILE 58 HG13 ILE 58 6.615 7.184 4.148 485 HG21 ILE 58 HG21 ILE 58 7.172 7.757 0.561 486 HG22 ILE 58 HG22 ILE 58 7.517 9.174 1.553 487 HG23 ILE 58 HG23 ILE 58 6.108 8.173 1.904 488 HD11 ILE 58 HD11 ILE 58 5.036 5.951 3.219 489 HD12 ILE 58 HD12 ILE 58 6.186 4.669 2.840 490 HD13 ILE 58 HD13 ILE 58 5.950 6.003 1.712 491 H LYS 59 H LYS 59 11.214 6.518 2.606 492 HA LYS 59 HA LYS 59 12.114 8.734 1.017 493 HB2 LYS 59 HB2 LYS 59 12.869 8.330 3.358 494 HB3 LYS 59 HB3 LYS 59 13.712 6.889 2.805 495 HG2 LYS 59 HG2 LYS 59 14.984 8.417 1.229 496 HG3 LYS 59 HG3 LYS 59 14.312 9.757 2.160 497 HD2 LYS 59 HD2 LYS 59 15.825 7.485 3.429 498 HD3 LYS 59 HD3 LYS 59 16.614 8.954 2.851 499 HE2 LYS 59 HE2 LYS 59 14.342 8.949 4.828 500 HE3 LYS 59 HE3 LYS 59 16.041 8.931 5.298 501 HZ1 LYS 59 HZ1 LYS 59 16.152 11.110 4.999 502 HZ2 LYS 59 HZ2 LYS 59 14.487 11.140 4.704 503 HZ3 LYS 59 HZ3 LYS 59 15.570 10.990 3.414 504 H ASN 60 H ASN 60 12.258 5.258 0.857 505 HA ASN 60 HA ASN 60 14.230 5.328 -1.270 506 HB2 ASN 60 HB2 ASN 60 12.982 3.131 0.349 507 HB3 ASN 60 HB3 ASN 60 13.822 2.764 -1.155 508 HD21 ASN 60 HD21 ASN 60 14.336 4.791 1.715 509 HD22 ASN 60 HD22 ASN 60 15.982 4.324 1.958 510 H HIS 61 H HIS 61 11.796 6.591 -1.841 511 HA HIS 61 HA HIS 61 11.095 5.337 -4.278 512 HB2 HIS 61 HB2 HIS 61 9.805 4.034 -2.424 513 HB3 HIS 61 HB3 HIS 61 8.782 5.466 -2.367 514 HD1 HIS 61 HD1 HIS 61 6.926 3.668 -3.178 515 HD2 HIS 61 HD2 HIS 61 9.847 4.709 -5.944 516 HE1 HIS 61 HE1 HIS 61 6.014 2.968 -5.414 517 HE2 HIS 61 HE2 HIS 61 7.755 3.700 -7.081 518 H ALA 62 H ALA 62 9.956 7.544 -1.749 519 HA ALA 62 HA ALA 62 10.133 9.839 -3.372 520 HB1 ALA 62 HB1 ALA 62 8.077 10.171 -4.231 521 HB2 ALA 62 HB2 ALA 62 7.264 9.444 -2.846 522 HB3 ALA 62 HB3 ALA 62 7.953 8.416 -4.103 523 H LYS 63 H LYS 63 11.038 10.839 -1.630 524 HA LYS 63 HA LYS 63 9.976 10.713 1.004 525 HB2 LYS 63 HB2 LYS 63 12.335 11.179 0.609 526 HB3 LYS 63 HB3 LYS 63 11.925 12.660 -0.244 527 HG2 LYS 63 HG2 LYS 63 10.735 12.705 2.355 528 HG3 LYS 63 HG3 LYS 63 12.452 12.322 2.496 529 HD2 LYS 63 HD2 LYS 63 11.607 14.551 0.701 530 HD3 LYS 63 HD3 LYS 63 11.627 14.817 2.446 531 HE2 LYS 63 HE2 LYS 63 13.999 13.920 2.409 532 HE3 LYS 63 HE3 LYS 63 13.919 14.055 0.653 533 HZ1 LYS 63 HZ1 LYS 63 13.385 16.336 2.469 534 HZ2 LYS 63 HZ2 LYS 63 13.647 16.382 0.799 535 HZ3 LYS 63 HZ3 LYS 63 14.920 15.998 1.844 536 H ALA 64 H ALA 64 7.729 11.226 0.014 537 HA ALA 64 HA ALA 64 5.961 12.644 -0.265 538 HB1 ALA 64 HB1 ALA 64 6.227 12.856 2.108 539 HB2 ALA 64 HB2 ALA 64 5.833 14.443 1.449 540 HB3 ALA 64 HB3 ALA 64 7.494 14.066 1.905 541 H ILE 65 H ILE 65 6.198 13.397 -2.360 542 HA ILE 65 HA ILE 65 7.781 15.820 -2.769 543 HB ILE 65 HB ILE 65 6.322 14.230 -4.876 544 HG12 ILE 65 HG12 ILE 65 7.961 12.816 -3.665 545 HG13 ILE 65 HG13 ILE 65 8.419 13.092 -5.343 546 HG21 ILE 65 HG21 ILE 65 8.733 15.606 -5.681 547 HG22 ILE 65 HG22 ILE 65 7.562 16.716 -4.971 548 HG23 ILE 65 HG23 ILE 65 7.102 15.709 -6.343 549 HD11 ILE 65 HD11 ILE 65 9.835 13.726 -2.914 550 HD12 ILE 65 HD12 ILE 65 9.652 15.143 -3.949 551 HD13 ILE 65 HD13 ILE 65 10.411 13.681 -4.580 552 H VAL 66 H VAL 66 5.327 15.848 -1.267 553 HA VAL 66 HA VAL 66 4.057 18.075 -2.571 554 HB VAL 66 HB VAL 66 2.321 15.699 -1.880 555 HG11 VAL 66 HG11 VAL 66 1.769 18.460 -2.301 556 HG12 VAL 66 HG12 VAL 66 0.642 17.146 -1.964 557 HG13 VAL 66 HG13 VAL 66 1.065 17.539 -3.630 558 HG21 VAL 66 HG21 VAL 66 1.953 15.497 -4.328 559 HG22 VAL 66 HG22 VAL 66 3.599 15.108 -3.831 560 HG23 VAL 66 HG23 VAL 66 3.249 16.665 -4.583 561 H ALA 67 H ALA 67 5.562 17.655 -0.197 562 HA ALA 67 HA ALA 67 4.092 19.133 1.658 563 HB1 ALA 67 HB1 ALA 67 3.129 16.607 1.696 564 HB2 ALA 67 HB2 ALA 67 3.117 17.689 3.089 565 HB3 ALA 67 HB3 ALA 67 4.397 16.488 2.916 566 H ARG 68 H ARG 68 5.200 18.231 4.074 567 HA ARG 68 HA ARG 68 8.061 18.658 3.546 568 HB2 ARG 68 HB2 ARG 68 6.516 19.293 6.062 569 HB3 ARG 68 HB3 ARG 68 8.202 19.683 5.747 570 HG2 ARG 68 HG2 ARG 68 7.673 21.540 4.642 571 HG3 ARG 68 HG3 ARG 68 6.421 20.725 3.702 572 HD2 ARG 68 HD2 ARG 68 4.829 20.997 5.471 573 HD3 ARG 68 HD3 ARG 68 6.073 21.605 6.563 574 HE ARG 68 HE ARG 68 5.986 23.268 4.318 575 HH11 ARG 68 HH11 ARG 68 3.989 22.404 7.046 576 HH12 ARG 68 HH12 ARG 68 3.185 23.936 7.102 577 HH21 ARG 68 HH21 ARG 68 4.929 25.284 4.390 578 HH22 ARG 68 HH22 ARG 68 3.718 25.572 5.594 579 H ASN 69 H ASN 69 5.767 16.521 4.948 580 HA ASN 69 HA ASN 69 7.922 14.695 5.674 581 HB2 ASN 69 HB2 ASN 69 6.773 14.160 7.845 582 HB3 ASN 69 HB3 ASN 69 7.510 15.758 7.784 583 HD21 ASN 69 HD21 ASN 69 5.222 14.560 9.326 584 HD22 ASN 69 HD22 ASN 69 3.920 15.670 9.091 585 H VAL 70 H VAL 70 6.824 12.526 6.476 586 HA VAL 70 HA VAL 70 4.995 11.791 4.348 587 HB VAL 70 HB VAL 70 7.011 10.393 4.957 588 HG11 VAL 70 HG11 VAL 70 5.368 9.192 7.142 589 HG12 VAL 70 HG12 VAL 70 6.374 10.602 7.484 590 HG13 VAL 70 HG13 VAL 70 7.111 9.120 6.872 591 HG21 VAL 70 HG21 VAL 70 4.326 9.578 4.298 592 HG22 VAL 70 HG22 VAL 70 5.182 8.295 5.154 593 HG23 VAL 70 HG23 VAL 70 5.866 8.981 3.681 594 H ASP 71 H ASP 71 4.934 12.359 7.750 595 HA ASP 71 HA ASP 71 2.742 10.901 8.579 596 HB2 ASP 71 HB2 ASP 71 4.363 12.760 9.741 597 HB3 ASP 71 HB3 ASP 71 2.838 13.636 9.649 598 H VAL 72 H VAL 72 2.596 14.321 7.730 599 HA VAL 72 HA VAL 72 -0.159 14.540 7.561 600 HB VAL 72 HB VAL 72 1.788 16.055 5.820 601 HG11 VAL 72 HG11 VAL 72 -0.034 17.857 6.267 602 HG12 VAL 72 HG12 VAL 72 -1.059 16.468 6.630 603 HG13 VAL 72 HG13 VAL 72 -0.311 16.620 5.040 604 HG21 VAL 72 HG21 VAL 72 0.906 17.398 8.240 605 HG22 VAL 72 HG22 VAL 72 2.531 17.203 7.584 606 HG23 VAL 72 HG23 VAL 72 1.825 15.932 8.583 607 H HIS 73 H HIS 73 2.073 13.119 5.356 608 HA HIS 73 HA HIS 73 0.383 13.154 3.062 609 HB2 HIS 73 HB2 HIS 73 3.047 12.422 3.623 610 HB3 HIS 73 HB3 HIS 73 2.262 10.967 3.019 611 HD1 HIS 73 HD1 HIS 73 4.377 12.055 1.256 612 HD2 HIS 73 HD2 HIS 73 0.451 13.401 1.053 613 HE1 HIS 73 HE1 HIS 73 4.123 13.043 -1.043 614 HE2 HIS 73 HE2 HIS 73 1.717 13.778 -1.171 615 H ILE 74 H ILE 74 0.667 11.160 5.863 616 HA ILE 74 HA ILE 74 -0.599 8.843 4.810 617 HB ILE 74 HB ILE 74 -0.588 9.674 7.706 618 HG12 ILE 74 HG12 ILE 74 1.695 9.823 7.018 619 HG13 ILE 74 HG13 ILE 74 1.514 8.286 7.854 620 HG21 ILE 74 HG21 ILE 74 -0.275 6.860 6.913 621 HG22 ILE 74 HG22 ILE 74 -1.839 7.586 6.544 622 HG23 ILE 74 HG23 ILE 74 -1.239 7.579 8.202 623 HD11 ILE 74 HD11 ILE 74 1.185 7.293 5.507 624 HD12 ILE 74 HD12 ILE 74 2.810 7.759 6.011 625 HD13 ILE 74 HD13 ILE 74 1.885 8.808 4.936 626 H ALA 75 H ALA 75 -1.728 11.828 6.177 627 HA ALA 75 HA ALA 75 -4.381 10.985 6.712 628 HB1 ALA 75 HB1 ALA 75 -3.868 12.877 7.907 629 HB2 ALA 75 HB2 ALA 75 -4.766 13.573 6.558 630 HB3 ALA 75 HB3 ALA 75 -3.003 13.617 6.560 631 H SER 76 H SER 76 -2.837 12.579 4.004 632 HA SER 76 HA SER 76 -5.195 12.974 2.488 633 HB2 SER 76 HB2 SER 76 -2.271 12.874 1.759 634 HB3 SER 76 HB3 SER 76 -3.520 13.092 0.534 635 HG SER 76 HG SER 76 -3.651 15.097 1.112 636 H LEU 77 H LEU 77 -3.183 10.252 3.081 637 HA LEU 77 HA LEU 77 -3.843 8.715 0.813 638 HB2 LEU 77 HB2 LEU 77 -2.596 8.239 3.439 639 HB3 LEU 77 HB3 LEU 77 -3.375 6.841 2.722 640 HG LEU 77 HG LEU 77 -0.897 7.123 2.261 641 HD11 LEU 77 HD11 LEU 77 -1.074 6.117 0.171 642 HD12 LEU 77 HD12 LEU 77 -2.504 7.052 -0.265 643 HD13 LEU 77 HD13 LEU 77 -2.625 5.764 0.933 644 HD21 LEU 77 HD21 LEU 77 -1.714 9.679 1.472 645 HD22 LEU 77 HD22 LEU 77 -1.288 8.838 -0.018 646 HD23 LEU 77 HD23 LEU 77 -0.113 8.962 1.292 647 H ARG 78 H ARG 78 -5.356 9.253 3.899 648 HA ARG 78 HA ARG 78 -7.221 7.183 3.894 649 HB2 ARG 78 HB2 ARG 78 -6.831 9.676 5.316 650 HB3 ARG 78 HB3 ARG 78 -8.538 9.378 5.022 651 HG2 ARG 78 HG2 ARG 78 -8.625 7.682 6.484 652 HG3 ARG 78 HG3 ARG 78 -7.045 7.055 6.007 653 HD2 ARG 78 HD2 ARG 78 -6.620 7.758 8.156 654 HD3 ARG 78 HD3 ARG 78 -6.154 9.184 7.230 655 HE ARG 78 HE ARG 78 -8.882 9.319 7.991 656 HH11 ARG 78 HH11 ARG 78 -5.649 9.678 9.255 657 HH12 ARG 78 HH12 ARG 78 -6.126 10.780 10.503 658 HH21 ARG 78 HH21 ARG 78 -9.510 10.768 9.632 659 HH22 ARG 78 HH22 ARG 78 -8.317 11.399 10.717 660 H LYS 79 H LYS 79 -7.101 10.134 2.089 661 HA LYS 79 HA LYS 79 -9.841 9.855 1.176 662 HB2 LYS 79 HB2 LYS 79 -7.926 12.000 1.318 663 HB3 LYS 79 HB3 LYS 79 -8.577 11.871 -0.310 664 HG2 LYS 79 HG2 LYS 79 -10.864 11.938 0.671 665 HG3 LYS 79 HG3 LYS 79 -10.124 12.257 2.241 666 HD2 LYS 79 HD2 LYS 79 -9.595 14.391 1.706 667 HD3 LYS 79 HD3 LYS 79 -9.243 13.992 0.023 668 HE2 LYS 79 HE2 LYS 79 -11.433 14.227 -0.633 669 HE3 LYS 79 HE3 LYS 79 -12.064 13.865 0.973 670 HZ1 LYS 79 HZ1 LYS 79 -11.515 16.380 -0.188 671 HZ2 LYS 79 HZ2 LYS 79 -10.583 16.195 1.211 672 HZ3 LYS 79 HZ3 LYS 79 -12.265 16.033 1.288 673 H LYS 80 H LYS 80 -6.627 9.929 -0.245 674 HA LYS 80 HA LYS 80 -7.431 9.252 -2.853 675 HB2 LYS 80 HB2 LYS 80 -4.823 9.186 -1.392 676 HB3 LYS 80 HB3 LYS 80 -4.944 8.465 -2.992 677 HG2 LYS 80 HG2 LYS 80 -4.124 10.703 -3.205 678 HG3 LYS 80 HG3 LYS 80 -5.762 10.634 -3.859 679 HD2 LYS 80 HD2 LYS 80 -6.613 11.527 -1.715 680 HD3 LYS 80 HD3 LYS 80 -4.949 11.673 -1.145 681 HE2 LYS 80 HE2 LYS 80 -4.506 13.464 -2.475 682 HE3 LYS 80 HE3 LYS 80 -5.605 12.930 -3.746 683 HZ1 LYS 80 HZ1 LYS 80 -7.467 13.665 -2.451 684 HZ2 LYS 80 HZ2 LYS 80 -6.367 14.943 -2.581 685 HZ3 LYS 80 HZ3 LYS 80 -6.472 14.062 -1.141 686 H LEU 81 H LEU 81 -5.814 7.270 -0.436 687 HA LEU 81 HA LEU 81 -6.073 4.825 -1.778 688 HB2 LEU 81 HB2 LEU 81 -4.526 5.229 0.101 689 HB3 LEU 81 HB3 LEU 81 -5.891 5.313 1.194 690 HG LEU 81 HG LEU 81 -6.266 3.030 1.134 691 HD11 LEU 81 HD11 LEU 81 -6.505 2.365 -1.035 692 HD12 LEU 81 HD12 LEU 81 -4.941 1.640 -0.666 693 HD13 LEU 81 HD13 LEU 81 -5.020 3.157 -1.561 694 HD21 LEU 81 HD21 LEU 81 -4.371 2.953 2.351 695 HD22 LEU 81 HD22 LEU 81 -3.420 3.788 1.124 696 HD23 LEU 81 HD23 LEU 81 -3.763 2.067 0.953 697 H GLY 82 H GLY 82 -7.841 5.688 1.201 698 HA2 GLY 82 HA2 GLY 82 -10.304 5.693 1.129 699 HA3 GLY 82 HA3 GLY 82 -10.191 4.304 0.059 700 H ALA 83 H ALA 83 -10.923 2.570 1.080 701 HA ALA 83 HA ALA 83 -11.048 2.285 3.877 702 HB1 ALA 83 HB1 ALA 83 -12.211 0.394 3.467 703 HB2 ALA 83 HB2 ALA 83 -11.064 -0.179 2.255 704 HB3 ALA 83 HB3 ALA 83 -12.259 1.046 1.829 705 H TYR 84 H TYR 84 -8.451 1.827 1.721 706 HA TYR 84 HA TYR 84 -7.076 -0.109 3.381 707 HB2 TYR 84 HB2 TYR 84 -6.749 0.983 0.688 708 HB3 TYR 84 HB3 TYR 84 -5.226 0.837 1.556 709 HD1 TYR 84 HD1 TYR 84 -8.154 -1.402 1.930 710 HD2 TYR 84 HD2 TYR 84 -4.235 -0.931 0.343 711 HE1 TYR 84 HE1 TYR 84 -8.085 -3.802 1.402 712 HE2 TYR 84 HE2 TYR 84 -4.157 -3.330 -0.192 713 HH TYR 84 HH TYR 84 -5.889 -5.554 1.073 714 H GLY 85 H GLY 85 -7.155 3.338 2.865 715 HA2 GLY 85 HA2 GLY 85 -4.685 4.092 3.921 716 HA3 GLY 85 HA3 GLY 85 -6.148 5.061 4.007 717 H SER 86 H SER 86 -7.667 3.183 5.540 718 HA SER 86 HA SER 86 -6.805 3.928 8.151 719 HB2 SER 86 HB2 SER 86 -8.734 2.010 8.555 720 HB3 SER 86 HB3 SER 86 -9.051 3.727 8.316 721 HG SER 86 HG SER 86 -9.402 1.588 6.578 722 H ARG 87 H ARG 87 -6.000 1.355 6.086 723 HA ARG 87 HA ARG 87 -5.682 -0.819 7.763 724 HB2 ARG 87 HB2 ARG 87 -5.259 -0.653 5.246 725 HB3 ARG 87 HB3 ARG 87 -3.654 -0.072 5.664 726 HG2 ARG 87 HG2 ARG 87 -3.029 -2.112 6.604 727 HG3 ARG 87 HG3 ARG 87 -4.699 -2.661 6.747 728 HD2 ARG 87 HD2 ARG 87 -4.196 -2.107 4.009 729 HD3 ARG 87 HD3 ARG 87 -2.858 -3.079 4.617 730 HE ARG 87 HE ARG 87 -4.302 -4.855 4.922 731 HH11 ARG 87 HH11 ARG 87 -6.112 -1.988 4.081 732 HH12 ARG 87 HH12 ARG 87 -7.578 -2.856 3.773 733 HH21 ARG 87 HH21 ARG 87 -6.231 -5.991 4.518 734 HH22 ARG 87 HH22 ARG 87 -7.647 -5.125 4.022 735 H ILE 88 H ILE 88 -3.538 1.956 7.298 736 HA ILE 88 HA ILE 88 -1.374 1.049 8.841 737 HB ILE 88 HB ILE 88 -2.277 3.921 8.583 738 HG12 ILE 88 HG12 ILE 88 -0.507 2.290 6.747 739 HG13 ILE 88 HG13 ILE 88 -2.122 2.879 6.367 740 HG21 ILE 88 HG21 ILE 88 0.337 2.620 9.288 741 HG22 ILE 88 HG22 ILE 88 -0.585 3.808 10.210 742 HG23 ILE 88 HG23 ILE 88 0.239 4.290 8.726 743 HD11 ILE 88 HD11 ILE 88 -0.447 4.260 5.318 744 HD12 ILE 88 HD12 ILE 88 0.314 4.567 6.880 745 HD13 ILE 88 HD13 ILE 88 -1.306 5.182 6.552 746 H VAL 89 H VAL 89 -1.754 0.201 10.822 747 HA VAL 89 HA VAL 89 -3.559 1.584 12.653 748 HB VAL 89 HB VAL 89 -2.120 -1.043 13.039 749 HG11 VAL 89 HG11 VAL 89 -2.742 -0.135 15.152 750 HG12 VAL 89 HG12 VAL 89 -3.910 -1.395 14.754 751 HG13 VAL 89 HG13 VAL 89 -4.344 0.304 14.558 752 HG21 VAL 89 HG21 VAL 89 -4.718 -0.347 11.757 753 HG22 VAL 89 HG22 VAL 89 -4.589 -1.851 12.667 754 HG23 VAL 89 HG23 VAL 89 -3.522 -1.557 11.294 755 H THR 90 H THR 90 -2.931 1.987 14.860 756 HA THR 90 HA THR 90 -0.048 2.503 15.178 757 HB THR 90 HB THR 90 -2.237 4.196 16.380 758 HG1 THR 90 HG1 THR 90 -1.902 5.623 14.687 759 HG21 THR 90 HG21 THR 90 -0.509 5.021 17.511 760 HG22 THR 90 HG22 THR 90 -0.061 5.788 15.987 761 HG23 THR 90 HG23 THR 90 0.674 4.253 16.452 762 H LEU 91 H LEU 91 0.232 0.544 16.289 763 HA LEU 91 HA LEU 91 -1.343 -0.209 18.529 764 HB2 LEU 91 HB2 LEU 91 1.108 -1.160 17.198 765 HB3 LEU 91 HB3 LEU 91 0.997 -1.536 18.906 766 HG LEU 91 HG LEU 91 0.158 -3.350 17.448 767 HD11 LEU 91 HD11 LEU 91 -1.850 -3.795 18.700 768 HD12 LEU 91 HD12 LEU 91 -1.997 -2.092 19.136 769 HD13 LEU 91 HD13 LEU 91 -0.654 -3.050 19.760 770 HD21 LEU 91 HD21 LEU 91 -1.524 -1.141 16.435 771 HD22 LEU 91 HD22 LEU 91 -2.308 -2.708 16.631 772 HD23 LEU 91 HD23 LEU 91 -0.883 -2.558 15.603 773 H ARG 92 H ARG 92 -1.276 0.478 20.559 774 HA ARG 92 HA ARG 92 0.598 2.494 21.359 775 HB2 ARG 92 HB2 ARG 92 -1.854 2.295 22.066 776 HB3 ARG 92 HB3 ARG 92 -1.320 1.037 23.171 777 HG2 ARG 92 HG2 ARG 92 0.330 3.371 23.455 778 HG3 ARG 92 HG3 ARG 92 -1.375 3.797 23.615 779 HD2 ARG 92 HD2 ARG 92 -1.150 1.468 25.082 780 HD3 ARG 92 HD3 ARG 92 0.360 2.312 25.420 781 HE ARG 92 HE ARG 92 -0.816 3.867 26.616 782 HH11 ARG 92 HH11 ARG 92 -3.046 2.023 24.666 783 HH12 ARG 92 HH12 ARG 92 -4.454 2.712 25.402 784 HH21 ARG 92 HH21 ARG 92 -2.667 4.773 27.587 785 HH22 ARG 92 HH22 ARG 92 -4.239 4.273 27.060 786 H GLY 93 H GLY 93 2.452 0.983 20.905 787 HA2 GLY 93 HA2 GLY 93 4.052 0.411 22.904 788 HA3 GLY 93 HA3 GLY 93 2.949 -0.951 23.046 789 H VAL 94 H VAL 94 2.568 -1.075 20.117 790 HA VAL 94 HA VAL 94 4.985 -2.604 19.524 791 HB VAL 94 HB VAL 94 2.597 -2.471 17.710 792 HG11 VAL 94 HG11 VAL 94 4.010 -3.812 16.602 793 HG12 VAL 94 HG12 VAL 94 3.492 -5.040 17.756 794 HG13 VAL 94 HG13 VAL 94 4.983 -4.139 18.036 795 HG21 VAL 94 HG21 VAL 94 1.831 -2.920 20.062 796 HG22 VAL 94 HG22 VAL 94 2.815 -4.383 20.028 797 HG23 VAL 94 HG23 VAL 94 1.472 -4.197 18.900 798 H GLY 95 H GLY 95 2.954 -0.087 18.050 799 HA2 GLY 95 HA2 GLY 95 4.425 1.805 17.170 800 HA3 GLY 95 HA3 GLY 95 5.179 0.536 16.219 801 H TYR 96 H TYR 96 4.434 0.264 14.226 802 HA TYR 96 HA TYR 96 1.688 1.149 13.641 803 HB2 TYR 96 HB2 TYR 96 4.211 1.976 12.449 804 HB3 TYR 96 HB3 TYR 96 3.081 1.373 11.244 805 HD1 TYR 96 HD1 TYR 96 2.324 3.210 14.385 806 HD2 TYR 96 HD2 TYR 96 2.407 3.329 10.133 807 HE1 TYR 96 HE1 TYR 96 1.148 5.368 14.430 808 HE2 TYR 96 HE2 TYR 96 1.231 5.489 10.165 809 HH TYR 96 HH TYR 96 -0.347 6.701 11.803 810 H LEU 97 H LEU 97 0.513 -0.608 13.279 811 HA LEU 97 HA LEU 97 1.715 -2.802 11.723 812 HB2 LEU 97 HB2 LEU 97 1.063 -3.366 14.051 813 HB3 LEU 97 HB3 LEU 97 -0.591 -2.937 13.667 814 HG LEU 97 HG LEU 97 0.345 -5.457 13.611 815 HD11 LEU 97 HD11 LEU 97 -1.629 -6.048 12.434 816 HD12 LEU 97 HD12 LEU 97 -1.714 -4.469 11.655 817 HD13 LEU 97 HD13 LEU 97 -1.999 -4.613 13.389 818 HD21 LEU 97 HD21 LEU 97 1.889 -4.814 11.713 819 HD22 LEU 97 HD22 LEU 97 0.445 -4.653 10.714 820 HD23 LEU 97 HD23 LEU 97 0.851 -6.212 11.432 821 H PHE 98 H PHE 98 1.172 -1.896 9.716 822 HA PHE 98 HA PHE 98 -1.480 -1.105 9.061 823 HB2 PHE 98 HB2 PHE 98 -0.671 -1.055 6.729 824 HB3 PHE 98 HB3 PHE 98 0.415 -0.207 7.823 825 HD1 PHE 98 HD1 PHE 98 2.561 -1.292 8.500 826 HD2 PHE 98 HD2 PHE 98 0.058 -2.898 5.455 827 HE1 PHE 98 HE1 PHE 98 4.443 -2.638 7.666 828 HE2 PHE 98 HE2 PHE 98 1.937 -4.248 4.619 829 HZ PHE 98 HZ PHE 98 4.133 -4.117 5.724 830 H SER 99 H SER 99 -2.827 -2.823 9.676 831 HA SER 99 HA SER 99 -2.992 -4.938 7.686 832 HB2 SER 99 HB2 SER 99 -1.685 -5.516 10.007 833 HB3 SER 99 HB3 SER 99 -3.338 -5.959 10.431 834 HG SER 99 HG SER 99 -2.111 -6.826 8.036 835 H ASP 100 H ASP 100 -5.034 -5.381 7.150 836 HA ASP 100 HA ASP 100 -7.179 -4.653 9.013 837 HB2 ASP 100 HB2 ASP 100 -6.575 -3.265 6.647 838 HB3 ASP 100 HB3 ASP 100 -8.009 -4.219 6.284 839 H ASP 101 H ASP 101 -6.058 -6.630 6.390 840 HA ASP 101 HA ASP 101 -7.896 -8.711 7.132 841 HB2 ASP 101 HB2 ASP 101 -8.855 -7.090 5.237 842 HB3 ASP 101 HB3 ASP 101 -7.885 -8.144 4.213 843 H GLY 102 H GLY 102 -5.902 -7.973 4.267 844 HA2 GLY 102 HA2 GLY 102 -3.671 -8.913 4.047 845 HA3 GLY 102 HA3 GLY 102 -4.229 -10.303 4.965 846 H ASP 103 H ASP 103 -5.915 -8.720 2.293 847 HA ASP 103 HA ASP 103 -6.334 -11.212 0.982 848 HB2 ASP 103 HB2 ASP 103 -7.953 -9.317 0.915 849 HB3 ASP 103 HB3 ASP 103 -6.815 -8.428 -0.093 850 H LYS 104 H LYS 104 -3.931 -11.658 0.905 851 HA LYS 104 HA LYS 104 -2.239 -10.258 -0.844 852 HB2 LYS 104 HB2 LYS 104 -0.952 -12.470 -0.792 853 HB3 LYS 104 HB3 LYS 104 -1.169 -11.623 0.726 854 HG2 LYS 104 HG2 LYS 104 -3.342 -13.446 0.288 855 HG3 LYS 104 HG3 LYS 104 -1.798 -14.285 0.132 856 HD2 LYS 104 HD2 LYS 104 -1.116 -13.597 2.310 857 HD3 LYS 104 HD3 LYS 104 -2.481 -12.488 2.452 858 HE2 LYS 104 HE2 LYS 104 -3.480 -14.160 3.557 859 HE3 LYS 104 HE3 LYS 104 -3.729 -14.868 1.962 860 HZ1 LYS 104 HZ1 LYS 104 -1.943 -16.301 2.234 861 HZ2 LYS 104 HZ2 LYS 104 -2.655 -16.298 3.768 862 HZ3 LYS 104 HZ3 LYS 104 -1.255 -15.393 3.485 863 H LYS 105 H LYS 105 -1.602 -10.688 -2.956 864 HA LYS 105 HA LYS 105 -3.616 -11.589 -4.713 865 HB2 LYS 105 HB2 LYS 105 -1.365 -10.059 -4.972 866 HB3 LYS 105 HB3 LYS 105 -0.878 -11.539 -5.787 867 HG2 LYS 105 HG2 LYS 105 -1.793 -10.456 -7.550 868 HG3 LYS 105 HG3 LYS 105 -3.253 -11.232 -6.933 869 HD2 LYS 105 HD2 LYS 105 -2.569 -8.594 -5.784 870 HD3 LYS 105 HD3 LYS 105 -3.095 -8.608 -7.469 871 HE2 LYS 105 HE2 LYS 105 -5.154 -9.679 -6.885 872 HE3 LYS 105 HE3 LYS 105 -4.611 -9.931 -5.226 873 HZ1 LYS 105 HZ1 LYS 105 -5.078 -7.817 -4.660 874 HZ2 LYS 105 HZ2 LYS 105 -6.146 -7.899 -5.968 875 HZ3 LYS 105 HZ3 LYS 105 -4.627 -7.179 -6.161 876 H PHE 106 H PHE 106 -3.840 -13.459 -5.886 877 HA PHE 106 HA PHE 106 -2.853 -15.843 -4.738 878 HB2 PHE 106 HB2 PHE 106 -4.707 -15.095 -6.852 879 HB3 PHE 106 HB3 PHE 106 -3.778 -16.530 -7.271 880 HD1 PHE 106 HD1 PHE 106 -3.912 -18.545 -5.868 881 HD2 PHE 106 HD2 PHE 106 -6.363 -15.142 -5.146 882 HE1 PHE 106 HE1 PHE 106 -5.400 -19.918 -4.471 883 HE2 PHE 106 HE2 PHE 106 -7.855 -16.509 -3.746 884 HZ PHE 106 HZ PHE 106 -7.375 -18.900 -3.408 885 H SER 107 H SER 107 -1.676 -17.546 -5.938 886 HA SER 107 HA SER 107 0.816 -16.588 -6.852 887 HB2 SER 107 HB2 SER 107 -0.420 -19.190 -6.325 888 HB3 SER 107 HB3 SER 107 0.735 -19.225 -7.657 889 HG SER 107 HG SER 107 1.252 -18.173 -5.071 890 H GLN 108 H GLN 108 1.669 -16.379 -8.869 891 HA GLN 108 HA GLN 108 -0.095 -15.968 -11.038 892 HB2 GLN 108 HB2 GLN 108 2.918 -16.196 -11.001 893 HB3 GLN 108 HB3 GLN 108 1.968 -15.617 -12.363 894 HG2 GLN 108 HG2 GLN 108 1.482 -13.624 -11.361 895 HG3 GLN 108 HG3 GLN 108 1.626 -14.282 -9.731 896 HE21 GLN 108 HE21 GLN 108 3.608 -13.677 -12.611 897 HE22 GLN 108 HE22 GLN 108 5.006 -13.143 -11.747 898 H GLN 109 H GLN 109 1.896 -18.660 -10.034 899 HA GLN 109 HA GLN 109 1.971 -20.123 -12.410 900 HB2 GLN 109 HB2 GLN 109 3.019 -20.504 -9.977 901 HB3 GLN 109 HB3 GLN 109 1.658 -21.611 -9.856 902 HG2 GLN 109 HG2 GLN 109 2.750 -23.136 -11.020 903 HG3 GLN 109 HG3 GLN 109 2.949 -22.012 -12.364 904 HE21 GLN 109 HE21 GLN 109 4.292 -22.591 -9.128 905 HE22 GLN 109 HE22 GLN 109 5.939 -22.328 -9.578 906 H ASP 110 H ASP 110 0.315 -20.755 -13.611 907 HA ASP 110 HA ASP 110 -2.162 -21.606 -12.263 908 HB2 ASP 110 HB2 ASP 110 -2.284 -19.563 -13.752 909 HB3 ASP 110 HB3 ASP 110 -1.935 -20.628 -15.111 910 H THR 111 H THR 111 0.433 -22.618 -14.229 911 HA THR 111 HA THR 111 -0.709 -24.594 -15.817 912 HB THR 111 HB THR 111 1.595 -23.938 -16.113 913 HG1 THR 111 HG1 THR 111 2.549 -26.028 -16.160 914 HG21 THR 111 HG21 THR 111 3.004 -23.644 -14.444 915 HG22 THR 111 HG22 THR 111 2.937 -25.368 -14.075 916 HG23 THR 111 HG23 THR 111 1.801 -24.258 -13.309 917 H LYS 112 H LYS 112 -1.001 -26.822 -15.554 918 HA LYS 112 HA LYS 112 -2.083 -27.640 -13.097 919 HB2 LYS 112 HB2 LYS 112 -1.528 -28.887 -15.712 920 HB3 LYS 112 HB3 LYS 112 -1.597 -30.003 -14.355 921 HG2 LYS 112 HG2 LYS 112 -3.823 -29.045 -13.772 922 HG3 LYS 112 HG3 LYS 112 -3.749 -28.108 -15.266 923 HD2 LYS 112 HD2 LYS 112 -4.200 -29.899 -16.557 924 HD3 LYS 112 HD3 LYS 112 -3.209 -30.981 -15.577 925 HE2 LYS 112 HE2 LYS 112 -5.276 -30.426 -13.885 926 HE3 LYS 112 HE3 LYS 112 -6.083 -30.418 -15.452 927 HZ1 LYS 112 HZ1 LYS 112 -4.603 -32.625 -14.161 928 HZ2 LYS 112 HZ2 LYS 112 -4.895 -32.620 -15.826 929 HZ3 LYS 112 HZ3 LYS 112 -6.192 -32.617 -14.741 930 H LEU 113 H LEU 113 -1.374 -29.351 -11.684 931 HA LEU 113 HA LEU 113 1.279 -29.034 -10.804 932 HB2 LEU 113 HB2 LEU 113 -0.912 -29.900 -9.604 933 HB3 LEU 113 HB3 LEU 113 -0.284 -31.467 -10.077 934 HG LEU 113 HG LEU 113 0.347 -30.864 -7.778 935 HD11 LEU 113 HD11 LEU 113 1.814 -32.213 -9.424 936 HD12 LEU 113 HD12 LEU 113 2.519 -31.654 -7.908 937 HD13 LEU 113 HD13 LEU 113 2.854 -30.789 -9.407 938 HD21 LEU 113 HD21 LEU 113 1.370 -28.941 -7.186 939 HD22 LEU 113 HD22 LEU 113 0.610 -28.339 -8.659 940 HD23 LEU 113 HD23 LEU 113 2.299 -28.847 -8.683 941 H SER 114 H SER 114 3.112 -29.980 -11.421 942 HA SER 114 HA SER 114 3.190 -32.661 -12.411 943 HB2 SER 114 HB2 SER 114 2.512 -31.327 -14.432 944 HB3 SER 114 HB3 SER 114 4.048 -30.469 -14.308 945 HG SER 114 HG SER 114 3.517 -32.953 -15.294 946 H LEU 115 H LEU 115 4.668 -33.105 -10.818 947 HA LEU 115 HA LEU 115 6.872 -31.517 -10.136 948 HB2 LEU 115 HB2 LEU 115 5.988 -34.295 -9.657 949 HB3 LEU 115 HB3 LEU 115 7.701 -33.999 -9.466 950 HG LEU 115 HG LEU 115 7.404 -32.624 -7.625 951 HD11 LEU 115 HD11 LEU 115 4.606 -32.168 -8.628 952 HD12 LEU 115 HD12 LEU 115 5.910 -30.993 -8.458 953 HD13 LEU 115 HD13 LEU 115 5.143 -31.673 -7.023 954 HD21 LEU 115 HD21 LEU 115 6.834 -34.804 -6.917 955 HD22 LEU 115 HD22 LEU 115 5.219 -34.688 -7.618 956 HD23 LEU 115 HD23 LEU 115 5.635 -33.728 -6.197 957 H GLU 116 H GLU 116 6.738 -34.454 -12.155 958 HA GLU 116 HA GLU 116 9.130 -33.482 -13.565 959 HB2 GLU 116 HB2 GLU 116 9.094 -35.682 -11.878 960 HB3 GLU 116 HB3 GLU 116 8.924 -36.391 -13.478 961 HG2 GLU 116 HG2 GLU 116 11.039 -35.946 -14.030 962 HG3 GLU 116 HG3 GLU 116 10.985 -34.331 -13.324 Start of MODEL 3 1 H1 HIS 1 H1 HIS 1 9.774 -15.194 -1.326 2 H2 HIS 1 H2 HIS 1 10.878 -16.191 -0.469 3 H3 HIS 1 H3 HIS 1 9.925 -15.039 0.374 4 HA HIS 1 HA HIS 1 8.750 -17.229 -1.182 5 HB2 HIS 1 HB2 HIS 1 10.437 -17.817 0.754 6 HB3 HIS 1 HB3 HIS 1 9.099 -17.338 1.792 7 HD1 HIS 1 HD1 HIS 1 8.696 -19.712 2.666 8 HD2 HIS 1 HD2 HIS 1 8.399 -19.382 -1.465 9 HE1 HIS 1 HE1 HIS 1 7.677 -21.876 1.890 10 HE2 HIS 1 HE2 HIS 1 7.427 -21.619 -0.604 11 H SER 2 H SER 2 8.403 -15.471 1.907 12 HA SER 2 HA SER 2 5.534 -15.231 1.387 13 HB2 SER 2 HB2 SER 2 5.502 -14.422 3.805 14 HB3 SER 2 HB3 SER 2 5.970 -16.104 3.555 15 HG SER 2 HG SER 2 7.358 -14.949 5.010 16 H VAL 3 H VAL 3 5.165 -13.514 0.098 17 HA VAL 3 HA VAL 3 5.634 -10.887 1.175 18 HB VAL 3 HB VAL 3 7.772 -11.251 0.056 19 HG11 VAL 3 HG11 VAL 3 8.039 -12.136 -1.992 20 HG12 VAL 3 HG12 VAL 3 6.652 -11.275 -2.659 21 HG13 VAL 3 HG13 VAL 3 6.409 -12.757 -1.735 22 HG21 VAL 3 HG21 VAL 3 6.983 -8.998 0.062 23 HG22 VAL 3 HG22 VAL 3 5.930 -9.303 -1.320 24 HG23 VAL 3 HG23 VAL 3 7.682 -9.314 -1.526 25 HA PRO 4 HA PRO 4 1.543 -11.136 -0.864 26 HB2 PRO 4 HB2 PRO 4 1.471 -8.438 0.399 27 HB3 PRO 4 HB3 PRO 4 0.256 -9.721 0.415 28 HG2 PRO 4 HG2 PRO 4 1.755 -9.243 2.563 29 HG3 PRO 4 HG3 PRO 4 1.330 -10.900 2.097 30 HD2 PRO 4 HD2 PRO 4 3.915 -9.445 1.783 31 HD3 PRO 4 HD3 PRO 4 3.619 -11.160 2.130 32 H GLU 5 H GLU 5 2.509 -10.962 -2.967 33 HA GLU 5 HA GLU 5 3.082 -8.264 -3.916 34 HB2 GLU 5 HB2 GLU 5 3.699 -11.026 -4.869 35 HB3 GLU 5 HB3 GLU 5 3.708 -9.696 -6.012 36 HG2 GLU 5 HG2 GLU 5 5.285 -8.510 -4.483 37 HG3 GLU 5 HG3 GLU 5 5.381 -9.999 -3.549 38 H SER 6 H SER 6 0.412 -9.068 -3.296 39 HA SER 6 HA SER 6 -0.921 -8.138 -5.618 40 HB2 SER 6 HB2 SER 6 -2.111 -10.046 -6.338 41 HB3 SER 6 HB3 SER 6 -0.453 -10.614 -6.142 42 HG SER 6 HG SER 6 -1.378 -12.074 -4.936 43 H ILE 7 H ILE 7 -3.050 -7.517 -5.184 44 HA ILE 7 HA ILE 7 -4.004 -8.041 -2.448 45 HB ILE 7 HB ILE 7 -4.185 -5.386 -3.873 46 HG12 ILE 7 HG12 ILE 7 -2.714 -5.409 -1.372 47 HG13 ILE 7 HG13 ILE 7 -1.983 -6.492 -2.550 48 HG21 ILE 7 HG21 ILE 7 -6.070 -5.725 -2.424 49 HG22 ILE 7 HG22 ILE 7 -4.971 -4.573 -1.664 50 HG23 ILE 7 HG23 ILE 7 -5.018 -6.246 -1.108 51 HD11 ILE 7 HD11 ILE 7 -1.983 -4.596 -4.169 52 HD12 ILE 7 HD12 ILE 7 -0.951 -4.365 -2.758 53 HD13 ILE 7 HD13 ILE 7 -2.512 -3.550 -2.851 54 H ARG 8 H ARG 8 -6.288 -7.897 -2.150 55 HA ARG 8 HA ARG 8 -8.096 -7.456 -4.286 56 HB2 ARG 8 HB2 ARG 8 -6.899 -9.863 -4.564 57 HB3 ARG 8 HB3 ARG 8 -8.243 -10.312 -3.524 58 HG2 ARG 8 HG2 ARG 8 -9.569 -8.864 -5.340 59 HG3 ARG 8 HG3 ARG 8 -8.232 -9.434 -6.340 60 HD2 ARG 8 HD2 ARG 8 -8.736 -11.740 -5.695 61 HD3 ARG 8 HD3 ARG 8 -10.070 -11.169 -4.693 62 HE ARG 8 HE ARG 8 -11.345 -10.927 -6.581 63 HH11 ARG 8 HH11 ARG 8 -8.004 -11.321 -7.510 64 HH12 ARG 8 HH12 ARG 8 -8.361 -11.474 -9.197 65 HH21 ARG 8 HH21 ARG 8 -11.816 -11.128 -8.801 66 HH22 ARG 8 HH22 ARG 8 -10.525 -11.364 -9.931 67 H PHE 9 H PHE 9 -9.017 -6.183 -2.629 68 HA PHE 9 HA PHE 9 -10.241 -7.670 -0.411 69 HB2 PHE 9 HB2 PHE 9 -10.642 -5.356 0.545 70 HB3 PHE 9 HB3 PHE 9 -8.957 -5.849 0.423 71 HD1 PHE 9 HD1 PHE 9 -7.515 -4.893 -1.333 72 HD2 PHE 9 HD2 PHE 9 -11.485 -3.506 -0.682 73 HE1 PHE 9 HE1 PHE 9 -7.006 -2.851 -2.608 74 HE2 PHE 9 HE2 PHE 9 -10.985 -1.463 -1.958 75 HZ PHE 9 HZ PHE 9 -8.743 -1.133 -2.923 76 H GLY 10 H GLY 10 -11.781 -8.497 -2.067 77 HA2 GLY 10 HA2 GLY 10 -14.111 -8.484 -2.427 78 HA3 GLY 10 HA3 GLY 10 -14.124 -6.753 -2.121 79 HA PRO 11 HA PRO 11 -14.373 -6.946 -6.647 80 HB2 PRO 11 HB2 PRO 11 -16.060 -4.915 -6.999 81 HB3 PRO 11 HB3 PRO 11 -16.627 -6.462 -6.359 82 HG2 PRO 11 HG2 PRO 11 -16.048 -3.912 -4.917 83 HG3 PRO 11 HG3 PRO 11 -17.355 -5.079 -4.652 84 HD2 PRO 11 HD2 PRO 11 -14.990 -4.930 -3.182 85 HD3 PRO 11 HD3 PRO 11 -16.081 -6.328 -3.240 86 H ASN 12 H ASN 12 -12.185 -5.650 -5.168 87 HA ASN 12 HA ASN 12 -11.508 -3.655 -7.163 88 HB2 ASN 12 HB2 ASN 12 -11.921 -3.030 -4.266 89 HB3 ASN 12 HB3 ASN 12 -10.660 -2.181 -5.152 90 HD21 ASN 12 HD21 ASN 12 -11.233 -0.391 -6.144 91 HD22 ASN 12 HD22 ASN 12 -12.841 0.055 -6.591 92 H VAL 13 H VAL 13 -9.978 -5.260 -7.773 93 HA VAL 13 HA VAL 13 -8.020 -6.263 -5.962 94 HB VAL 13 HB VAL 13 -7.705 -6.091 -8.957 95 HG11 VAL 13 HG11 VAL 13 -6.801 -8.366 -7.257 96 HG12 VAL 13 HG12 VAL 13 -5.866 -6.870 -7.256 97 HG13 VAL 13 HG13 VAL 13 -6.127 -7.746 -8.764 98 HG21 VAL 13 HG21 VAL 13 -9.850 -7.050 -8.688 99 HG22 VAL 13 HG22 VAL 13 -9.321 -8.033 -7.322 100 HG23 VAL 13 HG23 VAL 13 -8.744 -8.399 -8.948 101 H PHE 14 H PHE 14 -5.871 -5.645 -5.681 102 HA PHE 14 HA PHE 14 -5.131 -3.038 -6.838 103 HB2 PHE 14 HB2 PHE 14 -5.531 -3.701 -4.082 104 HB3 PHE 14 HB3 PHE 14 -3.828 -3.337 -4.331 105 HD1 PHE 14 HD1 PHE 14 -7.230 -2.011 -4.401 106 HD2 PHE 14 HD2 PHE 14 -3.108 -1.127 -4.982 107 HE1 PHE 14 HE1 PHE 14 -7.742 0.395 -4.346 108 HE2 PHE 14 HE2 PHE 14 -3.612 1.280 -4.928 109 HZ PHE 14 HZ PHE 14 -5.932 2.044 -4.609 110 H TYR 15 H TYR 15 -3.292 -3.075 -7.935 111 HA TYR 15 HA TYR 15 -1.515 -5.381 -7.619 112 HB2 TYR 15 HB2 TYR 15 -1.884 -3.354 -9.818 113 HB3 TYR 15 HB3 TYR 15 -0.499 -4.439 -9.776 114 HD1 TYR 15 HD1 TYR 15 -1.258 -7.008 -9.300 115 HD2 TYR 15 HD2 TYR 15 -3.628 -4.007 -11.165 116 HE1 TYR 15 HE1 TYR 15 -2.591 -8.755 -10.405 117 HE2 TYR 15 HE2 TYR 15 -4.967 -5.745 -12.274 118 HH TYR 15 HH TYR 15 -4.022 -8.977 -12.429 119 H VAL 16 H VAL 16 0.451 -5.215 -6.757 120 HA VAL 16 HA VAL 16 1.305 -2.658 -5.704 121 HB VAL 16 HB VAL 16 3.229 -4.043 -4.775 122 HG11 VAL 16 HG11 VAL 16 0.508 -5.019 -3.949 123 HG12 VAL 16 HG12 VAL 16 1.093 -3.396 -3.583 124 HG13 VAL 16 HG13 VAL 16 1.943 -4.804 -2.946 125 HG21 VAL 16 HG21 VAL 16 1.641 -6.493 -5.163 126 HG22 VAL 16 HG22 VAL 16 3.390 -6.266 -5.122 127 HG23 VAL 16 HG23 VAL 16 2.487 -5.897 -6.591 128 H LEU 17 H LEU 17 1.885 -4.466 -8.524 129 HA LEU 17 HA LEU 17 4.392 -2.999 -9.011 130 HB2 LEU 17 HB2 LEU 17 3.432 -5.607 -10.184 131 HB3 LEU 17 HB3 LEU 17 4.882 -4.764 -10.695 132 HG LEU 17 HG LEU 17 4.578 -5.512 -7.818 133 HD11 LEU 17 HD11 LEU 17 4.232 -7.645 -8.482 134 HD12 LEU 17 HD12 LEU 17 5.978 -7.604 -8.723 135 HD13 LEU 17 HD13 LEU 17 4.894 -7.368 -10.093 136 HD21 LEU 17 HD21 LEU 17 6.439 -4.088 -8.547 137 HD22 LEU 17 HD22 LEU 17 6.951 -5.346 -9.672 138 HD23 LEU 17 HD23 LEU 17 7.000 -5.644 -7.934 139 H LYS 18 H LYS 18 1.137 -3.317 -9.959 140 HA LYS 18 HA LYS 18 1.669 -2.105 -12.578 141 HB2 LYS 18 HB2 LYS 18 -0.988 -3.117 -11.579 142 HB3 LYS 18 HB3 LYS 18 -0.518 -2.772 -13.238 143 HG2 LYS 18 HG2 LYS 18 1.298 -4.641 -12.681 144 HG3 LYS 18 HG3 LYS 18 0.030 -5.144 -11.562 145 HD2 LYS 18 HD2 LYS 18 -1.438 -5.666 -13.245 146 HD3 LYS 18 HD3 LYS 18 -0.730 -4.502 -14.368 147 HE2 LYS 18 HE2 LYS 18 0.211 -6.290 -15.334 148 HE3 LYS 18 HE3 LYS 18 1.335 -6.249 -13.977 149 HZ1 LYS 18 HZ1 LYS 18 0.643 -8.342 -13.671 150 HZ2 LYS 18 HZ2 LYS 18 -0.775 -8.132 -14.568 151 HZ3 LYS 18 HZ3 LYS 18 -0.718 -7.640 -12.951 152 H LEU 19 H LEU 19 0.157 -1.510 -9.480 153 HA LEU 19 HA LEU 19 -0.636 0.392 -8.518 154 HB2 LEU 19 HB2 LEU 19 1.329 1.256 -10.372 155 HB3 LEU 19 HB3 LEU 19 -0.020 2.368 -10.495 156 HG LEU 19 HG LEU 19 0.255 2.228 -7.800 157 HD11 LEU 19 HD11 LEU 19 2.993 1.853 -8.995 158 HD12 LEU 19 HD12 LEU 19 2.189 0.831 -7.804 159 HD13 LEU 19 HD13 LEU 19 2.702 2.459 -7.365 160 HD21 LEU 19 HD21 LEU 19 0.921 4.421 -7.938 161 HD22 LEU 19 HD22 LEU 19 0.266 4.173 -9.556 162 HD23 LEU 19 HD23 LEU 19 2.008 4.120 -9.293 163 H THR 20 H THR 20 -2.205 -1.156 -10.474 164 HA THR 20 HA THR 20 -4.176 0.928 -11.134 165 HB THR 20 HB THR 20 -3.543 -1.507 -12.812 166 HG1 THR 20 HG1 THR 20 -2.278 -0.266 -13.926 167 HG21 THR 20 HG21 THR 20 -5.756 -1.099 -13.299 168 HG22 THR 20 HG22 THR 20 -4.917 -0.123 -14.505 169 HG23 THR 20 HG23 THR 20 -5.595 0.641 -13.067 170 H VAL 21 H VAL 21 -6.045 0.615 -10.134 171 HA VAL 21 HA VAL 21 -6.588 -1.950 -8.879 172 HB VAL 21 HB VAL 21 -8.327 0.506 -8.730 173 HG11 VAL 21 HG11 VAL 21 -8.850 -1.980 -7.872 174 HG12 VAL 21 HG12 VAL 21 -9.434 -0.532 -7.053 175 HG13 VAL 21 HG13 VAL 21 -7.991 -1.357 -6.463 176 HG21 VAL 21 HG21 VAL 21 -6.049 1.140 -8.105 177 HG22 VAL 21 HG22 VAL 21 -5.989 -0.197 -6.956 178 HG23 VAL 21 HG23 VAL 21 -7.118 1.134 -6.703 179 H GLU 22 H GLU 22 -7.871 -3.444 -9.731 180 HA GLU 22 HA GLU 22 -9.296 -2.920 -12.177 181 HB2 GLU 22 HB2 GLU 22 -8.599 -5.306 -10.562 182 HB3 GLU 22 HB3 GLU 22 -10.053 -5.427 -11.543 183 HG2 GLU 22 HG2 GLU 22 -8.681 -4.716 -13.508 184 HG3 GLU 22 HG3 GLU 22 -7.255 -4.857 -12.481 185 H THR 23 H THR 23 -11.160 -1.846 -12.069 186 HA THR 23 HA THR 23 -13.049 -2.523 -9.916 187 HB THR 23 HB THR 23 -13.672 -0.132 -11.483 188 HG1 THR 23 HG1 THR 23 -11.322 -0.091 -9.901 189 HG21 THR 23 HG21 THR 23 -13.574 -0.927 -8.639 190 HG22 THR 23 HG22 THR 23 -14.829 -0.081 -9.544 191 HG23 THR 23 HG23 THR 23 -13.388 0.786 -9.013 192 HA PRO 24 HA PRO 24 -15.749 -4.340 -12.903 193 HB2 PRO 24 HB2 PRO 24 -18.140 -3.980 -11.665 194 HB3 PRO 24 HB3 PRO 24 -16.954 -5.176 -11.138 195 HG2 PRO 24 HG2 PRO 24 -17.498 -2.446 -10.048 196 HG3 PRO 24 HG3 PRO 24 -17.218 -3.965 -9.176 197 HD2 PRO 24 HD2 PRO 24 -15.291 -2.116 -9.502 198 HD3 PRO 24 HD3 PRO 24 -14.930 -3.850 -9.456 199 H GLU 25 H GLU 25 -16.222 -1.055 -11.824 200 HA GLU 25 HA GLU 25 -17.787 -0.494 -14.256 201 HB2 GLU 25 HB2 GLU 25 -18.381 0.123 -11.609 202 HB3 GLU 25 HB3 GLU 25 -17.778 1.635 -12.271 203 HG2 GLU 25 HG2 GLU 25 -19.412 1.442 -14.110 204 HG3 GLU 25 HG3 GLU 25 -20.052 -0.014 -13.349 205 H GLY 26 H GLY 26 -14.877 -0.711 -14.077 206 HA2 GLY 26 HA2 GLY 26 -13.723 0.832 -15.743 207 HA3 GLY 26 HA3 GLY 26 -14.099 2.091 -14.576 208 H SER 27 H SER 27 -11.806 2.505 -14.511 209 HA SER 27 HA SER 27 -10.406 0.626 -12.728 210 HB2 SER 27 HB2 SER 27 -8.281 1.568 -13.915 211 HB3 SER 27 HB3 SER 27 -9.223 0.308 -14.713 212 HG SER 27 HG SER 27 -8.649 2.153 -16.052 213 H VAL 28 H VAL 28 -8.634 1.665 -11.479 214 HA VAL 28 HA VAL 28 -9.111 4.524 -10.990 215 HB VAL 28 HB VAL 28 -8.736 2.509 -8.775 216 HG11 VAL 28 HG11 VAL 28 -9.283 5.462 -8.850 217 HG12 VAL 28 HG12 VAL 28 -7.969 4.606 -8.043 218 HG13 VAL 28 HG13 VAL 28 -9.615 4.481 -7.422 219 HG21 VAL 28 HG21 VAL 28 -11.167 3.439 -10.162 220 HG22 VAL 28 HG22 VAL 28 -11.237 3.426 -8.400 221 HG23 VAL 28 HG23 VAL 28 -10.864 1.943 -9.278 222 H HIS 29 H HIS 29 -7.250 5.471 -11.519 223 HA HIS 29 HA HIS 29 -4.720 4.105 -11.084 224 HB2 HIS 29 HB2 HIS 29 -5.687 6.109 -12.891 225 HB3 HIS 29 HB3 HIS 29 -4.290 6.747 -12.030 226 HD1 HIS 29 HD1 HIS 29 -2.420 4.433 -11.879 227 HD2 HIS 29 HD2 HIS 29 -4.739 5.188 -15.243 228 HE1 HIS 29 HE1 HIS 29 -1.241 3.284 -13.779 229 HE2 HIS 29 HE2 HIS 29 -2.614 3.831 -15.820 230 H LEU 30 H LEU 30 -2.877 5.489 -10.203 231 HA LEU 30 HA LEU 30 -3.451 7.587 -8.385 232 HB2 LEU 30 HB2 LEU 30 -3.403 6.558 -6.317 233 HB3 LEU 30 HB3 LEU 30 -4.373 5.448 -7.265 234 HG LEU 30 HG LEU 30 -1.495 5.112 -6.438 235 HD11 LEU 30 HD11 LEU 30 -2.686 2.890 -5.635 236 HD12 LEU 30 HD12 LEU 30 -4.095 3.951 -5.607 237 HD13 LEU 30 HD13 LEU 30 -2.671 4.350 -4.646 238 HD21 LEU 30 HD21 LEU 30 -3.107 3.692 -8.507 239 HD22 LEU 30 HD22 LEU 30 -1.906 2.806 -7.566 240 HD23 LEU 30 HD23 LEU 30 -1.416 4.190 -8.543 241 H THR 31 H THR 31 -1.507 8.007 -6.912 242 HA THR 31 HA THR 31 0.865 7.849 -8.549 243 HB THR 31 HB THR 31 1.856 9.369 -6.976 244 HG1 THR 31 HG1 THR 31 -0.289 8.610 -5.302 245 HG21 THR 31 HG21 THR 31 0.612 10.887 -8.030 246 HG22 THR 31 HG22 THR 31 -0.348 10.899 -6.550 247 HG23 THR 31 HG23 THR 31 -0.851 9.910 -7.921 248 HA PRO 32 HA PRO 32 2.445 4.233 -6.527 249 HB2 PRO 32 HB2 PRO 32 5.027 4.380 -7.342 250 HB3 PRO 32 HB3 PRO 32 3.712 3.886 -8.413 251 HG2 PRO 32 HG2 PRO 32 5.055 6.548 -8.162 252 HG3 PRO 32 HG3 PRO 32 4.564 5.676 -9.626 253 HD2 PRO 32 HD2 PRO 32 3.115 7.715 -8.569 254 HD3 PRO 32 HD3 PRO 32 2.375 6.365 -9.452 255 H SER 33 H SER 33 3.571 7.416 -5.885 256 HA SER 33 HA SER 33 5.425 6.633 -3.837 257 HB2 SER 33 HB2 SER 33 4.254 9.372 -4.360 258 HB3 SER 33 HB3 SER 33 5.686 9.010 -3.396 259 HG SER 33 HG SER 33 5.371 9.118 -6.145 260 H GLU 34 H GLU 34 2.121 7.723 -4.007 261 HA GLU 34 HA GLU 34 1.870 7.715 -1.118 262 HB2 GLU 34 HB2 GLU 34 -0.375 8.034 -3.105 263 HB3 GLU 34 HB3 GLU 34 -0.342 8.553 -1.425 264 HG2 GLU 34 HG2 GLU 34 1.137 10.326 -1.899 265 HG3 GLU 34 HG3 GLU 34 1.496 9.694 -3.505 266 H SER 35 H SER 35 0.932 5.843 -3.894 267 HA SER 35 HA SER 35 -0.545 3.922 -2.355 268 HB2 SER 35 HB2 SER 35 -1.068 2.935 -4.359 269 HB3 SER 35 HB3 SER 35 -0.598 4.519 -4.968 270 HG SER 35 HG SER 35 0.463 2.190 -5.578 271 H GLY 36 H GLY 36 2.731 4.606 -3.000 272 HA2 GLY 36 HA2 GLY 36 3.812 1.997 -2.824 273 HA3 GLY 36 HA3 GLY 36 4.682 3.495 -2.541 274 H ILE 37 H ILE 37 2.805 4.361 -0.462 275 HA ILE 37 HA ILE 37 4.117 3.146 1.755 276 HB ILE 37 HB ILE 37 1.674 4.921 1.756 277 HG12 ILE 37 HG12 ILE 37 3.834 6.373 2.702 278 HG13 ILE 37 HG13 ILE 37 4.526 5.437 1.380 279 HG21 ILE 37 HG21 ILE 37 1.542 4.357 3.912 280 HG22 ILE 37 HG22 ILE 37 3.014 5.302 4.134 281 HG23 ILE 37 HG23 ILE 37 3.114 3.559 3.885 282 HD11 ILE 37 HD11 ILE 37 3.809 7.518 0.506 283 HD12 ILE 37 HD12 ILE 37 2.220 7.353 1.254 284 HD13 ILE 37 HD13 ILE 37 2.688 6.286 -0.070 285 H LEU 38 H LEU 38 1.079 2.617 0.161 286 HA LEU 38 HA LEU 38 0.047 0.901 2.233 287 HB2 LEU 38 HB2 LEU 38 -1.901 0.828 1.049 288 HB3 LEU 38 HB3 LEU 38 -1.238 2.321 0.423 289 HG LEU 38 HG LEU 38 -0.236 0.541 -1.372 290 HD11 LEU 38 HD11 LEU 38 -2.577 -0.691 -1.862 291 HD12 LEU 38 HD12 LEU 38 -2.591 -0.687 -0.098 292 HD13 LEU 38 HD13 LEU 38 -1.249 -1.430 -0.968 293 HD21 LEU 38 HD21 LEU 38 -2.979 1.455 -1.942 294 HD22 LEU 38 HD22 LEU 38 -1.487 1.696 -2.851 295 HD23 LEU 38 HD23 LEU 38 -1.837 2.703 -1.446 296 H LYS 39 H LYS 39 2.136 0.590 -0.449 297 HA LYS 39 HA LYS 39 1.700 -2.225 -0.839 298 HB2 LYS 39 HB2 LYS 39 2.476 -0.546 -2.615 299 HB3 LYS 39 HB3 LYS 39 4.055 -0.651 -1.849 300 HG2 LYS 39 HG2 LYS 39 3.086 -3.290 -2.321 301 HG3 LYS 39 HG3 LYS 39 2.938 -2.348 -3.805 302 HD2 LYS 39 HD2 LYS 39 5.104 -3.429 -3.731 303 HD3 LYS 39 HD3 LYS 39 5.304 -1.681 -3.584 304 HE2 LYS 39 HE2 LYS 39 5.707 -1.835 -1.252 305 HE3 LYS 39 HE3 LYS 39 5.186 -3.519 -1.205 306 HZ1 LYS 39 HZ1 LYS 39 7.185 -3.641 -2.972 307 HZ2 LYS 39 HZ2 LYS 39 7.378 -3.912 -1.314 308 HZ3 LYS 39 HZ3 LYS 39 7.743 -2.397 -1.970 309 H ARG 40 H ARG 40 3.960 -0.175 0.865 310 HA ARG 40 HA ARG 40 5.669 -2.387 1.580 311 HB2 ARG 40 HB2 ARG 40 6.930 -0.784 2.883 312 HB3 ARG 40 HB3 ARG 40 6.560 -0.084 1.314 313 HG2 ARG 40 HG2 ARG 40 5.789 1.690 2.389 314 HG3 ARG 40 HG3 ARG 40 4.442 0.689 2.933 315 HD2 ARG 40 HD2 ARG 40 7.060 1.097 4.372 316 HD3 ARG 40 HD3 ARG 40 5.508 1.799 4.815 317 HE ARG 40 HE ARG 40 4.769 -0.325 5.517 318 HH11 ARG 40 HH11 ARG 40 8.098 -0.378 4.445 319 HH12 ARG 40 HH12 ARG 40 8.457 -1.866 5.251 320 HH21 ARG 40 HH21 ARG 40 5.250 -2.277 6.569 321 HH22 ARG 40 HH22 ARG 40 6.844 -2.944 6.453 322 H LEU 41 H LEU 41 2.963 -0.708 2.920 323 HA LEU 41 HA LEU 41 3.239 -1.834 5.548 324 HB2 LEU 41 HB2 LEU 41 1.787 0.260 4.444 325 HB3 LEU 41 HB3 LEU 41 0.564 -0.928 4.851 326 HG LEU 41 HG LEU 41 1.505 -0.980 7.178 327 HD11 LEU 41 HD11 LEU 41 2.759 1.286 7.641 328 HD12 LEU 41 HD12 LEU 41 3.268 1.081 5.965 329 HD13 LEU 41 HD13 LEU 41 3.637 -0.165 7.157 330 HD21 LEU 41 HD21 LEU 41 0.309 1.501 5.996 331 HD22 LEU 41 HD22 LEU 41 0.610 1.352 7.727 332 HD23 LEU 41 HD23 LEU 41 -0.480 0.224 6.920 333 H LEU 42 H LEU 42 1.776 -2.729 2.552 334 HA LEU 42 HA LEU 42 -0.026 -4.663 3.608 335 HB2 LEU 42 HB2 LEU 42 0.599 -3.606 1.058 336 HB3 LEU 42 HB3 LEU 42 0.812 -5.342 0.954 337 HG LEU 42 HG LEU 42 -1.654 -4.733 2.315 338 HD11 LEU 42 HD11 LEU 42 -1.390 -3.586 -0.459 339 HD12 LEU 42 HD12 LEU 42 -1.552 -2.646 1.024 340 HD13 LEU 42 HD13 LEU 42 -2.868 -3.695 0.498 341 HD21 LEU 42 HD21 LEU 42 -1.115 -6.868 1.271 342 HD22 LEU 42 HD22 LEU 42 -1.052 -6.088 -0.310 343 HD23 LEU 42 HD23 LEU 42 -2.577 -6.173 0.571 344 H ILE 43 H ILE 43 3.344 -4.609 2.852 345 HA ILE 43 HA ILE 43 3.789 -7.389 2.612 346 HB ILE 43 HB ILE 43 5.798 -5.476 3.783 347 HG12 ILE 43 HG12 ILE 43 4.969 -4.322 1.848 348 HG13 ILE 43 HG13 ILE 43 6.509 -5.049 1.407 349 HG21 ILE 43 HG21 ILE 43 6.342 -7.680 1.837 350 HG22 ILE 43 HG22 ILE 43 6.114 -8.037 3.550 351 HG23 ILE 43 HG23 ILE 43 7.412 -6.957 3.039 352 HD11 ILE 43 HD11 ILE 43 3.858 -6.320 0.795 353 HD12 ILE 43 HD12 ILE 43 5.444 -6.753 0.157 354 HD13 ILE 43 HD13 ILE 43 4.694 -5.225 -0.306 355 H ASN 44 H ASN 44 3.358 -5.258 5.337 356 HA ASN 44 HA ASN 44 4.118 -7.349 7.222 357 HB2 ASN 44 HB2 ASN 44 3.452 -4.432 7.535 358 HB3 ASN 44 HB3 ASN 44 3.573 -5.508 8.924 359 HD21 ASN 44 HD21 ASN 44 5.272 -3.954 9.505 360 HD22 ASN 44 HD22 ASN 44 6.869 -4.224 8.905 361 H LYS 45 H LYS 45 1.370 -5.287 6.477 362 HA LYS 45 HA LYS 45 -0.865 -5.487 6.843 363 HB2 LYS 45 HB2 LYS 45 0.041 -8.299 6.423 364 HB3 LYS 45 HB3 LYS 45 -1.608 -8.024 6.967 365 HG2 LYS 45 HG2 LYS 45 -0.684 -6.417 4.666 366 HG3 LYS 45 HG3 LYS 45 -0.925 -8.144 4.395 367 HD2 LYS 45 HD2 LYS 45 -3.177 -7.537 5.764 368 HD3 LYS 45 HD3 LYS 45 -2.891 -6.013 4.921 369 HE2 LYS 45 HE2 LYS 45 -2.582 -7.477 2.827 370 HE3 LYS 45 HE3 LYS 45 -3.365 -8.743 3.773 371 HZ1 LYS 45 HZ1 LYS 45 -5.354 -7.720 3.662 372 HZ2 LYS 45 HZ2 LYS 45 -4.699 -7.014 2.272 373 HZ3 LYS 45 HZ3 LYS 45 -4.700 -6.160 3.732 374 H GLY 46 H GLY 46 -0.975 -4.551 8.868 375 HA2 GLY 46 HA2 GLY 46 -1.746 -4.544 11.049 376 HA3 GLY 46 HA3 GLY 46 -1.841 -6.296 10.979 377 H GLN 47 H GLN 47 0.445 -3.610 11.318 378 HA GLN 47 HA GLN 47 1.889 -5.135 13.328 379 HB2 GLN 47 HB2 GLN 47 2.837 -5.322 10.815 380 HB3 GLN 47 HB3 GLN 47 3.639 -3.839 11.316 381 HG2 GLN 47 HG2 GLN 47 5.201 -5.369 11.935 382 HG3 GLN 47 HG3 GLN 47 4.263 -5.270 13.424 383 HE21 GLN 47 HE21 GLN 47 4.138 -7.021 10.336 384 HE22 GLN 47 HE22 GLN 47 3.801 -8.566 11.031 385 H LEU 48 H LEU 48 3.105 -3.858 14.747 386 HA LEU 48 HA LEU 48 2.253 -1.091 14.854 387 HB2 LEU 48 HB2 LEU 48 2.640 -2.954 16.777 388 HB3 LEU 48 HB3 LEU 48 4.175 -2.109 16.852 389 HG LEU 48 HG LEU 48 1.894 -0.288 16.806 390 HD11 LEU 48 HD11 LEU 48 0.748 -0.887 18.663 391 HD12 LEU 48 HD12 LEU 48 2.139 -1.678 19.405 392 HD13 LEU 48 HD13 LEU 48 1.230 -2.500 18.137 393 HD21 LEU 48 HD21 LEU 48 3.229 0.957 18.135 394 HD22 LEU 48 HD22 LEU 48 4.478 -0.121 17.510 395 HD23 LEU 48 HD23 LEU 48 3.757 -0.429 19.090 396 H CYS 49 H CYS 49 3.345 0.137 13.417 397 HA CYS 49 HA CYS 49 6.282 -0.006 13.427 398 HB2 CYS 49 HB2 CYS 49 4.264 0.658 11.356 399 HB3 CYS 49 HB3 CYS 49 5.761 1.583 11.317 400 HG CYS 49 HG CYS 49 5.767 -0.724 9.872 401 H LEU 50 H LEU 50 7.338 2.180 12.954 402 HA LEU 50 HA LEU 50 6.149 4.167 14.766 403 HB2 LEU 50 HB2 LEU 50 9.022 3.761 13.932 404 HB3 LEU 50 HB3 LEU 50 8.459 5.051 14.977 405 HG LEU 50 HG LEU 50 9.426 3.355 16.354 406 HD11 LEU 50 HD11 LEU 50 7.798 3.292 17.915 407 HD12 LEU 50 HD12 LEU 50 6.595 2.655 16.794 408 HD13 LEU 50 HD13 LEU 50 6.984 4.375 16.786 409 HD21 LEU 50 HD21 LEU 50 8.779 1.590 14.439 410 HD22 LEU 50 HD22 LEU 50 7.504 1.245 15.607 411 HD23 LEU 50 HD23 LEU 50 9.196 1.124 16.088 412 H ARG 51 H ARG 51 6.522 6.451 14.241 413 HA ARG 51 HA ARG 51 5.696 7.060 11.619 414 HB2 ARG 51 HB2 ARG 51 6.811 8.852 13.772 415 HB3 ARG 51 HB3 ARG 51 6.058 9.426 12.290 416 HG2 ARG 51 HG2 ARG 51 3.943 8.588 12.926 417 HG3 ARG 51 HG3 ARG 51 4.635 7.649 14.250 418 HD2 ARG 51 HD2 ARG 51 5.347 10.405 14.557 419 HD3 ARG 51 HD3 ARG 51 3.604 10.272 14.327 420 HE ARG 51 HE ARG 51 4.117 8.374 16.177 421 HH11 ARG 51 HH11 ARG 51 4.935 11.760 15.962 422 HH12 ARG 51 HH12 ARG 51 4.934 11.997 17.677 423 HH21 ARG 51 HH21 ARG 51 4.114 8.685 18.433 424 HH22 ARG 51 HH22 ARG 51 4.469 10.252 19.080 425 H LYS 52 H LYS 52 8.620 8.256 13.176 426 HA LYS 52 HA LYS 52 9.924 9.037 10.861 427 HB2 LYS 52 HB2 LYS 52 11.323 8.044 13.339 428 HB3 LYS 52 HB3 LYS 52 11.931 9.201 12.163 429 HG2 LYS 52 HG2 LYS 52 9.623 10.399 12.989 430 HG3 LYS 52 HG3 LYS 52 10.176 9.600 14.462 431 HD2 LYS 52 HD2 LYS 52 11.420 11.458 14.721 432 HD3 LYS 52 HD3 LYS 52 12.495 10.677 13.559 433 HE2 LYS 52 HE2 LYS 52 12.101 12.242 12.023 434 HE3 LYS 52 HE3 LYS 52 10.356 12.098 12.230 435 HZ1 LYS 52 HZ1 LYS 52 10.650 14.218 12.935 436 HZ2 LYS 52 HZ2 LYS 52 12.229 13.957 13.482 437 HZ3 LYS 52 HZ3 LYS 52 10.917 13.436 14.413 438 H HIS 53 H HIS 53 9.508 5.891 12.136 439 HA HIS 53 HA HIS 53 11.680 4.739 10.631 440 HB2 HIS 53 HB2 HIS 53 10.670 3.910 12.865 441 HB3 HIS 53 HB3 HIS 53 9.419 3.205 11.853 442 HD1 HIS 53 HD1 HIS 53 13.074 3.255 10.933 443 HD2 HIS 53 HD2 HIS 53 10.160 0.568 12.182 444 HE1 HIS 53 HE1 HIS 53 14.115 0.977 10.699 445 HE2 HIS 53 HE2 HIS 53 12.365 -0.625 11.548 446 H LEU 54 H LEU 54 8.283 5.301 10.282 447 HA LEU 54 HA LEU 54 7.839 3.535 8.111 448 HB2 LEU 54 HB2 LEU 54 6.134 4.777 9.655 449 HB3 LEU 54 HB3 LEU 54 6.289 6.066 8.476 450 HG LEU 54 HG LEU 54 5.804 3.927 6.855 451 HD11 LEU 54 HD11 LEU 54 5.259 2.256 8.307 452 HD12 LEU 54 HD12 LEU 54 3.673 3.000 8.102 453 HD13 LEU 54 HD13 LEU 54 4.641 3.366 9.530 454 HD21 LEU 54 HD21 LEU 54 4.691 6.307 7.264 455 HD22 LEU 54 HD22 LEU 54 3.436 5.302 7.989 456 HD23 LEU 54 HD23 LEU 54 3.906 5.050 6.308 457 H LEU 55 H LEU 55 8.502 6.982 8.338 458 HA LEU 55 HA LEU 55 8.483 7.591 5.627 459 HB2 LEU 55 HB2 LEU 55 10.411 9.271 6.410 460 HB3 LEU 55 HB3 LEU 55 8.712 9.542 6.729 461 HG LEU 55 HG LEU 55 9.774 8.007 8.886 462 HD11 LEU 55 HD11 LEU 55 11.351 9.826 9.712 463 HD12 LEU 55 HD12 LEU 55 11.488 10.288 8.015 464 HD13 LEU 55 HD13 LEU 55 11.957 8.667 8.531 465 HD21 LEU 55 HD21 LEU 55 8.160 10.308 8.408 466 HD22 LEU 55 HD22 LEU 55 9.349 10.686 9.653 467 HD23 LEU 55 HD23 LEU 55 8.268 9.309 9.856 468 H GLU 56 H GLU 56 10.838 5.875 7.488 469 HA GLU 56 HA GLU 56 13.016 6.140 5.700 470 HB2 GLU 56 HB2 GLU 56 12.390 3.972 7.709 471 HB3 GLU 56 HB3 GLU 56 13.922 4.132 6.863 472 HG2 GLU 56 HG2 GLU 56 13.308 6.629 8.068 473 HG3 GLU 56 HG3 GLU 56 13.095 5.359 9.273 474 H GLU 57 H GLU 57 10.190 4.159 5.722 475 HA GLU 57 HA GLU 57 11.240 2.387 3.663 476 HB2 GLU 57 HB2 GLU 57 8.479 2.455 4.897 477 HB3 GLU 57 HB3 GLU 57 9.133 1.181 3.878 478 HG2 GLU 57 HG2 GLU 57 10.197 1.953 6.585 479 HG3 GLU 57 HG3 GLU 57 9.128 0.590 6.259 480 H ILE 58 H ILE 58 9.458 5.278 3.916 481 HA ILE 58 HA ILE 58 8.363 4.991 1.224 482 HB ILE 58 HB ILE 58 8.032 7.528 2.751 483 HG12 ILE 58 HG12 ILE 58 7.617 5.646 4.384 484 HG13 ILE 58 HG13 ILE 58 6.240 6.696 4.101 485 HG21 ILE 58 HG21 ILE 58 5.727 7.285 1.718 486 HG22 ILE 58 HG22 ILE 58 6.379 5.900 0.841 487 HG23 ILE 58 HG23 ILE 58 7.073 7.504 0.600 488 HD11 ILE 58 HD11 ILE 58 6.417 3.883 3.828 489 HD12 ILE 58 HD12 ILE 58 6.086 4.577 2.241 490 HD13 ILE 58 HD13 ILE 58 5.017 4.933 3.599 491 H LYS 59 H LYS 59 10.966 6.363 2.972 492 HA LYS 59 HA LYS 59 11.662 8.362 1.029 493 HB2 LYS 59 HB2 LYS 59 12.262 8.367 3.526 494 HB3 LYS 59 HB3 LYS 59 13.503 7.193 3.111 495 HG2 LYS 59 HG2 LYS 59 14.818 8.732 2.114 496 HG3 LYS 59 HG3 LYS 59 13.450 9.659 1.494 497 HD2 LYS 59 HD2 LYS 59 13.113 10.736 3.569 498 HD3 LYS 59 HD3 LYS 59 14.166 9.600 4.415 499 HE2 LYS 59 HE2 LYS 59 16.087 10.594 3.642 500 HE3 LYS 59 HE3 LYS 59 15.303 11.234 2.199 501 HZ1 LYS 59 HZ1 LYS 59 14.659 13.087 3.267 502 HZ2 LYS 59 HZ2 LYS 59 15.925 12.712 4.323 503 HZ3 LYS 59 HZ3 LYS 59 14.337 12.288 4.723 504 H ASN 60 H ASN 60 12.477 5.013 1.720 505 HA ASN 60 HA ASN 60 14.687 4.847 -0.054 506 HB2 ASN 60 HB2 ASN 60 13.176 3.048 1.645 507 HB3 ASN 60 HB3 ASN 60 13.535 2.294 0.095 508 HD21 ASN 60 HD21 ASN 60 14.612 2.593 3.127 509 HD22 ASN 60 HD22 ASN 60 16.308 2.379 2.881 510 H HIS 61 H HIS 61 11.239 4.582 -0.406 511 HA HIS 61 HA HIS 61 11.423 3.638 -3.133 512 HB2 HIS 61 HB2 HIS 61 9.684 2.770 -1.555 513 HB3 HIS 61 HB3 HIS 61 8.964 4.376 -1.541 514 HD1 HIS 61 HD1 HIS 61 6.798 3.885 -2.714 515 HD2 HIS 61 HD2 HIS 61 10.105 2.510 -4.821 516 HE1 HIS 61 HE1 HIS 61 5.911 3.143 -4.947 517 HE2 HIS 61 HE2 HIS 61 7.944 2.400 -6.238 518 H ALA 62 H ALA 62 9.914 6.376 -1.433 519 HA ALA 62 HA ALA 62 10.857 8.315 -3.270 520 HB1 ALA 62 HB1 ALA 62 8.165 7.154 -3.758 521 HB2 ALA 62 HB2 ALA 62 9.351 7.782 -4.901 522 HB3 ALA 62 HB3 ALA 62 8.364 8.897 -3.955 523 H LYS 63 H LYS 63 11.170 9.957 -1.921 524 HA LYS 63 HA LYS 63 9.647 10.249 0.492 525 HB2 LYS 63 HB2 LYS 63 12.174 10.977 -0.287 526 HB3 LYS 63 HB3 LYS 63 11.329 12.519 -0.314 527 HG2 LYS 63 HG2 LYS 63 10.957 10.798 2.069 528 HG3 LYS 63 HG3 LYS 63 12.521 11.587 1.859 529 HD2 LYS 63 HD2 LYS 63 11.594 13.382 2.811 530 HD3 LYS 63 HD3 LYS 63 10.699 13.592 1.305 531 HE2 LYS 63 HE2 LYS 63 9.083 13.638 3.021 532 HE3 LYS 63 HE3 LYS 63 8.955 12.039 2.287 533 HZ1 LYS 63 HZ1 LYS 63 10.176 12.767 4.882 534 HZ2 LYS 63 HZ2 LYS 63 10.497 11.287 4.129 535 HZ3 LYS 63 HZ3 LYS 63 8.915 11.679 4.583 536 H ALA 64 H ALA 64 7.703 10.365 -1.222 537 HA ALA 64 HA ALA 64 6.003 11.576 -2.137 538 HB1 ALA 64 HB1 ALA 64 5.955 12.185 0.319 539 HB2 ALA 64 HB2 ALA 64 5.151 13.307 -0.779 540 HB3 ALA 64 HB3 ALA 64 6.748 13.693 -0.137 541 H ILE 65 H ILE 65 6.580 12.105 -4.200 542 HA ILE 65 HA ILE 65 8.260 14.451 -4.634 543 HB ILE 65 HB ILE 65 8.647 12.319 -5.920 544 HG12 ILE 65 HG12 ILE 65 8.587 13.692 -8.218 545 HG13 ILE 65 HG13 ILE 65 8.302 15.025 -7.103 546 HG21 ILE 65 HG21 ILE 65 6.533 12.986 -7.848 547 HG22 ILE 65 HG22 ILE 65 5.972 12.305 -6.320 548 HG23 ILE 65 HG23 ILE 65 7.130 11.416 -7.310 549 HD11 ILE 65 HD11 ILE 65 10.569 15.080 -7.226 550 HD12 ILE 65 HD12 ILE 65 10.711 13.339 -7.470 551 HD13 ILE 65 HD13 ILE 65 10.372 13.979 -5.863 552 H VAL 66 H VAL 66 5.649 14.793 -3.553 553 HA VAL 66 HA VAL 66 4.728 16.929 -5.122 554 HB VAL 66 HB VAL 66 3.900 15.054 -6.529 555 HG11 VAL 66 HG11 VAL 66 1.989 14.477 -4.278 556 HG12 VAL 66 HG12 VAL 66 3.440 13.526 -4.596 557 HG13 VAL 66 HG13 VAL 66 2.158 13.610 -5.804 558 HG21 VAL 66 HG21 VAL 66 2.771 17.375 -6.169 559 HG22 VAL 66 HG22 VAL 66 1.506 16.426 -5.387 560 HG23 VAL 66 HG23 VAL 66 1.925 16.118 -7.072 561 H ALA 67 H ALA 67 5.408 16.455 -2.428 562 HA ALA 67 HA ALA 67 3.063 17.537 -1.142 563 HB1 ALA 67 HB1 ALA 67 4.229 15.023 0.029 564 HB2 ALA 67 HB2 ALA 67 2.806 15.030 -1.013 565 HB3 ALA 67 HB3 ALA 67 2.774 15.885 0.529 566 H ARG 68 H ARG 68 3.849 17.259 1.507 567 HA ARG 68 HA ARG 68 6.377 18.761 1.515 568 HB2 ARG 68 HB2 ARG 68 3.967 18.914 3.313 569 HB3 ARG 68 HB3 ARG 68 5.509 19.639 3.746 570 HG2 ARG 68 HG2 ARG 68 4.585 20.366 1.074 571 HG3 ARG 68 HG3 ARG 68 3.500 20.874 2.370 572 HD2 ARG 68 HD2 ARG 68 6.457 21.453 2.226 573 HD3 ARG 68 HD3 ARG 68 5.172 22.592 1.832 574 HE ARG 68 HE ARG 68 4.584 21.839 4.365 575 HH11 ARG 68 HH11 ARG 68 7.470 23.079 2.845 576 HH12 ARG 68 HH12 ARG 68 8.038 23.867 4.279 577 HH21 ARG 68 HH21 ARG 68 5.329 22.875 6.252 578 HH22 ARG 68 HH22 ARG 68 6.822 23.751 6.213 579 H ASN 69 H ASN 69 4.680 16.062 2.850 580 HA ASN 69 HA ASN 69 7.129 15.015 3.962 581 HB2 ASN 69 HB2 ASN 69 4.759 15.486 5.785 582 HB3 ASN 69 HB3 ASN 69 6.271 14.698 6.225 583 HD21 ASN 69 HD21 ASN 69 4.676 17.696 5.606 584 HD22 ASN 69 HD22 ASN 69 5.955 18.729 6.139 585 H VAL 70 H VAL 70 6.271 12.890 5.370 586 HA VAL 70 HA VAL 70 4.975 11.311 3.321 587 HB VAL 70 HB VAL 70 6.980 10.440 4.499 588 HG11 VAL 70 HG11 VAL 70 6.551 11.276 6.732 589 HG12 VAL 70 HG12 VAL 70 6.703 9.519 6.768 590 HG13 VAL 70 HG13 VAL 70 5.109 10.268 6.859 591 HG21 VAL 70 HG21 VAL 70 6.006 8.642 3.565 592 HG22 VAL 70 HG22 VAL 70 4.415 9.037 4.216 593 HG23 VAL 70 HG23 VAL 70 5.607 8.225 5.232 594 H ASP 71 H ASP 71 4.352 12.372 6.592 595 HA ASP 71 HA ASP 71 2.067 10.856 7.115 596 HB2 ASP 71 HB2 ASP 71 3.374 13.184 8.274 597 HB3 ASP 71 HB3 ASP 71 1.620 13.279 8.407 598 H VAL 72 H VAL 72 2.488 13.867 5.414 599 HA VAL 72 HA VAL 72 -0.319 14.349 5.070 600 HB VAL 72 HB VAL 72 1.926 15.531 3.434 601 HG11 VAL 72 HG11 VAL 72 0.248 17.476 3.420 602 HG12 VAL 72 HG12 VAL 72 -0.933 16.276 3.945 603 HG13 VAL 72 HG13 VAL 72 -0.097 16.075 2.406 604 HG21 VAL 72 HG21 VAL 72 1.049 16.092 6.216 605 HG22 VAL 72 HG22 VAL 72 1.472 17.464 5.191 606 HG23 VAL 72 HG23 VAL 72 2.655 16.191 5.492 607 H HIS 73 H HIS 73 2.105 12.506 3.485 608 HA HIS 73 HA HIS 73 0.788 12.299 0.956 609 HB2 HIS 73 HB2 HIS 73 3.316 11.681 1.907 610 HB3 HIS 73 HB3 HIS 73 2.593 10.102 1.620 611 HD1 HIS 73 HD1 HIS 73 1.831 13.075 -0.548 612 HD2 HIS 73 HD2 HIS 73 4.070 9.576 -0.666 613 HE1 HIS 73 HE1 HIS 73 2.593 12.844 -2.932 614 HE2 HIS 73 HE2 HIS 73 4.028 10.774 -2.958 615 H ILE 74 H ILE 74 0.646 10.659 3.997 616 HA ILE 74 HA ILE 74 -0.594 8.272 3.104 617 HB ILE 74 HB ILE 74 -0.828 9.556 5.827 618 HG12 ILE 74 HG12 ILE 74 1.504 9.270 5.368 619 HG13 ILE 74 HG13 ILE 74 1.019 7.958 6.435 620 HG21 ILE 74 HG21 ILE 74 -1.672 6.966 4.692 621 HG22 ILE 74 HG22 ILE 74 -2.370 7.915 6.004 622 HG23 ILE 74 HG23 ILE 74 -0.942 6.923 6.297 623 HD11 ILE 74 HD11 ILE 74 1.305 7.718 3.450 624 HD12 ILE 74 HD12 ILE 74 0.974 6.416 4.593 625 HD13 ILE 74 HD13 ILE 74 2.530 7.246 4.627 626 H ALA 75 H ALA 75 -1.758 11.425 4.012 627 HA ALA 75 HA ALA 75 -4.510 10.701 4.118 628 HB1 ALA 75 HB1 ALA 75 -3.113 12.838 5.015 629 HB2 ALA 75 HB2 ALA 75 -4.869 12.798 4.849 630 HB3 ALA 75 HB3 ALA 75 -3.878 13.516 3.578 631 H SER 76 H SER 76 -2.325 11.734 1.645 632 HA SER 76 HA SER 76 -4.361 12.402 -0.260 633 HB2 SER 76 HB2 SER 76 -1.398 12.268 -0.253 634 HB3 SER 76 HB3 SER 76 -2.186 12.028 -1.813 635 HG SER 76 HG SER 76 -2.814 14.201 -0.114 636 H LEU 77 H LEU 77 -2.570 9.569 0.629 637 HA LEU 77 HA LEU 77 -3.193 8.035 -1.665 638 HB2 LEU 77 HB2 LEU 77 -1.385 7.336 -0.238 639 HB3 LEU 77 HB3 LEU 77 -2.463 7.217 1.141 640 HG LEU 77 HG LEU 77 -3.605 5.322 0.136 641 HD11 LEU 77 HD11 LEU 77 -3.350 6.029 -2.212 642 HD12 LEU 77 HD12 LEU 77 -2.891 4.347 -1.951 643 HD13 LEU 77 HD13 LEU 77 -1.646 5.582 -2.139 644 HD21 LEU 77 HD21 LEU 77 -0.884 5.365 0.962 645 HD22 LEU 77 HD22 LEU 77 -1.069 4.153 -0.306 646 HD23 LEU 77 HD23 LEU 77 -2.076 4.078 1.141 647 H ARG 78 H ARG 78 -4.834 8.806 1.282 648 HA ARG 78 HA ARG 78 -6.809 6.812 1.253 649 HB2 ARG 78 HB2 ARG 78 -6.418 8.204 3.214 650 HB3 ARG 78 HB3 ARG 78 -6.917 9.636 2.326 651 HG2 ARG 78 HG2 ARG 78 -8.942 7.556 2.298 652 HG3 ARG 78 HG3 ARG 78 -8.512 8.067 3.931 653 HD2 ARG 78 HD2 ARG 78 -8.723 10.468 2.867 654 HD3 ARG 78 HD3 ARG 78 -9.749 9.621 1.711 655 HE ARG 78 HE ARG 78 -10.731 8.815 4.092 656 HH11 ARG 78 HH11 ARG 78 -10.036 11.964 2.758 657 HH12 ARG 78 HH12 ARG 78 -11.285 12.758 3.656 658 HH21 ARG 78 HH21 ARG 78 -12.376 9.858 5.273 659 HH22 ARG 78 HH22 ARG 78 -12.613 11.563 5.084 660 H LYS 79 H LYS 79 -6.316 9.574 -0.724 661 HA LYS 79 HA LYS 79 -9.053 9.847 -1.547 662 HB2 LYS 79 HB2 LYS 79 -6.492 11.156 -2.181 663 HB3 LYS 79 HB3 LYS 79 -7.659 11.120 -3.495 664 HG2 LYS 79 HG2 LYS 79 -9.235 11.945 -1.467 665 HG3 LYS 79 HG3 LYS 79 -7.686 12.633 -0.976 666 HD2 LYS 79 HD2 LYS 79 -8.620 14.310 -2.293 667 HD3 LYS 79 HD3 LYS 79 -7.541 13.474 -3.412 668 HE2 LYS 79 HE2 LYS 79 -9.471 13.673 -4.664 669 HE3 LYS 79 HE3 LYS 79 -9.647 12.060 -3.974 670 HZ1 LYS 79 HZ1 LYS 79 -11.352 12.707 -2.664 671 HZ2 LYS 79 HZ2 LYS 79 -11.560 13.871 -3.872 672 HZ3 LYS 79 HZ3 LYS 79 -10.758 14.275 -2.439 673 H LYS 80 H LYS 80 -6.140 8.477 -2.939 674 HA LYS 80 HA LYS 80 -7.535 7.498 -5.246 675 HB2 LYS 80 HB2 LYS 80 -4.718 7.511 -4.314 676 HB3 LYS 80 HB3 LYS 80 -5.186 6.268 -5.465 677 HG2 LYS 80 HG2 LYS 80 -5.051 7.705 -7.141 678 HG3 LYS 80 HG3 LYS 80 -6.186 8.797 -6.347 679 HD2 LYS 80 HD2 LYS 80 -4.196 9.569 -4.946 680 HD3 LYS 80 HD3 LYS 80 -3.189 8.725 -6.123 681 HE2 LYS 80 HE2 LYS 80 -5.249 10.655 -7.087 682 HE3 LYS 80 HE3 LYS 80 -3.745 11.275 -6.407 683 HZ1 LYS 80 HZ1 LYS 80 -2.789 9.451 -8.070 684 HZ2 LYS 80 HZ2 LYS 80 -3.071 11.053 -8.532 685 HZ3 LYS 80 HZ3 LYS 80 -4.206 9.855 -8.902 686 H LEU 81 H LEU 81 -5.865 6.072 -2.506 687 HA LEU 81 HA LEU 81 -6.877 3.428 -3.085 688 HB2 LEU 81 HB2 LEU 81 -4.716 3.411 -2.188 689 HB3 LEU 81 HB3 LEU 81 -5.110 4.606 -0.968 690 HG LEU 81 HG LEU 81 -6.406 2.949 0.272 691 HD11 LEU 81 HD11 LEU 81 -7.298 1.513 -1.338 692 HD12 LEU 81 HD12 LEU 81 -6.118 0.524 -0.478 693 HD13 LEU 81 HD13 LEU 81 -5.720 1.194 -2.060 694 HD21 LEU 81 HD21 LEU 81 -3.933 1.428 -0.192 695 HD22 LEU 81 HD22 LEU 81 -4.587 2.110 1.297 696 HD23 LEU 81 HD23 LEU 81 -3.713 3.141 0.166 697 H GLY 82 H GLY 82 -7.001 5.337 -0.072 698 HA2 GLY 82 HA2 GLY 82 -8.787 5.813 1.315 699 HA3 GLY 82 HA3 GLY 82 -9.861 5.154 0.092 700 H ALA 83 H ALA 83 -9.447 2.624 -0.148 701 HA ALA 83 HA ALA 83 -10.563 1.355 1.982 702 HB1 ALA 83 HB1 ALA 83 -9.719 -0.755 1.041 703 HB2 ALA 83 HB2 ALA 83 -8.656 0.175 -0.015 704 HB3 ALA 83 HB3 ALA 83 -10.406 0.312 -0.183 705 H TYR 84 H TYR 84 -7.198 0.831 1.190 706 HA TYR 84 HA TYR 84 -6.604 0.042 3.901 707 HB2 TYR 84 HB2 TYR 84 -4.986 0.152 1.365 708 HB3 TYR 84 HB3 TYR 84 -4.241 -0.200 2.922 709 HD1 TYR 84 HD1 TYR 84 -5.656 -2.065 4.306 710 HD2 TYR 84 HD2 TYR 84 -5.515 -1.673 0.072 711 HE1 TYR 84 HE1 TYR 84 -6.283 -4.431 4.073 712 HE2 TYR 84 HE2 TYR 84 -6.142 -4.038 -0.173 713 HH TYR 84 HH TYR 84 -7.500 -5.828 2.113 714 H GLY 85 H GLY 85 -6.631 2.967 2.202 715 HA2 GLY 85 HA2 GLY 85 -4.393 4.300 3.237 716 HA3 GLY 85 HA3 GLY 85 -5.888 5.073 2.729 717 H SER 86 H SER 86 -7.612 3.796 4.582 718 HA SER 86 HA SER 86 -7.079 5.431 6.894 719 HB2 SER 86 HB2 SER 86 -9.380 4.687 5.667 720 HB3 SER 86 HB3 SER 86 -9.331 3.514 6.983 721 HG SER 86 HG SER 86 -10.195 5.927 7.162 722 H ARG 87 H ARG 87 -6.494 2.197 5.964 723 HA ARG 87 HA ARG 87 -6.672 0.802 8.359 724 HB2 ARG 87 HB2 ARG 87 -5.694 0.306 5.790 725 HB3 ARG 87 HB3 ARG 87 -4.344 -0.016 6.873 726 HG2 ARG 87 HG2 ARG 87 -5.416 -2.051 6.744 727 HG3 ARG 87 HG3 ARG 87 -6.045 -1.377 8.239 728 HD2 ARG 87 HD2 ARG 87 -8.089 -0.756 7.188 729 HD3 ARG 87 HD3 ARG 87 -7.446 -1.118 5.587 730 HE ARG 87 HE ARG 87 -7.372 -3.433 7.196 731 HH11 ARG 87 HH11 ARG 87 -9.627 -1.373 5.508 732 HH12 ARG 87 HH12 ARG 87 -10.785 -2.635 5.256 733 HH21 ARG 87 HH21 ARG 87 -8.894 -5.095 6.865 734 HH22 ARG 87 HH22 ARG 87 -10.369 -4.749 6.026 735 H ILE 88 H ILE 88 -4.231 3.042 7.235 736 HA ILE 88 HA ILE 88 -2.256 2.402 9.182 737 HB ILE 88 HB ILE 88 -2.580 5.073 7.819 738 HG12 ILE 88 HG12 ILE 88 -1.303 2.535 6.780 739 HG13 ILE 88 HG13 ILE 88 -2.686 3.375 6.092 740 HG21 ILE 88 HG21 ILE 88 -0.351 5.454 8.301 741 HG22 ILE 88 HG22 ILE 88 0.007 3.737 8.496 742 HG23 ILE 88 HG23 ILE 88 -0.899 4.596 9.742 743 HD11 ILE 88 HD11 ILE 88 -0.180 4.919 6.333 744 HD12 ILE 88 HD12 ILE 88 -1.406 4.922 5.065 745 HD13 ILE 88 HD13 ILE 88 -0.218 3.621 5.140 746 H VAL 89 H VAL 89 -2.891 2.458 11.280 747 HA VAL 89 HA VAL 89 -4.431 4.749 12.242 748 HB VAL 89 HB VAL 89 -3.584 2.347 13.854 749 HG11 VAL 89 HG11 VAL 89 -6.115 3.737 14.393 750 HG12 VAL 89 HG12 VAL 89 -4.660 4.690 14.685 751 HG13 VAL 89 HG13 VAL 89 -4.882 3.146 15.507 752 HG21 VAL 89 HG21 VAL 89 -5.646 2.595 11.776 753 HG22 VAL 89 HG22 VAL 89 -6.200 1.897 13.298 754 HG23 VAL 89 HG23 VAL 89 -4.856 1.159 12.427 755 H THR 90 H THR 90 -3.607 6.334 13.453 756 HA THR 90 HA THR 90 -0.806 6.079 14.331 757 HB THR 90 HB THR 90 -2.130 8.741 14.036 758 HG1 THR 90 HG1 THR 90 -1.270 7.086 11.915 759 HG21 THR 90 HG21 THR 90 -0.067 9.569 14.047 760 HG22 THR 90 HG22 THR 90 0.531 8.340 12.932 761 HG23 THR 90 HG23 THR 90 0.422 7.988 14.656 762 H LEU 91 H LEU 91 -0.814 5.548 16.430 763 HA LEU 91 HA LEU 91 -2.803 6.766 18.201 764 HB2 LEU 91 HB2 LEU 91 -1.129 4.317 18.286 765 HB3 LEU 91 HB3 LEU 91 -1.515 5.072 19.820 766 HG LEU 91 HG LEU 91 -3.907 4.849 18.244 767 HD11 LEU 91 HD11 LEU 91 -2.251 2.872 17.471 768 HD12 LEU 91 HD12 LEU 91 -4.005 2.706 17.560 769 HD13 LEU 91 HD13 LEU 91 -2.996 2.123 18.884 770 HD21 LEU 91 HD21 LEU 91 -4.342 4.961 20.467 771 HD22 LEU 91 HD22 LEU 91 -2.891 4.061 20.911 772 HD23 LEU 91 HD23 LEU 91 -4.309 3.205 20.304 773 H ARG 92 H ARG 92 -2.307 8.228 19.722 774 HA ARG 92 HA ARG 92 0.368 9.331 19.736 775 HB2 ARG 92 HB2 ARG 92 -1.915 10.603 19.815 776 HB3 ARG 92 HB3 ARG 92 -1.837 10.266 21.539 777 HG2 ARG 92 HG2 ARG 92 -0.562 12.053 21.798 778 HG3 ARG 92 HG3 ARG 92 0.683 11.281 20.815 779 HD2 ARG 92 HD2 ARG 92 -0.973 12.165 18.882 780 HD3 ARG 92 HD3 ARG 92 -1.257 13.392 20.116 781 HE ARG 92 HE ARG 92 1.118 13.030 18.546 782 HH11 ARG 92 HH11 ARG 92 -0.149 14.273 21.551 783 HH12 ARG 92 HH12 ARG 92 1.144 15.403 21.773 784 HH21 ARG 92 HH21 ARG 92 2.820 14.516 18.837 785 HH22 ARG 92 HH22 ARG 92 2.829 15.541 20.233 786 H GLY 93 H GLY 93 1.241 7.279 20.659 787 HA2 GLY 93 HA2 GLY 93 2.111 7.560 23.243 788 HA3 GLY 93 HA3 GLY 93 0.638 6.612 23.380 789 H VAL 94 H VAL 94 1.077 5.307 20.782 790 HA VAL 94 HA VAL 94 3.252 3.492 21.591 791 HB VAL 94 HB VAL 94 1.034 2.439 21.717 792 HG11 VAL 94 HG11 VAL 94 -0.433 2.236 19.922 793 HG12 VAL 94 HG12 VAL 94 0.804 2.656 18.738 794 HG13 VAL 94 HG13 VAL 94 0.140 3.899 19.797 795 HG21 VAL 94 HG21 VAL 94 2.318 0.662 21.297 796 HG22 VAL 94 HG22 VAL 94 3.234 1.513 20.054 797 HG23 VAL 94 HG23 VAL 94 1.700 0.745 19.647 798 H GLY 95 H GLY 95 1.554 4.882 18.795 799 HA2 GLY 95 HA2 GLY 95 3.242 5.884 17.175 800 HA3 GLY 95 HA3 GLY 95 3.928 4.267 17.155 801 H TYR 96 H TYR 96 3.594 3.869 15.003 802 HA TYR 96 HA TYR 96 0.965 4.209 13.842 803 HB2 TYR 96 HB2 TYR 96 3.685 3.711 12.869 804 HB3 TYR 96 HB3 TYR 96 2.455 2.807 11.994 805 HD1 TYR 96 HD1 TYR 96 0.235 4.448 11.612 806 HD2 TYR 96 HD2 TYR 96 4.312 5.647 11.811 807 HE1 TYR 96 HE1 TYR 96 -0.296 6.455 10.293 808 HE2 TYR 96 HE2 TYR 96 3.792 7.657 10.494 809 HH TYR 96 HH TYR 96 0.978 8.944 10.134 810 H LEU 97 H LEU 97 -0.571 2.711 13.783 811 HA LEU 97 HA LEU 97 0.189 -0.116 14.061 812 HB2 LEU 97 HB2 LEU 97 -0.728 0.971 16.193 813 HB3 LEU 97 HB3 LEU 97 -2.267 1.041 15.357 814 HG LEU 97 HG LEU 97 -1.968 -0.910 16.916 815 HD11 LEU 97 HD11 LEU 97 -2.428 -1.719 14.056 816 HD12 LEU 97 HD12 LEU 97 -3.598 -0.811 15.012 817 HD13 LEU 97 HD13 LEU 97 -3.122 -2.434 15.511 818 HD21 LEU 97 HD21 LEU 97 0.471 -1.181 15.735 819 HD22 LEU 97 HD22 LEU 97 -0.468 -2.422 14.906 820 HD23 LEU 97 HD23 LEU 97 -0.346 -2.436 16.665 821 H PHE 98 H PHE 98 -0.040 0.057 11.693 822 HA PHE 98 HA PHE 98 -2.583 0.577 10.533 823 HB2 PHE 98 HB2 PHE 98 -1.573 -0.447 8.476 824 HB3 PHE 98 HB3 PHE 98 -0.653 0.887 9.158 825 HD1 PHE 98 HD1 PHE 98 1.469 0.460 10.323 826 HD2 PHE 98 HD2 PHE 98 -0.687 -2.658 8.390 827 HE1 PHE 98 HE1 PHE 98 3.479 -0.956 10.374 828 HE2 PHE 98 HE2 PHE 98 1.319 -4.082 8.441 829 HZ PHE 98 HZ PHE 98 3.405 -3.231 9.434 830 H SER 99 H SER 99 -3.961 -0.745 11.829 831 HA SER 99 HA SER 99 -3.719 -3.566 11.940 832 HB2 SER 99 HB2 SER 99 -6.464 -2.794 12.191 833 HB3 SER 99 HB3 SER 99 -5.344 -3.295 13.457 834 HG SER 99 HG SER 99 -6.141 -0.754 12.686 835 H ASP 100 H ASP 100 -3.414 -4.399 9.881 836 HA ASP 100 HA ASP 100 -5.477 -3.917 7.875 837 HB2 ASP 100 HB2 ASP 100 -2.669 -4.612 7.812 838 HB3 ASP 100 HB3 ASP 100 -3.616 -5.719 6.824 839 H ASP 101 H ASP 101 -3.692 -6.877 8.478 840 HA ASP 101 HA ASP 101 -5.981 -8.319 9.394 841 HB2 ASP 101 HB2 ASP 101 -6.366 -8.166 6.919 842 HB3 ASP 101 HB3 ASP 101 -4.877 -9.077 6.685 843 H GLY 102 H GLY 102 -3.098 -9.222 7.500 844 HA2 GLY 102 HA2 GLY 102 -1.119 -9.906 8.912 845 HA3 GLY 102 HA3 GLY 102 -2.274 -10.902 9.785 846 H ASP 103 H ASP 103 -3.673 -11.503 7.185 847 HA ASP 103 HA ASP 103 -2.379 -13.936 6.626 848 HB2 ASP 103 HB2 ASP 103 -4.745 -12.501 5.679 849 HB3 ASP 103 HB3 ASP 103 -3.980 -13.470 4.424 850 H LYS 104 H LYS 104 -2.154 -14.393 4.034 851 HA LYS 104 HA LYS 104 -0.336 -12.377 2.968 852 HB2 LYS 104 HB2 LYS 104 0.576 -14.691 4.038 853 HB3 LYS 104 HB3 LYS 104 0.332 -15.187 2.369 854 HG2 LYS 104 HG2 LYS 104 1.636 -12.848 2.006 855 HG3 LYS 104 HG3 LYS 104 2.335 -13.383 3.535 856 HD2 LYS 104 HD2 LYS 104 3.744 -14.343 1.959 857 HD3 LYS 104 HD3 LYS 104 2.626 -15.656 2.334 858 HE2 LYS 104 HE2 LYS 104 1.307 -15.087 0.347 859 HE3 LYS 104 HE3 LYS 104 2.439 -13.788 -0.029 860 HZ1 LYS 104 HZ1 LYS 104 3.116 -15.565 -1.348 861 HZ2 LYS 104 HZ2 LYS 104 2.898 -16.706 -0.119 862 HZ3 LYS 104 HZ3 LYS 104 4.189 -15.615 -0.041 863 H LYS 105 H LYS 105 0.315 -13.316 0.586 864 HA LYS 105 HA LYS 105 -2.005 -14.360 -0.774 865 HB2 LYS 105 HB2 LYS 105 -1.154 -11.531 -0.923 866 HB3 LYS 105 HB3 LYS 105 -1.547 -12.301 -2.454 867 HG2 LYS 105 HG2 LYS 105 -3.369 -12.181 -0.059 868 HG3 LYS 105 HG3 LYS 105 -3.457 -11.119 -1.466 869 HD2 LYS 105 HD2 LYS 105 -3.756 -13.165 -2.880 870 HD3 LYS 105 HD3 LYS 105 -3.886 -14.101 -1.390 871 HE2 LYS 105 HE2 LYS 105 -5.675 -12.132 -0.904 872 HE3 LYS 105 HE3 LYS 105 -5.813 -12.270 -2.656 873 HZ1 LYS 105 HZ1 LYS 105 -6.114 -14.710 -2.300 874 HZ2 LYS 105 HZ2 LYS 105 -7.374 -13.750 -1.707 875 HZ3 LYS 105 HZ3 LYS 105 -6.236 -14.402 -0.640 876 H PHE 106 H PHE 106 -1.015 -16.038 -1.727 877 HA PHE 106 HA PHE 106 1.648 -16.049 -2.623 878 HB2 PHE 106 HB2 PHE 106 0.787 -18.125 -3.911 879 HB3 PHE 106 HB3 PHE 106 0.794 -18.165 -2.157 880 HD1 PHE 106 HD1 PHE 106 -1.350 -17.686 -5.128 881 HD2 PHE 106 HD2 PHE 106 -1.201 -18.459 -0.946 882 HE1 PHE 106 HE1 PHE 106 -3.750 -18.230 -5.147 883 HE2 PHE 106 HE2 PHE 106 -3.600 -19.006 -0.957 884 HZ PHE 106 HZ PHE 106 -4.878 -18.891 -3.060 885 H SER 107 H SER 107 2.513 -15.192 -4.388 886 HA SER 107 HA SER 107 0.924 -13.898 -6.358 887 HB2 SER 107 HB2 SER 107 3.451 -13.524 -5.485 888 HB3 SER 107 HB3 SER 107 3.774 -14.431 -6.963 889 HG SER 107 HG SER 107 2.182 -12.087 -6.791 890 H GLN 108 H GLN 108 -0.342 -15.365 -7.447 891 HA GLN 108 HA GLN 108 0.634 -17.808 -8.504 892 HB2 GLN 108 HB2 GLN 108 -1.517 -17.862 -9.741 893 HB3 GLN 108 HB3 GLN 108 -1.714 -17.568 -8.019 894 HG2 GLN 108 HG2 GLN 108 -2.453 -15.440 -8.320 895 HG3 GLN 108 HG3 GLN 108 -1.531 -15.211 -9.805 896 HE21 GLN 108 HE21 GLN 108 -4.141 -17.292 -8.590 897 HE22 GLN 108 HE22 GLN 108 -5.131 -17.163 -10.000 898 H GLN 109 H GLN 109 0.602 -14.543 -9.655 899 HA GLN 109 HA GLN 109 0.697 -14.863 -12.400 900 HB2 GLN 109 HB2 GLN 109 1.316 -12.801 -10.510 901 HB3 GLN 109 HB3 GLN 109 2.576 -12.846 -11.735 902 HG2 GLN 109 HG2 GLN 109 -0.331 -12.799 -12.461 903 HG3 GLN 109 HG3 GLN 109 0.577 -11.323 -12.139 904 HE21 GLN 109 HE21 GLN 109 0.222 -14.070 -14.257 905 HE22 GLN 109 HE22 GLN 109 1.120 -13.416 -15.581 906 H ASP 110 H ASP 110 1.836 -16.656 -13.074 907 HA ASP 110 HA ASP 110 4.762 -16.448 -12.824 908 HB2 ASP 110 HB2 ASP 110 3.404 -18.381 -11.566 909 HB3 ASP 110 HB3 ASP 110 3.562 -19.149 -13.142 910 H THR 111 H THR 111 2.276 -16.211 -14.926 911 HA THR 111 HA THR 111 3.973 -16.595 -17.193 912 HB THR 111 HB THR 111 1.443 -18.202 -17.265 913 HG1 THR 111 HG1 THR 111 2.415 -19.215 -15.621 914 HG21 THR 111 HG21 THR 111 2.619 -19.519 -18.915 915 HG22 THR 111 HG22 THR 111 4.072 -18.547 -18.685 916 HG23 THR 111 HG23 THR 111 2.622 -17.816 -19.372 917 H LYS 112 H LYS 112 2.975 -15.855 -19.198 918 HA LYS 112 HA LYS 112 1.463 -13.506 -18.816 919 HB2 LYS 112 HB2 LYS 112 2.563 -14.994 -21.125 920 HB3 LYS 112 HB3 LYS 112 1.204 -13.934 -21.471 921 HG2 LYS 112 HG2 LYS 112 2.918 -12.426 -19.866 922 HG3 LYS 112 HG3 LYS 112 3.965 -13.283 -20.998 923 HD2 LYS 112 HD2 LYS 112 1.571 -11.602 -21.740 924 HD3 LYS 112 HD3 LYS 112 3.258 -11.107 -21.881 925 HE2 LYS 112 HE2 LYS 112 3.671 -12.545 -23.640 926 HE3 LYS 112 HE3 LYS 112 2.341 -13.619 -23.210 927 HZ1 LYS 112 HZ1 LYS 112 2.097 -10.915 -24.412 928 HZ2 LYS 112 HZ2 LYS 112 0.793 -11.876 -23.927 929 HZ3 LYS 112 HZ3 LYS 112 1.798 -12.389 -25.187 930 H LEU 113 H LEU 113 -0.365 -14.377 -17.624 931 HA LEU 113 HA LEU 113 -2.195 -16.213 -18.705 932 HB2 LEU 113 HB2 LEU 113 -1.928 -15.027 -16.309 933 HB3 LEU 113 HB3 LEU 113 -3.234 -14.055 -16.961 934 HG LEU 113 HG LEU 113 -3.442 -17.039 -17.032 935 HD11 LEU 113 HD11 LEU 113 -4.615 -15.665 -14.704 936 HD12 LEU 113 HD12 LEU 113 -2.865 -15.880 -14.677 937 HD13 LEU 113 HD13 LEU 113 -3.923 -17.281 -14.843 938 HD21 LEU 113 HD21 LEU 113 -5.884 -16.174 -16.503 939 HD22 LEU 113 HD22 LEU 113 -5.240 -16.184 -18.144 940 HD23 LEU 113 HD23 LEU 113 -5.249 -14.689 -17.210 941 H SER 114 H SER 114 -3.892 -16.013 -20.066 942 HA SER 114 HA SER 114 -5.033 -13.478 -20.731 943 HB2 SER 114 HB2 SER 114 -2.859 -13.755 -22.131 944 HB3 SER 114 HB3 SER 114 -3.799 -14.926 -23.056 945 HG SER 114 HG SER 114 -5.153 -13.347 -23.707 946 H LEU 115 H LEU 115 -6.834 -13.691 -22.286 947 HA LEU 115 HA LEU 115 -8.502 -15.834 -21.650 948 HB2 LEU 115 HB2 LEU 115 -8.553 -13.673 -23.722 949 HB3 LEU 115 HB3 LEU 115 -9.769 -14.927 -23.731 950 HG LEU 115 HG LEU 115 -10.724 -13.101 -22.578 951 HD11 LEU 115 HD11 LEU 115 -9.710 -14.878 -20.376 952 HD12 LEU 115 HD12 LEU 115 -10.951 -15.379 -21.524 953 HD13 LEU 115 HD13 LEU 115 -11.241 -14.006 -20.456 954 HD21 LEU 115 HD21 LEU 115 -9.668 -11.888 -20.812 955 HD22 LEU 115 HD22 LEU 115 -8.548 -11.947 -22.173 956 HD23 LEU 115 HD23 LEU 115 -8.306 -13.008 -20.785 957 H GLU 116 H GLU 116 -9.596 -17.202 -23.390 958 HA GLU 116 HA GLU 116 -9.473 -18.934 -24.856 959 HB2 GLU 116 HB2 GLU 116 -8.283 -16.728 -26.137 960 HB3 GLU 116 HB3 GLU 116 -7.234 -18.098 -26.470 961 HG2 GLU 116 HG2 GLU 116 -10.142 -18.511 -26.817 962 HG3 GLU 116 HG3 GLU 116 -9.324 -17.476 -27.987 Start of MODEL 4 1 H1 HIS 1 H1 HIS 1 13.200 -5.978 -1.765 2 H2 HIS 1 H2 HIS 1 14.420 -6.407 -2.894 3 H3 HIS 1 H3 HIS 1 13.043 -7.411 -2.693 4 HA HIS 1 HA HIS 1 13.241 -4.764 -3.932 5 HB2 HIS 1 HB2 HIS 1 13.542 -7.136 -5.048 6 HB3 HIS 1 HB3 HIS 1 11.783 -7.162 -4.978 7 HD1 HIS 1 HD1 HIS 1 13.951 -6.773 -7.483 8 HD2 HIS 1 HD2 HIS 1 11.189 -4.089 -5.924 9 HE1 HIS 1 HE1 HIS 1 13.503 -5.123 -9.327 10 HE2 HIS 1 HE2 HIS 1 11.760 -3.563 -8.391 11 H SER 2 H SER 2 10.784 -7.249 -3.196 12 HA SER 2 HA SER 2 8.616 -7.096 -2.531 13 HB2 SER 2 HB2 SER 2 9.957 -5.550 -0.786 14 HB3 SER 2 HB3 SER 2 8.906 -4.326 -1.499 15 HG SER 2 HG SER 2 7.853 -5.257 0.243 16 H VAL 3 H VAL 3 7.337 -7.005 -4.276 17 HA VAL 3 HA VAL 3 6.565 -4.357 -5.251 18 HB VAL 3 HB VAL 3 8.263 -5.171 -6.830 19 HG11 VAL 3 HG11 VAL 3 6.565 -7.314 -7.905 20 HG12 VAL 3 HG12 VAL 3 7.305 -7.654 -6.341 21 HG13 VAL 3 HG13 VAL 3 8.317 -7.234 -7.722 22 HG21 VAL 3 HG21 VAL 3 5.417 -4.953 -7.744 23 HG22 VAL 3 HG22 VAL 3 6.730 -5.181 -8.898 24 HG23 VAL 3 HG23 VAL 3 6.713 -3.763 -7.850 25 HA PRO 4 HA PRO 4 2.643 -6.470 -4.875 26 HB2 PRO 4 HB2 PRO 4 1.045 -4.352 -5.223 27 HB3 PRO 4 HB3 PRO 4 2.014 -4.545 -3.758 28 HG2 PRO 4 HG2 PRO 4 2.473 -2.784 -6.117 29 HG3 PRO 4 HG3 PRO 4 2.799 -2.477 -4.404 30 HD2 PRO 4 HD2 PRO 4 4.681 -3.271 -6.307 31 HD3 PRO 4 HD3 PRO 4 4.885 -3.362 -4.548 32 H GLU 5 H GLU 5 0.844 -7.042 -6.202 33 HA GLU 5 HA GLU 5 1.426 -6.832 -9.037 34 HB2 GLU 5 HB2 GLU 5 -0.170 -8.668 -7.320 35 HB3 GLU 5 HB3 GLU 5 -0.571 -8.540 -9.022 36 HG2 GLU 5 HG2 GLU 5 2.234 -8.842 -8.824 37 HG3 GLU 5 HG3 GLU 5 1.484 -10.050 -7.783 38 H SER 6 H SER 6 -1.353 -6.507 -6.898 39 HA SER 6 HA SER 6 -2.310 -4.159 -8.163 40 HB2 SER 6 HB2 SER 6 -2.892 -6.219 -9.737 41 HB3 SER 6 HB3 SER 6 -4.230 -6.404 -8.603 42 HG SER 6 HG SER 6 -4.289 -4.878 -10.614 43 H ILE 7 H ILE 7 -4.597 -3.627 -7.370 44 HA ILE 7 HA ILE 7 -5.056 -4.811 -4.713 45 HB ILE 7 HB ILE 7 -5.663 -1.923 -5.086 46 HG12 ILE 7 HG12 ILE 7 -2.885 -2.865 -4.350 47 HG13 ILE 7 HG13 ILE 7 -3.313 -2.277 -5.953 48 HG21 ILE 7 HG21 ILE 7 -6.283 -2.430 -2.989 49 HG22 ILE 7 HG22 ILE 7 -4.570 -2.222 -2.631 50 HG23 ILE 7 HG23 ILE 7 -5.224 -3.837 -2.904 51 HD11 ILE 7 HD11 ILE 7 -4.007 -0.515 -3.698 52 HD12 ILE 7 HD12 ILE 7 -3.366 -0.127 -5.295 53 HD13 ILE 7 HD13 ILE 7 -2.289 -0.728 -4.034 54 H ARG 8 H ARG 8 -6.850 -5.981 -5.225 55 HA ARG 8 HA ARG 8 -9.080 -4.579 -6.524 56 HB2 ARG 8 HB2 ARG 8 -8.340 -7.474 -6.263 57 HB3 ARG 8 HB3 ARG 8 -10.008 -7.018 -6.582 58 HG2 ARG 8 HG2 ARG 8 -9.463 -6.055 -8.653 59 HG3 ARG 8 HG3 ARG 8 -7.738 -6.042 -8.283 60 HD2 ARG 8 HD2 ARG 8 -8.089 -7.824 -9.803 61 HD3 ARG 8 HD3 ARG 8 -7.846 -8.556 -8.217 62 HE ARG 8 HE ARG 8 -10.532 -8.336 -8.378 63 HH11 ARG 8 HH11 ARG 8 -8.128 -9.688 -10.518 64 HH12 ARG 8 HH12 ARG 8 -9.201 -10.877 -11.176 65 HH21 ARG 8 HH21 ARG 8 -11.946 -9.899 -9.244 66 HH22 ARG 8 HH22 ARG 8 -11.368 -10.997 -10.454 67 H PHE 9 H PHE 9 -10.098 -3.497 -4.910 68 HA PHE 9 HA PHE 9 -11.126 -5.124 -2.678 69 HB2 PHE 9 HB2 PHE 9 -11.142 -2.952 -1.368 70 HB3 PHE 9 HB3 PHE 9 -9.553 -3.629 -1.710 71 HD1 PHE 9 HD1 PHE 9 -8.178 -2.641 -3.549 72 HD2 PHE 9 HD2 PHE 9 -11.751 -0.814 -2.133 73 HE1 PHE 9 HE1 PHE 9 -7.490 -0.511 -4.571 74 HE2 PHE 9 HE2 PHE 9 -11.070 1.319 -3.154 75 HZ PHE 9 HZ PHE 9 -8.936 1.472 -4.374 76 H GLY 10 H GLY 10 -13.057 -5.576 -3.786 77 HA2 GLY 10 HA2 GLY 10 -15.313 -5.187 -4.098 78 HA3 GLY 10 HA3 GLY 10 -15.073 -3.557 -3.490 79 HA PRO 11 HA PRO 11 -15.899 -2.934 -7.931 80 HB2 PRO 11 HB2 PRO 11 -17.298 -0.663 -7.693 81 HB3 PRO 11 HB3 PRO 11 -18.018 -2.234 -7.317 82 HG2 PRO 11 HG2 PRO 11 -16.924 -0.158 -5.461 83 HG3 PRO 11 HG3 PRO 11 -18.396 -1.132 -5.307 84 HD2 PRO 11 HD2 PRO 11 -16.024 -1.703 -4.037 85 HD3 PRO 11 HD3 PRO 11 -17.265 -2.911 -4.420 86 H ASN 12 H ASN 12 -13.355 -2.407 -6.975 87 HA ASN 12 HA ASN 12 -12.653 -0.096 -8.516 88 HB2 ASN 12 HB2 ASN 12 -12.776 0.062 -5.573 89 HB3 ASN 12 HB3 ASN 12 -11.274 0.643 -6.285 90 HD21 ASN 12 HD21 ASN 12 -14.028 1.717 -5.132 91 HD22 ASN 12 HD22 ASN 12 -14.324 3.073 -6.160 92 H VAL 13 H VAL 13 -10.819 -0.558 -9.527 93 HA VAL 13 HA VAL 13 -9.017 -2.552 -8.317 94 HB VAL 13 HB VAL 13 -9.277 -1.894 -11.253 95 HG11 VAL 13 HG11 VAL 13 -8.098 -4.147 -11.424 96 HG12 VAL 13 HG12 VAL 13 -7.733 -3.956 -9.710 97 HG13 VAL 13 HG13 VAL 13 -7.135 -2.776 -10.875 98 HG21 VAL 13 HG21 VAL 13 -10.177 -4.524 -10.311 99 HG22 VAL 13 HG22 VAL 13 -10.884 -3.444 -11.513 100 HG23 VAL 13 HG23 VAL 13 -11.185 -3.172 -9.797 101 H PHE 14 H PHE 14 -7.313 -1.574 -7.430 102 HA PHE 14 HA PHE 14 -6.253 0.867 -8.645 103 HB2 PHE 14 HB2 PHE 14 -6.752 0.542 -6.110 104 HB3 PHE 14 HB3 PHE 14 -5.232 -0.345 -6.095 105 HD1 PHE 14 HD1 PHE 14 -3.318 1.009 -7.505 106 HD2 PHE 14 HD2 PHE 14 -6.605 2.707 -5.403 107 HE1 PHE 14 HE1 PHE 14 -2.081 3.124 -7.288 108 HE2 PHE 14 HE2 PHE 14 -5.375 4.825 -5.182 109 HZ PHE 14 HZ PHE 14 -3.109 5.036 -6.124 110 H TYR 15 H TYR 15 -4.624 0.730 -10.021 111 HA TYR 15 HA TYR 15 -2.980 -1.679 -10.087 112 HB2 TYR 15 HB2 TYR 15 -3.269 0.660 -11.975 113 HB3 TYR 15 HB3 TYR 15 -2.073 -0.611 -12.202 114 HD1 TYR 15 HD1 TYR 15 -2.928 -3.015 -12.422 115 HD2 TYR 15 HD2 TYR 15 -5.454 0.391 -12.765 116 HE1 TYR 15 HE1 TYR 15 -4.601 -4.382 -13.597 117 HE2 TYR 15 HE2 TYR 15 -7.135 -0.966 -13.940 118 HH TYR 15 HH TYR 15 -6.977 -3.225 -15.409 119 H VAL 16 H VAL 16 -1.152 -1.745 -8.986 120 HA VAL 16 HA VAL 16 0.020 0.496 -7.739 121 HB VAL 16 HB VAL 16 1.983 -1.092 -7.363 122 HG11 VAL 16 HG11 VAL 16 0.660 -0.989 -5.517 123 HG12 VAL 16 HG12 VAL 16 0.349 -2.664 -5.973 124 HG13 VAL 16 HG13 VAL 16 -0.805 -1.403 -6.406 125 HG21 VAL 16 HG21 VAL 16 2.006 -3.183 -8.205 126 HG22 VAL 16 HG22 VAL 16 0.960 -2.483 -9.441 127 HG23 VAL 16 HG23 VAL 16 0.255 -3.364 -8.086 128 H LEU 17 H LEU 17 0.250 -0.601 -10.946 129 HA LEU 17 HA LEU 17 2.779 0.857 -11.331 130 HB2 LEU 17 HB2 LEU 17 1.552 -1.108 -13.253 131 HB3 LEU 17 HB3 LEU 17 3.178 -0.453 -13.280 132 HG LEU 17 HG LEU 17 2.403 -2.001 -10.871 133 HD11 LEU 17 HD11 LEU 17 2.714 -4.125 -11.893 134 HD12 LEU 17 HD12 LEU 17 3.121 -3.389 -13.443 135 HD13 LEU 17 HD13 LEU 17 1.476 -3.275 -12.818 136 HD21 LEU 17 HD21 LEU 17 4.681 -0.861 -11.609 137 HD22 LEU 17 HD22 LEU 17 4.896 -2.408 -12.428 138 HD23 LEU 17 HD23 LEU 17 4.643 -2.362 -10.683 139 H LYS 18 H LYS 18 -0.580 0.862 -12.025 140 HA LYS 18 HA LYS 18 -0.265 2.675 -14.290 141 HB2 LYS 18 HB2 LYS 18 -2.080 0.700 -13.819 142 HB3 LYS 18 HB3 LYS 18 -2.980 2.116 -13.293 143 HG2 LYS 18 HG2 LYS 18 -3.093 3.000 -15.390 144 HG3 LYS 18 HG3 LYS 18 -1.585 2.244 -15.909 145 HD2 LYS 18 HD2 LYS 18 -2.702 0.071 -15.995 146 HD3 LYS 18 HD3 LYS 18 -4.207 0.818 -15.457 147 HE2 LYS 18 HE2 LYS 18 -3.709 2.377 -17.559 148 HE3 LYS 18 HE3 LYS 18 -2.861 0.927 -18.097 149 HZ1 LYS 18 HZ1 LYS 18 -5.687 0.959 -17.190 150 HZ2 LYS 18 HZ2 LYS 18 -4.859 -0.338 -17.892 151 HZ3 LYS 18 HZ3 LYS 18 -5.210 1.038 -18.812 152 H LEU 19 H LEU 19 -1.284 2.676 -10.936 153 HA LEU 19 HA LEU 19 -1.658 4.373 -9.468 154 HB2 LEU 19 HB2 LEU 19 0.043 5.524 -11.486 155 HB3 LEU 19 HB3 LEU 19 -1.093 6.727 -10.907 156 HG LEU 19 HG LEU 19 -0.176 5.566 -8.572 157 HD11 LEU 19 HD11 LEU 19 1.574 4.564 -10.280 158 HD12 LEU 19 HD12 LEU 19 2.052 5.110 -8.673 159 HD13 LEU 19 HD13 LEU 19 2.317 6.149 -10.073 160 HD21 LEU 19 HD21 LEU 19 0.389 7.688 -8.071 161 HD22 LEU 19 HD22 LEU 19 -0.424 8.053 -9.592 162 HD23 LEU 19 HD23 LEU 19 1.332 7.900 -9.546 163 H THR 20 H THR 20 -3.657 3.491 -11.474 164 HA THR 20 HA THR 20 -5.468 5.781 -11.192 165 HB THR 20 HB THR 20 -5.523 4.077 -13.667 166 HG1 THR 20 HG1 THR 20 -4.021 6.446 -13.256 167 HG21 THR 20 HG21 THR 20 -7.294 5.911 -12.822 168 HG22 THR 20 HG22 THR 20 -6.975 5.555 -14.520 169 HG23 THR 20 HG23 THR 20 -6.195 6.935 -13.746 170 H VAL 21 H VAL 21 -6.987 5.089 -9.839 171 HA VAL 21 HA VAL 21 -7.653 2.347 -9.483 172 HB VAL 21 HB VAL 21 -9.384 4.647 -8.599 173 HG11 VAL 21 HG11 VAL 21 -10.326 3.194 -7.138 174 HG12 VAL 21 HG12 VAL 21 -8.834 2.283 -6.910 175 HG13 VAL 21 HG13 VAL 21 -9.815 2.021 -8.351 176 HG21 VAL 21 HG21 VAL 21 -7.804 4.158 -6.445 177 HG22 VAL 21 HG22 VAL 21 -7.555 5.478 -7.587 178 HG23 VAL 21 HG23 VAL 21 -6.649 3.976 -7.765 179 H GLU 22 H GLU 22 -8.812 1.162 -10.839 180 HA GLU 22 HA GLU 22 -10.396 2.277 -12.916 181 HB2 GLU 22 HB2 GLU 22 -9.213 -0.152 -12.484 182 HB3 GLU 22 HB3 GLU 22 -10.910 -0.535 -12.224 183 HG2 GLU 22 HG2 GLU 22 -10.540 1.082 -14.589 184 HG3 GLU 22 HG3 GLU 22 -9.577 -0.393 -14.651 185 H THR 23 H THR 23 -12.489 2.791 -12.970 186 HA THR 23 HA THR 23 -14.215 1.860 -10.776 187 HB THR 23 HB THR 23 -15.226 3.992 -10.567 188 HG1 THR 23 HG1 THR 23 -14.701 5.700 -11.996 189 HG21 THR 23 HG21 THR 23 -12.261 4.343 -10.876 190 HG22 THR 23 HG22 THR 23 -13.174 4.061 -9.394 191 HG23 THR 23 HG23 THR 23 -13.333 5.595 -10.250 192 HA PRO 24 HA PRO 24 -17.051 0.552 -13.881 193 HB2 PRO 24 HB2 PRO 24 -19.441 0.963 -12.663 194 HB3 PRO 24 HB3 PRO 24 -18.335 -0.332 -12.197 195 HG2 PRO 24 HG2 PRO 24 -18.755 2.343 -10.933 196 HG3 PRO 24 HG3 PRO 24 -18.573 0.756 -10.162 197 HD2 PRO 24 HD2 PRO 24 -16.547 2.525 -10.336 198 HD3 PRO 24 HD3 PRO 24 -16.277 0.775 -10.379 199 H GLU 25 H GLU 25 -16.962 3.798 -12.840 200 HA GLU 25 HA GLU 25 -18.806 4.616 -14.982 201 HB2 GLU 25 HB2 GLU 25 -18.673 5.418 -12.306 202 HB3 GLU 25 HB3 GLU 25 -17.990 6.761 -13.211 203 HG2 GLU 25 HG2 GLU 25 -20.469 5.654 -14.321 204 HG3 GLU 25 HG3 GLU 25 -20.626 6.406 -12.734 205 H GLY 26 H GLY 26 -15.571 4.970 -13.686 206 HA2 GLY 26 HA2 GLY 26 -14.537 5.766 -16.222 207 HA3 GLY 26 HA3 GLY 26 -14.610 7.128 -15.114 208 H SER 27 H SER 27 -12.796 7.502 -14.049 209 HA SER 27 HA SER 27 -11.290 5.351 -12.858 210 HB2 SER 27 HB2 SER 27 -10.559 5.928 -15.408 211 HB3 SER 27 HB3 SER 27 -9.545 7.065 -14.521 212 HG SER 27 HG SER 27 -8.990 4.600 -14.926 213 H VAL 28 H VAL 28 -9.300 6.275 -11.705 214 HA VAL 28 HA VAL 28 -9.811 9.034 -10.818 215 HB VAL 28 HB VAL 28 -9.076 6.771 -8.959 216 HG11 VAL 28 HG11 VAL 28 -8.248 8.795 -8.079 217 HG12 VAL 28 HG12 VAL 28 -9.768 8.497 -7.236 218 HG13 VAL 28 HG13 VAL 28 -9.701 9.681 -8.541 219 HG21 VAL 28 HG21 VAL 28 -11.720 8.153 -8.890 220 HG22 VAL 28 HG22 VAL 28 -11.273 6.550 -8.305 221 HG23 VAL 28 HG23 VAL 28 -11.459 6.837 -10.035 222 H HIS 29 H HIS 29 -8.041 10.281 -10.489 223 HA HIS 29 HA HIS 29 -5.428 9.031 -11.010 224 HB2 HIS 29 HB2 HIS 29 -6.595 11.099 -12.351 225 HB3 HIS 29 HB3 HIS 29 -5.629 11.969 -11.164 226 HD1 HIS 29 HD1 HIS 29 -4.790 12.362 -13.979 227 HD2 HIS 29 HD2 HIS 29 -3.401 9.177 -11.701 228 HE1 HIS 29 HE1 HIS 29 -2.641 11.644 -15.069 229 HE2 HIS 29 HE2 HIS 29 -1.775 9.771 -13.622 230 H LEU 30 H LEU 30 -3.580 9.813 -9.814 231 HA LEU 30 HA LEU 30 -3.894 11.518 -7.550 232 HB2 LEU 30 HB2 LEU 30 -3.434 9.783 -5.830 233 HB3 LEU 30 HB3 LEU 30 -5.020 9.654 -6.566 234 HG LEU 30 HG LEU 30 -4.052 7.858 -8.068 235 HD11 LEU 30 HD11 LEU 30 -1.771 7.992 -8.015 236 HD12 LEU 30 HD12 LEU 30 -2.036 6.740 -6.802 237 HD13 LEU 30 HD13 LEU 30 -1.723 8.402 -6.300 238 HD21 LEU 30 HD21 LEU 30 -5.256 7.689 -5.667 239 HD22 LEU 30 HD22 LEU 30 -3.744 6.850 -5.316 240 HD23 LEU 30 HD23 LEU 30 -4.782 6.287 -6.627 241 H THR 31 H THR 31 -1.891 11.400 -6.110 242 HA THR 31 HA THR 31 0.429 11.342 -7.843 243 HB THR 31 HB THR 31 1.588 12.460 -6.073 244 HG1 THR 31 HG1 THR 31 -0.604 11.742 -4.426 245 HG21 THR 31 HG21 THR 31 0.147 14.341 -5.484 246 HG22 THR 31 HG22 THR 31 -1.252 13.449 -6.081 247 HG23 THR 31 HG23 THR 31 0.029 13.928 -7.194 248 HA PRO 32 HA PRO 32 1.655 7.269 -6.587 249 HB2 PRO 32 HB2 PRO 32 4.267 7.357 -7.332 250 HB3 PRO 32 HB3 PRO 32 2.941 7.196 -8.488 251 HG2 PRO 32 HG2 PRO 32 4.477 9.641 -7.696 252 HG3 PRO 32 HG3 PRO 32 3.973 9.111 -9.312 253 HD2 PRO 32 HD2 PRO 32 2.637 11.013 -7.929 254 HD3 PRO 32 HD3 PRO 32 1.819 9.889 -9.034 255 H SER 33 H SER 33 2.858 10.135 -5.193 256 HA SER 33 HA SER 33 4.766 8.942 -3.448 257 HB2 SER 33 HB2 SER 33 4.627 11.413 -4.142 258 HB3 SER 33 HB3 SER 33 3.364 11.551 -2.920 259 HG SER 33 HG SER 33 5.009 10.576 -1.468 260 H GLU 34 H GLU 34 1.470 10.096 -3.011 261 HA GLU 34 HA GLU 34 1.323 9.050 -0.341 262 HB2 GLU 34 HB2 GLU 34 -0.725 10.245 -2.206 263 HB3 GLU 34 HB3 GLU 34 -1.170 9.582 -0.640 264 HG2 GLU 34 HG2 GLU 34 0.145 11.198 0.506 265 HG3 GLU 34 HG3 GLU 34 0.876 11.753 -0.999 266 H SER 35 H SER 35 0.309 8.093 -3.530 267 HA SER 35 HA SER 35 -1.018 5.725 -2.578 268 HB2 SER 35 HB2 SER 35 -1.714 5.411 -4.735 269 HB3 SER 35 HB3 SER 35 -1.317 7.124 -4.845 270 HG SER 35 HG SER 35 0.250 4.915 -5.674 271 H GLY 36 H GLY 36 2.168 6.693 -2.959 272 HA2 GLY 36 HA2 GLY 36 3.278 4.174 -3.770 273 HA3 GLY 36 HA3 GLY 36 4.169 5.556 -3.153 274 H ILE 37 H ILE 37 2.464 5.750 -0.771 275 HA ILE 37 HA ILE 37 3.959 4.025 0.925 276 HB ILE 37 HB ILE 37 1.506 5.680 1.532 277 HG12 ILE 37 HG12 ILE 37 3.674 6.791 2.838 278 HG13 ILE 37 HG13 ILE 37 4.363 6.271 1.303 279 HG21 ILE 37 HG21 ILE 37 2.725 5.402 3.918 280 HG22 ILE 37 HG22 ILE 37 3.093 3.835 3.196 281 HG23 ILE 37 HG23 ILE 37 1.417 4.359 3.360 282 HD11 ILE 37 HD11 ILE 37 3.691 8.403 0.817 283 HD12 ILE 37 HD12 ILE 37 2.260 8.303 1.844 284 HD13 ILE 37 HD13 ILE 37 2.291 7.470 0.291 285 H LEU 38 H LEU 38 0.586 4.071 -0.066 286 HA LEU 38 HA LEU 38 -0.131 1.696 1.303 287 HB2 LEU 38 HB2 LEU 38 -2.195 1.822 0.204 288 HB3 LEU 38 HB3 LEU 38 -1.690 3.490 0.383 289 HG LEU 38 HG LEU 38 -0.710 3.014 -2.071 290 HD11 LEU 38 HD11 LEU 38 -1.991 1.556 -3.349 291 HD12 LEU 38 HD12 LEU 38 -3.262 1.449 -2.131 292 HD13 LEU 38 HD13 LEU 38 -1.711 0.655 -1.859 293 HD21 LEU 38 HD21 LEU 38 -3.627 3.611 -1.818 294 HD22 LEU 38 HD22 LEU 38 -2.420 4.350 -2.869 295 HD23 LEU 38 HD23 LEU 38 -2.431 4.719 -1.145 296 H LYS 39 H LYS 39 1.527 2.344 -1.622 297 HA LYS 39 HA LYS 39 1.030 -0.115 -2.942 298 HB2 LYS 39 HB2 LYS 39 1.931 2.107 -3.915 299 HB3 LYS 39 HB3 LYS 39 3.498 1.548 -3.348 300 HG2 LYS 39 HG2 LYS 39 2.448 -0.614 -4.737 301 HG3 LYS 39 HG3 LYS 39 2.008 0.795 -5.701 302 HD2 LYS 39 HD2 LYS 39 4.340 1.523 -5.712 303 HD3 LYS 39 HD3 LYS 39 4.786 0.129 -4.726 304 HE2 LYS 39 HE2 LYS 39 4.000 -1.360 -6.525 305 HE3 LYS 39 HE3 LYS 39 3.627 0.053 -7.510 306 HZ1 LYS 39 HZ1 LYS 39 6.290 -0.885 -6.617 307 HZ2 LYS 39 HZ2 LYS 39 6.038 0.660 -7.257 308 HZ3 LYS 39 HZ3 LYS 39 5.726 -0.706 -8.203 309 H ARG 40 H ARG 40 3.336 0.963 -0.567 310 HA ARG 40 HA ARG 40 4.967 -1.408 -0.836 311 HB2 ARG 40 HB2 ARG 40 5.066 1.079 0.769 312 HB3 ARG 40 HB3 ARG 40 5.808 -0.340 1.495 313 HG2 ARG 40 HG2 ARG 40 7.427 1.006 0.263 314 HG3 ARG 40 HG3 ARG 40 7.254 -0.606 -0.432 315 HD2 ARG 40 HD2 ARG 40 5.371 1.133 -1.679 316 HD3 ARG 40 HD3 ARG 40 6.954 1.907 -1.706 317 HE ARG 40 HE ARG 40 6.126 -0.268 -3.298 318 HH11 ARG 40 HH11 ARG 40 8.886 0.872 -1.491 319 HH12 ARG 40 HH12 ARG 40 10.036 0.041 -2.484 320 HH21 ARG 40 HH21 ARG 40 7.638 -1.361 -4.605 321 HH22 ARG 40 HH22 ARG 40 9.329 -1.226 -4.252 322 H LEU 41 H LEU 41 2.351 -0.301 1.143 323 HA LEU 41 HA LEU 41 2.599 -2.480 3.022 324 HB2 LEU 41 HB2 LEU 41 0.246 -0.627 2.661 325 HB3 LEU 41 HB3 LEU 41 0.622 -1.603 4.068 326 HG LEU 41 HG LEU 41 1.986 0.906 3.127 327 HD11 LEU 41 HD11 LEU 41 1.587 1.140 5.786 328 HD12 LEU 41 HD12 LEU 41 0.228 0.107 5.344 329 HD13 LEU 41 HD13 LEU 41 0.435 1.674 4.562 330 HD21 LEU 41 HD21 LEU 41 3.291 0.176 5.427 331 HD22 LEU 41 HD22 LEU 41 3.931 0.026 3.791 332 HD23 LEU 41 HD23 LEU 41 3.148 -1.354 4.561 333 H LEU 42 H LEU 42 1.135 -1.903 -0.018 334 HA LEU 42 HA LEU 42 -0.885 -3.923 0.206 335 HB2 LEU 42 HB2 LEU 42 -0.055 -1.960 -1.752 336 HB3 LEU 42 HB3 LEU 42 -0.353 -3.512 -2.509 337 HG LEU 42 HG LEU 42 -2.334 -2.042 -2.525 338 HD11 LEU 42 HD11 LEU 42 -3.797 -3.796 -1.157 339 HD12 LEU 42 HD12 LEU 42 -2.288 -4.705 -1.236 340 HD13 LEU 42 HD13 LEU 42 -3.076 -4.174 -2.721 341 HD21 LEU 42 HD21 LEU 42 -2.423 -0.749 -0.659 342 HD22 LEU 42 HD22 LEU 42 -1.788 -2.017 0.388 343 HD23 LEU 42 HD23 LEU 42 -3.475 -2.057 -0.122 344 H ILE 43 H ILE 43 2.472 -3.822 -0.583 345 HA ILE 43 HA ILE 43 2.587 -6.237 -2.083 346 HB ILE 43 HB ILE 43 4.909 -5.366 -0.410 347 HG12 ILE 43 HG12 ILE 43 3.926 -3.950 -2.902 348 HG13 ILE 43 HG13 ILE 43 4.076 -3.257 -1.291 349 HG21 ILE 43 HG21 ILE 43 6.102 -5.997 -2.534 350 HG22 ILE 43 HG22 ILE 43 4.547 -6.557 -3.151 351 HG23 ILE 43 HG23 ILE 43 5.253 -7.311 -1.721 352 HD11 ILE 43 HD11 ILE 43 5.930 -2.450 -2.419 353 HD12 ILE 43 HD12 ILE 43 6.231 -3.989 -3.226 354 HD13 ILE 43 HD13 ILE 43 6.569 -3.816 -1.504 355 H ASN 44 H ASN 44 2.546 -5.474 1.321 356 HA ASN 44 HA ASN 44 3.133 -8.246 2.026 357 HB2 ASN 44 HB2 ASN 44 2.967 -5.698 3.605 358 HB3 ASN 44 HB3 ASN 44 2.932 -7.265 4.410 359 HD21 ASN 44 HD21 ASN 44 4.733 -8.759 3.789 360 HD22 ASN 44 HD22 ASN 44 6.303 -8.064 3.604 361 H LYS 45 H LYS 45 0.665 -5.802 2.587 362 HA LYS 45 HA LYS 45 -1.536 -5.930 3.162 363 HB2 LYS 45 HB2 LYS 45 -1.085 -8.209 1.304 364 HB3 LYS 45 HB3 LYS 45 -2.616 -8.158 2.168 365 HG2 LYS 45 HG2 LYS 45 -1.536 -5.898 0.499 366 HG3 LYS 45 HG3 LYS 45 -2.682 -7.110 -0.078 367 HD2 LYS 45 HD2 LYS 45 -4.237 -5.633 0.605 368 HD3 LYS 45 HD3 LYS 45 -3.893 -6.282 2.210 369 HE2 LYS 45 HE2 LYS 45 -1.941 -4.399 1.944 370 HE3 LYS 45 HE3 LYS 45 -3.273 -3.657 1.058 371 HZ1 LYS 45 HZ1 LYS 45 -3.153 -3.152 3.502 372 HZ2 LYS 45 HZ2 LYS 45 -3.591 -4.760 3.788 373 HZ3 LYS 45 HZ3 LYS 45 -4.644 -3.734 2.952 374 H GLY 46 H GLY 46 -1.256 -6.115 5.402 375 HA2 GLY 46 HA2 GLY 46 -1.960 -7.129 7.376 376 HA3 GLY 46 HA3 GLY 46 -2.211 -8.624 6.489 377 H GLN 47 H GLN 47 0.373 -6.511 7.707 378 HA GLN 47 HA GLN 47 1.783 -8.846 8.702 379 HB2 GLN 47 HB2 GLN 47 2.638 -7.318 6.346 380 HB3 GLN 47 HB3 GLN 47 3.887 -7.497 7.569 381 HG2 GLN 47 HG2 GLN 47 2.319 -9.841 6.555 382 HG3 GLN 47 HG3 GLN 47 3.762 -9.253 5.731 383 HE21 GLN 47 HE21 GLN 47 5.487 -8.667 7.642 384 HE22 GLN 47 HE22 GLN 47 5.850 -10.042 8.623 385 H LEU 48 H LEU 48 3.818 -8.122 9.911 386 HA LEU 48 HA LEU 48 3.074 -5.809 11.531 387 HB2 LEU 48 HB2 LEU 48 3.542 -7.957 12.648 388 HB3 LEU 48 HB3 LEU 48 5.174 -7.924 12.010 389 HG LEU 48 HG LEU 48 5.766 -6.055 13.372 390 HD11 LEU 48 HD11 LEU 48 2.841 -5.749 13.617 391 HD12 LEU 48 HD12 LEU 48 4.110 -4.528 13.530 392 HD13 LEU 48 HD13 LEU 48 3.793 -5.365 15.050 393 HD21 LEU 48 HD21 LEU 48 5.363 -6.937 15.627 394 HD22 LEU 48 HD22 LEU 48 5.826 -8.207 14.494 395 HD23 LEU 48 HD23 LEU 48 4.138 -8.024 14.973 396 H CYS 49 H CYS 49 4.036 -3.916 11.298 397 HA CYS 49 HA CYS 49 6.813 -3.806 10.369 398 HB2 CYS 49 HB2 CYS 49 4.431 -2.657 9.015 399 HB3 CYS 49 HB3 CYS 49 5.871 -1.647 9.081 400 HG CYS 49 HG CYS 49 5.856 -4.446 7.717 401 H LEU 50 H LEU 50 7.662 -1.487 10.587 402 HA LEU 50 HA LEU 50 6.632 -0.360 13.106 403 HB2 LEU 50 HB2 LEU 50 9.439 -0.278 11.994 404 HB3 LEU 50 HB3 LEU 50 8.920 0.485 13.484 405 HG LEU 50 HG LEU 50 10.051 -1.536 14.057 406 HD11 LEU 50 HD11 LEU 50 7.152 -2.269 14.279 407 HD12 LEU 50 HD12 LEU 50 7.840 -0.925 15.190 408 HD13 LEU 50 HD13 LEU 50 8.460 -2.559 15.426 409 HD21 LEU 50 HD21 LEU 50 9.811 -3.565 13.036 410 HD22 LEU 50 HD22 LEU 50 9.444 -2.503 11.677 411 HD23 LEU 50 HD23 LEU 50 8.134 -3.263 12.580 412 H ARG 51 H ARG 51 6.385 1.855 13.304 413 HA ARG 51 HA ARG 51 5.702 3.260 10.967 414 HB2 ARG 51 HB2 ARG 51 5.478 5.230 12.468 415 HB3 ARG 51 HB3 ARG 51 4.634 3.805 13.058 416 HG2 ARG 51 HG2 ARG 51 6.403 3.365 14.642 417 HG3 ARG 51 HG3 ARG 51 7.342 4.717 14.006 418 HD2 ARG 51 HD2 ARG 51 5.079 6.012 14.575 419 HD3 ARG 51 HD3 ARG 51 4.952 4.711 15.759 420 HE ARG 51 HE ARG 51 7.510 5.706 16.001 421 HH11 ARG 51 HH11 ARG 51 4.268 6.956 16.325 422 HH12 ARG 51 HH12 ARG 51 4.709 8.140 17.509 423 HH21 ARG 51 HH21 ARG 51 8.091 7.260 17.560 424 HH22 ARG 51 HH22 ARG 51 6.879 8.313 18.210 425 H LYS 52 H LYS 52 8.653 3.045 12.767 426 HA LYS 52 HA LYS 52 9.831 5.275 11.326 427 HB2 LYS 52 HB2 LYS 52 11.126 3.396 13.312 428 HB3 LYS 52 HB3 LYS 52 11.813 4.894 12.700 429 HG2 LYS 52 HG2 LYS 52 9.303 5.561 13.769 430 HG3 LYS 52 HG3 LYS 52 10.069 4.475 14.929 431 HD2 LYS 52 HD2 LYS 52 11.004 6.404 15.661 432 HD3 LYS 52 HD3 LYS 52 12.156 6.063 14.368 433 HE2 LYS 52 HE2 LYS 52 11.620 8.257 13.925 434 HE3 LYS 52 HE3 LYS 52 10.465 7.406 12.900 435 HZ1 LYS 52 HZ1 LYS 52 9.992 8.817 15.443 436 HZ2 LYS 52 HZ2 LYS 52 8.934 7.597 14.941 437 HZ3 LYS 52 HZ3 LYS 52 9.167 8.964 13.973 438 H HIS 53 H HIS 53 9.495 1.923 10.987 439 HA HIS 53 HA HIS 53 11.824 1.673 9.256 440 HB2 HIS 53 HB2 HIS 53 11.326 -0.198 10.759 441 HB3 HIS 53 HB3 HIS 53 9.715 -0.332 10.065 442 HD1 HIS 53 HD1 HIS 53 9.825 -2.569 8.952 443 HD2 HIS 53 HD2 HIS 53 13.078 -0.165 8.001 444 HE1 HIS 53 HE1 HIS 53 11.087 -3.820 7.173 445 HE2 HIS 53 HE2 HIS 53 13.005 -2.307 6.554 446 H LEU 54 H LEU 54 8.417 2.160 9.171 447 HA LEU 54 HA LEU 54 7.953 1.377 6.492 448 HB2 LEU 54 HB2 LEU 54 6.367 2.092 8.590 449 HB3 LEU 54 HB3 LEU 54 6.263 3.521 7.580 450 HG LEU 54 HG LEU 54 5.887 1.075 6.048 451 HD11 LEU 54 HD11 LEU 54 3.423 1.110 7.190 452 HD12 LEU 54 HD12 LEU 54 4.461 1.368 8.592 453 HD13 LEU 54 HD13 LEU 54 4.693 -0.053 7.573 454 HD21 LEU 54 HD21 LEU 54 3.686 2.414 5.604 455 HD22 LEU 54 HD22 LEU 54 5.224 2.988 4.959 456 HD23 LEU 54 HD23 LEU 54 4.553 3.716 6.418 457 H LEU 55 H LEU 55 8.946 4.352 8.038 458 HA LEU 55 HA LEU 55 8.626 6.087 5.856 459 HB2 LEU 55 HB2 LEU 55 10.389 7.464 6.960 460 HB3 LEU 55 HB3 LEU 55 9.066 7.002 8.017 461 HG LEU 55 HG LEU 55 10.649 5.024 8.656 462 HD11 LEU 55 HD11 LEU 55 12.741 5.071 7.942 463 HD12 LEU 55 HD12 LEU 55 12.941 6.741 8.474 464 HD13 LEU 55 HD13 LEU 55 12.297 6.398 6.869 465 HD21 LEU 55 HD21 LEU 55 11.332 7.765 9.672 466 HD22 LEU 55 HD22 LEU 55 11.372 6.232 10.544 467 HD23 LEU 55 HD23 LEU 55 9.826 6.939 10.075 468 H GLU 56 H GLU 56 11.043 3.713 6.587 469 HA GLU 56 HA GLU 56 13.037 4.621 4.794 470 HB2 GLU 56 HB2 GLU 56 12.492 1.914 6.006 471 HB3 GLU 56 HB3 GLU 56 13.882 2.239 4.980 472 HG2 GLU 56 HG2 GLU 56 14.237 4.206 6.712 473 HG3 GLU 56 HG3 GLU 56 13.318 3.118 7.752 474 H GLU 57 H GLU 57 10.084 2.923 4.327 475 HA GLU 57 HA GLU 57 10.883 1.934 1.708 476 HB2 GLU 57 HB2 GLU 57 8.122 1.782 2.911 477 HB3 GLU 57 HB3 GLU 57 8.806 0.775 1.642 478 HG2 GLU 57 HG2 GLU 57 10.346 0.633 4.092 479 HG3 GLU 57 HG3 GLU 57 8.661 0.172 4.331 480 H ILE 58 H ILE 58 9.295 4.626 3.102 481 HA ILE 58 HA ILE 58 8.080 5.415 0.576 482 HB ILE 58 HB ILE 58 8.116 7.196 2.982 483 HG12 ILE 58 HG12 ILE 58 7.479 4.906 3.763 484 HG13 ILE 58 HG13 ILE 58 6.191 6.091 3.932 485 HG21 ILE 58 HG21 ILE 58 7.157 8.148 1.035 486 HG22 ILE 58 HG22 ILE 58 5.815 7.705 2.090 487 HG23 ILE 58 HG23 ILE 58 6.218 6.692 0.702 488 HD11 ILE 58 HD11 ILE 58 5.870 4.912 1.402 489 HD12 ILE 58 HD12 ILE 58 4.851 4.731 2.830 490 HD13 ILE 58 HD13 ILE 58 6.179 3.605 2.546 491 H LYS 59 H LYS 59 10.918 5.893 2.432 492 HA LYS 59 HA LYS 59 11.675 8.395 1.232 493 HB2 LYS 59 HB2 LYS 59 12.549 6.843 3.422 494 HB3 LYS 59 HB3 LYS 59 13.909 6.927 2.311 495 HG2 LYS 59 HG2 LYS 59 12.719 9.517 2.562 496 HG3 LYS 59 HG3 LYS 59 13.063 8.860 4.163 497 HD2 LYS 59 HD2 LYS 59 15.367 8.509 3.587 498 HD3 LYS 59 HD3 LYS 59 15.060 8.946 1.905 499 HE2 LYS 59 HE2 LYS 59 16.084 10.818 2.980 500 HE3 LYS 59 HE3 LYS 59 14.391 11.215 2.691 501 HZ1 LYS 59 HZ1 LYS 59 14.166 10.250 5.114 502 HZ2 LYS 59 HZ2 LYS 59 14.586 11.867 4.844 503 HZ3 LYS 59 HZ3 LYS 59 15.785 10.733 5.216 504 H ASN 60 H ASN 60 12.129 4.986 0.604 505 HA ASN 60 HA ASN 60 14.066 5.516 -1.486 506 HB2 ASN 60 HB2 ASN 60 13.079 3.086 -0.080 507 HB3 ASN 60 HB3 ASN 60 13.683 2.888 -1.723 508 HD21 ASN 60 HD21 ASN 60 14.543 4.336 1.390 509 HD22 ASN 60 HD22 ASN 60 16.236 4.016 1.267 510 H HIS 61 H HIS 61 11.623 6.709 -1.949 511 HA HIS 61 HA HIS 61 10.967 5.735 -4.518 512 HB2 HIS 61 HB2 HIS 61 9.739 4.144 -2.879 513 HB3 HIS 61 HB3 HIS 61 8.675 5.513 -2.582 514 HD1 HIS 61 HD1 HIS 61 9.941 3.549 -5.590 515 HD2 HIS 61 HD2 HIS 61 6.570 5.593 -4.275 516 HE1 HIS 61 HE1 HIS 61 8.214 3.224 -7.388 517 HE2 HIS 61 HE2 HIS 61 6.211 4.539 -6.609 518 H ALA 62 H ALA 62 9.849 7.594 -1.728 519 HA ALA 62 HA ALA 62 9.943 10.083 -2.963 520 HB1 ALA 62 HB1 ALA 62 8.188 9.730 -4.403 521 HB2 ALA 62 HB2 ALA 62 7.335 10.392 -3.008 522 HB3 ALA 62 HB3 ALA 62 7.348 8.651 -3.290 523 H LYS 63 H LYS 63 10.641 10.886 -1.043 524 HA LYS 63 HA LYS 63 9.438 10.269 1.459 525 HB2 LYS 63 HB2 LYS 63 11.807 10.980 1.181 526 HB3 LYS 63 HB3 LYS 63 11.244 12.593 0.769 527 HG2 LYS 63 HG2 LYS 63 10.258 12.837 2.974 528 HG3 LYS 63 HG3 LYS 63 10.755 11.197 3.392 529 HD2 LYS 63 HD2 LYS 63 12.866 11.826 3.823 530 HD3 LYS 63 HD3 LYS 63 12.939 12.874 2.405 531 HE2 LYS 63 HE2 LYS 63 13.163 14.054 4.604 532 HE3 LYS 63 HE3 LYS 63 11.870 14.654 3.566 533 HZ1 LYS 63 HZ1 LYS 63 10.288 13.966 4.991 534 HZ2 LYS 63 HZ2 LYS 63 11.533 14.063 6.132 535 HZ3 LYS 63 HZ3 LYS 63 11.127 12.570 5.449 536 H ALA 64 H ALA 64 7.230 10.821 0.346 537 HA ALA 64 HA ALA 64 5.405 12.179 0.131 538 HB1 ALA 64 HB1 ALA 64 5.754 11.853 2.620 539 HB2 ALA 64 HB2 ALA 64 4.752 13.222 2.139 540 HB3 ALA 64 HB3 ALA 64 6.422 13.486 2.639 541 H ILE 65 H ILE 65 5.717 13.428 -1.682 542 HA ILE 65 HA ILE 65 7.196 15.928 -1.395 543 HB ILE 65 HB ILE 65 7.574 14.414 -3.379 544 HG12 ILE 65 HG12 ILE 65 7.815 16.236 -4.952 545 HG13 ILE 65 HG13 ILE 65 6.630 17.201 -4.082 546 HG21 ILE 65 HG21 ILE 65 4.907 14.240 -3.554 547 HG22 ILE 65 HG22 ILE 65 5.987 13.964 -4.921 548 HG23 ILE 65 HG23 ILE 65 5.195 15.528 -4.724 549 HD11 ILE 65 HD11 ILE 65 8.106 17.489 -2.242 550 HD12 ILE 65 HD12 ILE 65 9.007 17.853 -3.714 551 HD13 ILE 65 HD13 ILE 65 9.242 16.309 -2.896 552 H VAL 66 H VAL 66 4.656 15.530 -0.103 553 HA VAL 66 HA VAL 66 3.376 17.969 -0.938 554 HB VAL 66 HB VAL 66 1.701 15.454 -0.933 555 HG11 VAL 66 HG11 VAL 66 0.171 17.059 -0.462 556 HG12 VAL 66 HG12 VAL 66 0.219 17.268 -2.213 557 HG13 VAL 66 HG13 VAL 66 1.143 18.350 -1.171 558 HG21 VAL 66 HG21 VAL 66 2.759 17.042 -3.267 559 HG22 VAL 66 HG22 VAL 66 1.492 15.822 -3.382 560 HG23 VAL 66 HG23 VAL 66 3.116 15.360 -2.874 561 H ALA 67 H ALA 67 4.747 17.139 1.385 562 HA ALA 67 HA ALA 67 2.915 17.957 3.383 563 HB1 ALA 67 HB1 ALA 67 2.612 15.315 2.847 564 HB2 ALA 67 HB2 ALA 67 2.265 16.064 4.406 565 HB3 ALA 67 HB3 ALA 67 3.814 15.265 4.138 566 H ARG 68 H ARG 68 4.130 16.913 5.655 567 HA ARG 68 HA ARG 68 6.834 18.043 5.418 568 HB2 ARG 68 HB2 ARG 68 5.325 19.320 6.869 569 HB3 ARG 68 HB3 ARG 68 5.033 17.883 7.839 570 HG2 ARG 68 HG2 ARG 68 7.486 17.848 8.355 571 HG3 ARG 68 HG3 ARG 68 7.600 19.424 7.569 572 HD2 ARG 68 HD2 ARG 68 6.018 18.696 10.024 573 HD3 ARG 68 HD3 ARG 68 7.384 19.805 9.911 574 HE ARG 68 HE ARG 68 5.573 20.918 8.252 575 HH11 ARG 68 HH11 ARG 68 5.383 19.798 11.553 576 HH12 ARG 68 HH12 ARG 68 4.166 20.944 12.003 577 HH21 ARG 68 HH21 ARG 68 3.973 22.428 8.844 578 HH22 ARG 68 HH22 ARG 68 3.365 22.437 10.466 579 H ASN 69 H ASN 69 5.013 15.274 6.370 580 HA ASN 69 HA ASN 69 7.480 13.790 6.783 581 HB2 ASN 69 HB2 ASN 69 5.270 13.687 8.844 582 HB3 ASN 69 HB3 ASN 69 6.820 12.853 8.905 583 HD21 ASN 69 HD21 ASN 69 5.221 15.947 9.123 584 HD22 ASN 69 HD22 ASN 69 6.504 16.772 9.935 585 H VAL 70 H VAL 70 6.628 11.368 7.473 586 HA VAL 70 HA VAL 70 4.986 10.610 5.199 587 HB VAL 70 HB VAL 70 7.125 9.415 5.672 588 HG11 VAL 70 HG11 VAL 70 7.404 7.981 7.488 589 HG12 VAL 70 HG12 VAL 70 5.684 7.987 7.880 590 HG13 VAL 70 HG13 VAL 70 6.668 9.416 8.202 591 HG21 VAL 70 HG21 VAL 70 5.823 7.062 5.678 592 HG22 VAL 70 HG22 VAL 70 5.936 8.112 4.266 593 HG23 VAL 70 HG23 VAL 70 4.493 8.149 5.280 594 H ASP 71 H ASP 71 4.829 10.706 8.660 595 HA ASP 71 HA ASP 71 2.676 8.960 9.070 596 HB2 ASP 71 HB2 ASP 71 4.278 10.428 10.713 597 HB3 ASP 71 HB3 ASP 71 2.763 11.320 10.827 598 H VAL 72 H VAL 72 2.649 12.480 8.907 599 HA VAL 72 HA VAL 72 -0.145 12.757 8.799 600 HB VAL 72 HB VAL 72 1.859 14.655 7.573 601 HG11 VAL 72 HG11 VAL 72 -0.458 15.119 6.991 602 HG12 VAL 72 HG12 VAL 72 0.167 16.354 8.084 603 HG13 VAL 72 HG13 VAL 72 -0.906 15.095 8.696 604 HG21 VAL 72 HG21 VAL 72 0.975 14.338 10.434 605 HG22 VAL 72 HG22 VAL 72 1.730 15.807 9.813 606 HG23 VAL 72 HG23 VAL 72 2.616 14.282 9.790 607 H HIS 73 H HIS 73 2.158 11.806 6.449 608 HA HIS 73 HA HIS 73 0.648 12.486 4.129 609 HB2 HIS 73 HB2 HIS 73 3.228 11.806 4.499 610 HB3 HIS 73 HB3 HIS 73 2.585 10.245 4.000 611 HD1 HIS 73 HD1 HIS 73 1.348 13.499 2.574 612 HD2 HIS 73 HD2 HIS 73 3.733 10.277 1.484 613 HE1 HIS 73 HE1 HIS 73 1.775 13.782 0.113 614 HE2 HIS 73 HE2 HIS 73 3.134 11.766 -0.544 615 H ILE 74 H ILE 74 0.832 9.767 6.283 616 HA ILE 74 HA ILE 74 -0.527 7.893 4.660 617 HB ILE 74 HB ILE 74 -0.369 8.017 7.674 618 HG12 ILE 74 HG12 ILE 74 1.217 6.069 6.099 619 HG13 ILE 74 HG13 ILE 74 1.727 7.751 5.996 620 HG21 ILE 74 HG21 ILE 74 -0.767 5.516 7.436 621 HG22 ILE 74 HG22 ILE 74 -1.301 5.868 5.792 622 HG23 ILE 74 HG23 ILE 74 -2.154 6.572 7.167 623 HD11 ILE 74 HD11 ILE 74 2.007 5.838 8.166 624 HD12 ILE 74 HD12 ILE 74 1.372 7.399 8.687 625 HD13 ILE 74 HD13 ILE 74 2.909 7.315 7.827 626 H ALA 75 H ALA 75 -1.583 10.512 6.660 627 HA ALA 75 HA ALA 75 -4.289 9.685 6.914 628 HB1 ALA 75 HB1 ALA 75 -3.015 11.379 8.361 629 HB2 ALA 75 HB2 ALA 75 -4.695 11.734 7.958 630 HB3 ALA 75 HB3 ALA 75 -3.390 12.535 7.084 631 H SER 76 H SER 76 -2.578 11.870 4.772 632 HA SER 76 HA SER 76 -4.823 12.733 3.298 633 HB2 SER 76 HB2 SER 76 -1.867 12.721 2.817 634 HB3 SER 76 HB3 SER 76 -2.946 13.077 1.469 635 HG SER 76 HG SER 76 -3.466 14.932 2.357 636 H LEU 77 H LEU 77 -2.940 9.852 3.257 637 HA LEU 77 HA LEU 77 -3.540 8.912 0.683 638 HB2 LEU 77 HB2 LEU 77 -2.459 7.829 3.157 639 HB3 LEU 77 HB3 LEU 77 -3.446 6.659 2.302 640 HG LEU 77 HG LEU 77 -1.951 7.485 0.252 641 HD11 LEU 77 HD11 LEU 77 -0.490 8.999 1.101 642 HD12 LEU 77 HD12 LEU 77 0.429 7.527 1.417 643 HD13 LEU 77 HD13 LEU 77 -0.505 8.279 2.710 644 HD21 LEU 77 HD21 LEU 77 -1.168 5.389 0.322 645 HD22 LEU 77 HD22 LEU 77 -2.180 5.214 1.755 646 HD23 LEU 77 HD23 LEU 77 -0.467 5.602 1.926 647 H ARG 78 H ARG 78 -5.222 8.784 3.730 648 HA ARG 78 HA ARG 78 -7.233 6.986 3.138 649 HB2 ARG 78 HB2 ARG 78 -6.917 7.900 5.375 650 HB3 ARG 78 HB3 ARG 78 -7.394 9.496 4.813 651 HG2 ARG 78 HG2 ARG 78 -9.419 7.522 4.219 652 HG3 ARG 78 HG3 ARG 78 -9.029 7.560 5.940 653 HD2 ARG 78 HD2 ARG 78 -9.482 9.916 6.048 654 HD3 ARG 78 HD3 ARG 78 -9.685 10.002 4.299 655 HE ARG 78 HE ARG 78 -11.546 8.178 5.135 656 HH11 ARG 78 HH11 ARG 78 -10.830 11.510 5.887 657 HH12 ARG 78 HH12 ARG 78 -12.474 11.909 6.258 658 HH21 ARG 78 HH21 ARG 78 -13.706 8.700 5.623 659 HH22 ARG 78 HH22 ARG 78 -14.107 10.314 6.109 660 H LYS 79 H LYS 79 -6.721 10.178 1.944 661 HA LYS 79 HA LYS 79 -9.416 10.560 1.022 662 HB2 LYS 79 HB2 LYS 79 -7.632 12.359 1.634 663 HB3 LYS 79 HB3 LYS 79 -7.079 12.110 -0.017 664 HG2 LYS 79 HG2 LYS 79 -9.091 12.894 -0.928 665 HG3 LYS 79 HG3 LYS 79 -9.940 12.753 0.613 666 HD2 LYS 79 HD2 LYS 79 -7.705 14.689 0.004 667 HD3 LYS 79 HD3 LYS 79 -9.422 15.089 0.066 668 HE2 LYS 79 HE2 LYS 79 -8.843 13.774 2.478 669 HE3 LYS 79 HE3 LYS 79 -7.514 14.901 2.207 670 HZ1 LYS 79 HZ1 LYS 79 -8.938 16.323 3.186 671 HZ2 LYS 79 HZ2 LYS 79 -10.315 15.436 2.765 672 HZ3 LYS 79 HZ3 LYS 79 -9.586 16.454 1.628 673 H LYS 80 H LYS 80 -6.328 10.155 -0.625 674 HA LYS 80 HA LYS 80 -7.498 9.696 -3.163 675 HB2 LYS 80 HB2 LYS 80 -4.731 8.817 -2.407 676 HB3 LYS 80 HB3 LYS 80 -5.313 9.365 -3.972 677 HG2 LYS 80 HG2 LYS 80 -5.706 11.621 -2.809 678 HG3 LYS 80 HG3 LYS 80 -4.659 10.982 -1.540 679 HD2 LYS 80 HD2 LYS 80 -2.900 11.618 -2.742 680 HD3 LYS 80 HD3 LYS 80 -3.357 10.435 -3.967 681 HE2 LYS 80 HE2 LYS 80 -3.531 12.200 -5.335 682 HE3 LYS 80 HE3 LYS 80 -5.060 12.501 -4.510 683 HZ1 LYS 80 HZ1 LYS 80 -4.229 14.277 -3.441 684 HZ2 LYS 80 HZ2 LYS 80 -3.096 14.291 -4.696 685 HZ3 LYS 80 HZ3 LYS 80 -2.703 13.584 -3.211 686 H LEU 81 H LEU 81 -5.846 7.567 -0.908 687 HA LEU 81 HA LEU 81 -6.461 5.177 -2.320 688 HB2 LEU 81 HB2 LEU 81 -4.549 5.128 -0.941 689 HB3 LEU 81 HB3 LEU 81 -5.422 5.758 0.438 690 HG LEU 81 HG LEU 81 -6.357 3.701 0.967 691 HD11 LEU 81 HD11 LEU 81 -7.393 2.720 -0.766 692 HD12 LEU 81 HD12 LEU 81 -5.899 1.792 -0.888 693 HD13 LEU 81 HD13 LEU 81 -6.149 3.199 -1.920 694 HD21 LEU 81 HD21 LEU 81 -4.152 2.184 0.021 695 HD22 LEU 81 HD22 LEU 81 -4.423 2.850 1.631 696 HD23 LEU 81 HD23 LEU 81 -3.578 3.804 0.415 697 H GLY 82 H GLY 82 -7.514 6.064 0.977 698 HA2 GLY 82 HA2 GLY 82 -9.998 6.254 1.281 699 HA3 GLY 82 HA3 GLY 82 -10.096 4.763 0.358 700 H ALA 83 H ALA 83 -10.969 3.424 1.849 701 HA ALA 83 HA ALA 83 -10.297 3.373 4.584 702 HB1 ALA 83 HB1 ALA 83 -12.389 2.475 3.926 703 HB2 ALA 83 HB2 ALA 83 -11.434 1.129 4.550 704 HB3 ALA 83 HB3 ALA 83 -11.627 1.342 2.810 705 H TYR 84 H TYR 84 -8.633 2.181 1.861 706 HA TYR 84 HA TYR 84 -7.272 0.040 3.212 707 HB2 TYR 84 HB2 TYR 84 -7.447 1.062 0.505 708 HB3 TYR 84 HB3 TYR 84 -5.780 0.708 0.947 709 HD1 TYR 84 HD1 TYR 84 -9.165 -0.749 0.644 710 HD2 TYR 84 HD2 TYR 84 -5.011 -1.529 1.127 711 HE1 TYR 84 HE1 TYR 84 -9.571 -3.138 0.225 712 HE2 TYR 84 HE2 TYR 84 -5.405 -3.920 0.709 713 HH TYR 84 HH TYR 84 -8.394 -5.109 -0.485 714 H GLY 85 H GLY 85 -6.901 3.432 3.018 715 HA2 GLY 85 HA2 GLY 85 -4.048 3.440 3.513 716 HA3 GLY 85 HA3 GLY 85 -5.113 4.837 3.522 717 H SER 86 H SER 86 -7.018 3.882 5.355 718 HA SER 86 HA SER 86 -5.766 4.568 7.802 719 HB2 SER 86 HB2 SER 86 -8.478 3.940 6.875 720 HB3 SER 86 HB3 SER 86 -8.161 3.412 8.526 721 HG SER 86 HG SER 86 -7.615 5.511 9.067 722 H ARG 87 H ARG 87 -5.931 1.664 6.069 723 HA ARG 87 HA ARG 87 -6.214 -0.348 7.897 724 HB2 ARG 87 HB2 ARG 87 -4.980 -0.036 5.330 725 HB3 ARG 87 HB3 ARG 87 -4.013 -1.107 6.335 726 HG2 ARG 87 HG2 ARG 87 -5.683 -2.292 4.996 727 HG3 ARG 87 HG3 ARG 87 -5.906 -2.535 6.721 728 HD2 ARG 87 HD2 ARG 87 -7.456 -0.321 6.178 729 HD3 ARG 87 HD3 ARG 87 -7.674 -1.323 4.747 730 HE ARG 87 HE ARG 87 -8.500 -3.075 6.169 731 HH11 ARG 87 HH11 ARG 87 -8.154 0.040 7.727 732 HH12 ARG 87 HH12 ARG 87 -9.269 -0.339 8.993 733 HH21 ARG 87 HH21 ARG 87 -9.961 -3.560 7.837 734 HH22 ARG 87 HH22 ARG 87 -10.292 -2.377 9.057 735 H ILE 88 H ILE 88 -3.569 1.909 7.603 736 HA ILE 88 HA ILE 88 -1.522 0.632 8.917 737 HB ILE 88 HB ILE 88 -1.001 2.995 9.806 738 HG12 ILE 88 HG12 ILE 88 -2.598 4.241 7.747 739 HG13 ILE 88 HG13 ILE 88 -3.621 3.445 8.939 740 HG21 ILE 88 HG21 ILE 88 -0.252 1.731 7.625 741 HG22 ILE 88 HG22 ILE 88 0.173 3.421 7.900 742 HG23 ILE 88 HG23 ILE 88 -1.183 3.012 6.849 743 HD11 ILE 88 HD11 ILE 88 -3.281 5.069 10.400 744 HD12 ILE 88 HD12 ILE 88 -2.443 5.957 9.128 745 HD13 ILE 88 HD13 ILE 88 -1.531 4.930 10.235 746 H VAL 89 H VAL 89 -2.193 -0.689 10.613 747 HA VAL 89 HA VAL 89 -3.662 0.488 12.831 748 HB VAL 89 HB VAL 89 -2.574 -2.316 12.596 749 HG11 VAL 89 HG11 VAL 89 -4.224 -0.883 14.573 750 HG12 VAL 89 HG12 VAL 89 -3.114 -2.238 14.781 751 HG13 VAL 89 HG13 VAL 89 -4.739 -2.518 14.157 752 HG21 VAL 89 HG21 VAL 89 -4.027 -2.278 10.812 753 HG22 VAL 89 HG22 VAL 89 -5.074 -1.069 11.554 754 HG23 VAL 89 HG23 VAL 89 -5.115 -2.738 12.121 755 H THR 90 H THR 90 -2.642 1.511 14.412 756 HA THR 90 HA THR 90 0.194 1.022 14.880 757 HB THR 90 HB THR 90 -1.541 3.034 16.306 758 HG1 THR 90 HG1 THR 90 -0.331 3.203 13.760 759 HG21 THR 90 HG21 THR 90 0.643 2.811 17.272 760 HG22 THR 90 HG22 THR 90 0.549 4.336 16.392 761 HG23 THR 90 HG23 THR 90 1.401 2.962 15.687 762 H LEU 91 H LEU 91 -0.176 -1.126 15.755 763 HA LEU 91 HA LEU 91 -1.675 -1.510 18.145 764 HB2 LEU 91 HB2 LEU 91 0.276 -3.132 16.571 765 HB3 LEU 91 HB3 LEU 91 -0.133 -3.644 18.197 766 HG LEU 91 HG LEU 91 -2.549 -3.072 16.758 767 HD11 LEU 91 HD11 LEU 91 -0.687 -3.788 14.945 768 HD12 LEU 91 HD12 LEU 91 -2.401 -4.180 14.807 769 HD13 LEU 91 HD13 LEU 91 -1.272 -5.374 15.447 770 HD21 LEU 91 HD21 LEU 91 -1.960 -4.636 18.759 771 HD22 LEU 91 HD22 LEU 91 -1.620 -5.813 17.490 772 HD23 LEU 91 HD23 LEU 91 -3.226 -5.098 17.622 773 H ARG 92 H ARG 92 -1.122 -1.195 20.203 774 HA ARG 92 HA ARG 92 1.424 -0.009 20.826 775 HB2 ARG 92 HB2 ARG 92 -1.103 0.163 21.910 776 HB3 ARG 92 HB3 ARG 92 -0.247 -0.812 23.096 777 HG2 ARG 92 HG2 ARG 92 0.983 1.712 22.085 778 HG3 ARG 92 HG3 ARG 92 -0.280 1.773 23.316 779 HD2 ARG 92 HD2 ARG 92 1.039 0.837 24.912 780 HD3 ARG 92 HD3 ARG 92 1.923 -0.154 23.752 781 HE ARG 92 HE ARG 92 2.759 2.344 23.169 782 HH11 ARG 92 HH11 ARG 92 2.570 0.547 26.155 783 HH12 ARG 92 HH12 ARG 92 3.924 1.354 26.871 784 HH21 ARG 92 HH21 ARG 92 4.540 3.406 24.110 785 HH22 ARG 92 HH22 ARG 92 5.042 2.977 25.711 786 H GLY 93 H GLY 93 2.961 -1.608 20.456 787 HA2 GLY 93 HA2 GLY 93 4.261 -3.003 22.132 788 HA3 GLY 93 HA3 GLY 93 2.799 -3.977 22.210 789 H VAL 94 H VAL 94 2.326 -3.581 19.298 790 HA VAL 94 HA VAL 94 4.223 -5.622 18.369 791 HB VAL 94 HB VAL 94 1.841 -4.911 16.733 792 HG11 VAL 94 HG11 VAL 94 2.463 -6.764 15.689 793 HG12 VAL 94 HG12 VAL 94 2.203 -7.698 17.162 794 HG13 VAL 94 HG13 VAL 94 3.779 -6.974 16.843 795 HG21 VAL 94 HG21 VAL 94 0.992 -5.003 19.074 796 HG22 VAL 94 HG22 VAL 94 1.588 -6.659 19.176 797 HG23 VAL 94 HG23 VAL 94 0.323 -6.247 18.019 798 H GLY 95 H GLY 95 2.485 -2.779 17.092 799 HA2 GLY 95 HA2 GLY 95 4.120 -1.035 16.208 800 HA3 GLY 95 HA3 GLY 95 4.735 -2.361 15.232 801 H TYR 96 H TYR 96 4.182 -0.685 13.544 802 HA TYR 96 HA TYR 96 1.455 -0.176 12.923 803 HB2 TYR 96 HB2 TYR 96 4.061 0.484 11.823 804 HB3 TYR 96 HB3 TYR 96 2.907 0.104 10.551 805 HD1 TYR 96 HD1 TYR 96 3.006 2.061 13.738 806 HD2 TYR 96 HD2 TYR 96 1.706 1.874 9.692 807 HE1 TYR 96 HE1 TYR 96 2.054 4.318 13.947 808 HE2 TYR 96 HE2 TYR 96 0.750 4.132 9.889 809 HH TYR 96 HH TYR 96 0.395 5.721 12.905 810 H LEU 97 H LEU 97 0.215 -1.983 12.673 811 HA LEU 97 HA LEU 97 1.102 -3.952 10.671 812 HB2 LEU 97 HB2 LEU 97 0.765 -4.954 12.840 813 HB3 LEU 97 HB3 LEU 97 -0.828 -4.232 12.971 814 HG LEU 97 HG LEU 97 -1.041 -5.693 10.649 815 HD11 LEU 97 HD11 LEU 97 1.274 -6.641 11.666 816 HD12 LEU 97 HD12 LEU 97 0.159 -7.589 10.681 817 HD13 LEU 97 HD13 LEU 97 0.111 -7.717 12.440 818 HD21 LEU 97 HD21 LEU 97 -1.705 -6.528 13.469 819 HD22 LEU 97 HD22 LEU 97 -2.382 -7.238 12.004 820 HD23 LEU 97 HD23 LEU 97 -2.712 -5.552 12.400 821 H PHE 98 H PHE 98 0.337 -2.962 8.829 822 HA PHE 98 HA PHE 98 -2.281 -1.878 8.603 823 HB2 PHE 98 HB2 PHE 98 -1.768 -2.107 6.074 824 HB3 PHE 98 HB3 PHE 98 -0.787 -1.004 7.031 825 HD1 PHE 98 HD1 PHE 98 -0.844 -4.187 5.223 826 HD2 PHE 98 HD2 PHE 98 1.539 -1.464 7.465 827 HE1 PHE 98 HE1 PHE 98 1.188 -5.340 4.456 828 HE2 PHE 98 HE2 PHE 98 3.575 -2.613 6.700 829 HZ PHE 98 HZ PHE 98 3.402 -4.553 5.193 830 H SER 99 H SER 99 -3.262 -3.811 9.672 831 HA SER 99 HA SER 99 -3.519 -6.241 8.188 832 HB2 SER 99 HB2 SER 99 -5.552 -6.417 9.932 833 HB3 SER 99 HB3 SER 99 -3.876 -6.710 10.396 834 HG SER 99 HG SER 99 -5.515 -4.902 11.374 835 H ASP 100 H ASP 100 -4.800 -6.629 6.519 836 HA ASP 100 HA ASP 100 -7.272 -5.067 6.238 837 HB2 ASP 100 HB2 ASP 100 -5.574 -4.186 4.688 838 HB3 ASP 100 HB3 ASP 100 -5.388 -5.788 3.990 839 H ASP 101 H ASP 101 -5.877 -7.551 4.189 840 HA ASP 101 HA ASP 101 -7.616 -9.606 5.145 841 HB2 ASP 101 HB2 ASP 101 -8.832 -7.948 3.389 842 HB3 ASP 101 HB3 ASP 101 -8.106 -9.099 2.271 843 H GLY 102 H GLY 102 -5.879 -8.660 2.178 844 HA2 GLY 102 HA2 GLY 102 -3.627 -9.945 2.118 845 HA3 GLY 102 HA3 GLY 102 -4.687 -11.346 2.102 846 H ASP 103 H ASP 103 -4.241 -8.259 0.376 847 HA ASP 103 HA ASP 103 -5.561 -9.019 -1.974 848 HB2 ASP 103 HB2 ASP 103 -4.413 -6.713 -1.064 849 HB3 ASP 103 HB3 ASP 103 -3.284 -7.184 -2.331 850 H LYS 104 H LYS 104 -3.951 -8.672 -4.110 851 HA LYS 104 HA LYS 104 -2.760 -11.205 -4.422 852 HB2 LYS 104 HB2 LYS 104 -3.297 -8.887 -6.066 853 HB3 LYS 104 HB3 LYS 104 -1.710 -9.553 -6.428 854 HG2 LYS 104 HG2 LYS 104 -3.258 -11.800 -6.326 855 HG3 LYS 104 HG3 LYS 104 -4.370 -10.609 -7.004 856 HD2 LYS 104 HD2 LYS 104 -3.255 -10.502 -8.952 857 HD3 LYS 104 HD3 LYS 104 -1.678 -10.533 -8.159 858 HE2 LYS 104 HE2 LYS 104 -1.527 -12.579 -9.081 859 HE3 LYS 104 HE3 LYS 104 -2.515 -13.062 -7.703 860 HZ1 LYS 104 HZ1 LYS 104 -3.316 -13.840 -9.924 861 HZ2 LYS 104 HZ2 LYS 104 -3.666 -12.230 -10.305 862 HZ3 LYS 104 HZ3 LYS 104 -4.462 -12.985 -9.018 863 H LYS 105 H LYS 105 -0.532 -11.687 -4.927 864 HA LYS 105 HA LYS 105 1.480 -9.800 -4.088 865 HB2 LYS 105 HB2 LYS 105 0.661 -11.069 -2.031 866 HB3 LYS 105 HB3 LYS 105 1.395 -12.496 -2.750 867 HG2 LYS 105 HG2 LYS 105 3.123 -10.117 -2.560 868 HG3 LYS 105 HG3 LYS 105 2.659 -10.868 -1.032 869 HD2 LYS 105 HD2 LYS 105 3.325 -13.039 -2.553 870 HD3 LYS 105 HD3 LYS 105 4.465 -11.823 -3.133 871 HE2 LYS 105 HE2 LYS 105 4.039 -12.630 -0.257 872 HE3 LYS 105 HE3 LYS 105 5.398 -13.105 -1.274 873 HZ1 LYS 105 HZ1 LYS 105 4.812 -10.251 -0.857 874 HZ2 LYS 105 HZ2 LYS 105 6.285 -10.997 -1.227 875 HZ3 LYS 105 HZ3 LYS 105 5.646 -11.119 0.334 876 H PHE 106 H PHE 106 3.367 -10.071 -5.158 877 HA PHE 106 HA PHE 106 3.461 -11.821 -7.366 878 HB2 PHE 106 HB2 PHE 106 4.923 -9.598 -6.449 879 HB3 PHE 106 HB3 PHE 106 6.091 -10.905 -6.615 880 HD1 PHE 106 HD1 PHE 106 5.888 -12.269 -8.863 881 HD2 PHE 106 HD2 PHE 106 4.461 -8.302 -8.284 882 HE1 PHE 106 HE1 PHE 106 5.968 -11.890 -11.293 883 HE2 PHE 106 HE2 PHE 106 4.537 -7.916 -10.713 884 HZ PHE 106 HZ PHE 106 5.291 -9.712 -12.221 885 H SER 107 H SER 107 3.258 -13.950 -6.726 886 HA SER 107 HA SER 107 4.772 -15.152 -4.669 887 HB2 SER 107 HB2 SER 107 2.610 -15.926 -6.093 888 HB3 SER 107 HB3 SER 107 3.860 -16.872 -6.901 889 HG SER 107 HG SER 107 4.481 -17.505 -4.675 890 H GLN 108 H GLN 108 6.671 -16.279 -4.693 891 HA GLN 108 HA GLN 108 8.593 -15.602 -6.636 892 HB2 GLN 108 HB2 GLN 108 9.947 -17.455 -5.460 893 HB3 GLN 108 HB3 GLN 108 9.485 -16.039 -4.528 894 HG2 GLN 108 HG2 GLN 108 8.183 -17.219 -3.141 895 HG3 GLN 108 HG3 GLN 108 7.559 -18.246 -4.429 896 HE21 GLN 108 HE21 GLN 108 8.244 -20.271 -4.513 897 HE22 GLN 108 HE22 GLN 108 9.605 -20.911 -3.664 898 H GLN 109 H GLN 109 6.717 -18.558 -6.099 899 HA GLN 109 HA GLN 109 7.989 -20.021 -8.171 900 HB2 GLN 109 HB2 GLN 109 5.980 -21.541 -7.828 901 HB3 GLN 109 HB3 GLN 109 7.038 -21.313 -6.451 902 HG2 GLN 109 HG2 GLN 109 4.935 -19.349 -6.467 903 HG3 GLN 109 HG3 GLN 109 4.274 -20.981 -6.553 904 HE21 GLN 109 HE21 GLN 109 3.407 -20.605 -4.451 905 HE22 GLN 109 HE22 GLN 109 4.407 -20.765 -3.051 906 H ASP 110 H ASP 110 6.821 -20.870 -10.070 907 HA ASP 110 HA ASP 110 5.098 -18.792 -11.236 908 HB2 ASP 110 HB2 ASP 110 7.450 -19.560 -12.226 909 HB3 ASP 110 HB3 ASP 110 6.448 -20.806 -12.964 910 H THR 111 H THR 111 5.396 -22.164 -10.532 911 HA THR 111 HA THR 111 2.934 -22.783 -11.940 912 HB THR 111 HB THR 111 4.408 -24.864 -10.414 913 HG1 THR 111 HG1 THR 111 6.047 -24.956 -11.822 914 HG21 THR 111 HG21 THR 111 2.491 -25.560 -11.689 915 HG22 THR 111 HG22 THR 111 3.959 -26.204 -12.424 916 HG23 THR 111 HG23 THR 111 3.149 -24.813 -13.144 917 H LYS 112 H LYS 112 1.543 -21.617 -10.508 918 HA LYS 112 HA LYS 112 1.411 -21.997 -7.740 919 HB2 LYS 112 HB2 LYS 112 0.125 -20.385 -9.493 920 HB3 LYS 112 HB3 LYS 112 -1.151 -21.544 -9.146 921 HG2 LYS 112 HG2 LYS 112 -1.456 -19.799 -7.614 922 HG3 LYS 112 HG3 LYS 112 -0.693 -21.096 -6.693 923 HD2 LYS 112 HD2 LYS 112 1.518 -19.867 -7.379 924 HD3 LYS 112 HD3 LYS 112 0.440 -18.488 -7.602 925 HE2 LYS 112 HE2 LYS 112 1.340 -18.426 -5.372 926 HE3 LYS 112 HE3 LYS 112 -0.378 -18.812 -5.287 927 HZ1 LYS 112 HZ1 LYS 112 1.327 -20.162 -3.901 928 HZ2 LYS 112 HZ2 LYS 112 1.585 -20.997 -5.349 929 HZ3 LYS 112 HZ3 LYS 112 0.042 -20.962 -4.657 930 H LEU 113 H LEU 113 0.950 -23.756 -6.613 931 HA LEU 113 HA LEU 113 -1.190 -25.505 -7.440 932 HB2 LEU 113 HB2 LEU 113 1.671 -26.259 -7.497 933 HB3 LEU 113 HB3 LEU 113 0.570 -27.435 -6.804 934 HG LEU 113 HG LEU 113 -0.131 -26.277 -9.455 935 HD11 LEU 113 HD11 LEU 113 1.248 -28.300 -10.371 936 HD12 LEU 113 HD12 LEU 113 2.201 -28.052 -8.908 937 HD13 LEU 113 HD13 LEU 113 2.029 -26.745 -10.080 938 HD21 LEU 113 HD21 LEU 113 -0.260 -29.157 -8.727 939 HD22 LEU 113 HD22 LEU 113 -1.361 -28.186 -9.705 940 HD23 LEU 113 HD23 LEU 113 -1.383 -28.043 -7.947 941 H SER 114 H SER 114 -2.083 -26.707 -5.751 942 HA SER 114 HA SER 114 -0.875 -26.750 -3.160 943 HB2 SER 114 HB2 SER 114 -1.845 -24.432 -3.308 944 HB3 SER 114 HB3 SER 114 -3.437 -25.175 -3.451 945 HG SER 114 HG SER 114 -2.877 -26.259 -1.406 946 H LEU 115 H LEU 115 -1.938 -28.142 -1.700 947 HA LEU 115 HA LEU 115 -3.239 -30.325 -2.827 948 HB2 LEU 115 HB2 LEU 115 -3.276 -29.445 0.057 949 HB3 LEU 115 HB3 LEU 115 -3.566 -31.057 -0.547 950 HG LEU 115 HG LEU 115 -0.940 -29.622 -0.859 951 HD11 LEU 115 HD11 LEU 115 -1.886 -31.536 1.259 952 HD12 LEU 115 HD12 LEU 115 -1.238 -29.910 1.473 953 HD13 LEU 115 HD13 LEU 115 -0.183 -31.215 0.933 954 HD21 LEU 115 HD21 LEU 115 -0.108 -31.541 -1.777 955 HD22 LEU 115 HD22 LEU 115 -1.771 -31.631 -2.356 956 HD23 LEU 115 HD23 LEU 115 -1.274 -32.574 -0.951 957 H GLU 116 H GLU 116 -4.601 -27.889 -0.598 958 HA GLU 116 HA GLU 116 -7.263 -28.514 -1.692 959 HB2 GLU 116 HB2 GLU 116 -6.301 -27.795 1.029 960 HB3 GLU 116 HB3 GLU 116 -7.883 -27.198 0.549 961 HG2 GLU 116 HG2 GLU 116 -8.799 -29.166 0.955 962 HG3 GLU 116 HG3 GLU 116 -7.672 -29.959 -0.145 Start of MODEL 5 1 H1 HIS 1 H1 HIS 1 4.625 -16.778 -4.937 2 H2 HIS 1 H2 HIS 1 6.248 -16.305 -4.642 3 H3 HIS 1 H3 HIS 1 4.953 -15.378 -4.004 4 HA HIS 1 HA HIS 1 4.284 -17.452 -2.799 5 HB2 HIS 1 HB2 HIS 1 6.023 -18.699 -4.326 6 HB3 HIS 1 HB3 HIS 1 7.177 -18.179 -3.103 7 HD1 HIS 1 HD1 HIS 1 4.887 -18.596 -0.788 8 HD2 HIS 1 HD2 HIS 1 6.364 -21.378 -3.498 9 HE1 HIS 1 HE1 HIS 1 4.456 -20.844 0.253 10 HE2 HIS 1 HE2 HIS 1 5.279 -22.514 -1.444 11 H SER 2 H SER 2 7.515 -15.943 -2.898 12 HA SER 2 HA SER 2 7.237 -15.286 -0.052 13 HB2 SER 2 HB2 SER 2 9.721 -15.068 -1.764 14 HB3 SER 2 HB3 SER 2 9.627 -14.996 -0.005 15 HG SER 2 HG SER 2 10.264 -17.052 -0.587 16 H VAL 3 H VAL 3 7.003 -13.245 0.635 17 HA VAL 3 HA VAL 3 6.672 -10.992 0.604 18 HB VAL 3 HB VAL 3 8.619 -10.909 -1.697 19 HG11 VAL 3 HG11 VAL 3 8.250 -8.878 0.482 20 HG12 VAL 3 HG12 VAL 3 7.275 -8.855 -0.987 21 HG13 VAL 3 HG13 VAL 3 9.027 -8.684 -1.090 22 HG21 VAL 3 HG21 VAL 3 9.053 -11.444 1.194 23 HG22 VAL 3 HG22 VAL 3 10.214 -10.415 0.355 24 HG23 VAL 3 HG23 VAL 3 9.920 -12.059 -0.213 25 HA PRO 4 HA PRO 4 3.516 -11.343 -2.728 26 HB2 PRO 4 HB2 PRO 4 2.179 -9.444 -0.887 27 HB3 PRO 4 HB3 PRO 4 1.557 -10.923 -1.624 28 HG2 PRO 4 HG2 PRO 4 2.194 -10.839 0.969 29 HG3 PRO 4 HG3 PRO 4 2.501 -12.286 -0.009 30 HD2 PRO 4 HD2 PRO 4 4.413 -10.183 0.921 31 HD3 PRO 4 HD3 PRO 4 4.643 -11.939 0.789 32 H GLU 5 H GLU 5 2.041 -9.281 -3.466 33 HA GLU 5 HA GLU 5 3.659 -6.875 -3.625 34 HB2 GLU 5 HB2 GLU 5 3.697 -8.802 -5.685 35 HB3 GLU 5 HB3 GLU 5 2.725 -7.461 -6.273 36 HG2 GLU 5 HG2 GLU 5 4.648 -5.965 -5.523 37 HG3 GLU 5 HG3 GLU 5 5.589 -7.450 -5.395 38 H SER 6 H SER 6 0.999 -8.103 -5.565 39 HA SER 6 HA SER 6 -0.519 -5.695 -5.175 40 HB2 SER 6 HB2 SER 6 -0.424 -7.483 -7.201 41 HB3 SER 6 HB3 SER 6 -1.855 -8.065 -6.351 42 HG SER 6 HG SER 6 -2.844 -6.509 -7.345 43 H ILE 7 H ILE 7 -2.892 -5.871 -4.552 44 HA ILE 7 HA ILE 7 -3.172 -7.712 -2.267 45 HB ILE 7 HB ILE 7 -2.867 -5.364 -1.555 46 HG12 ILE 7 HG12 ILE 7 -5.593 -6.576 -1.056 47 HG13 ILE 7 HG13 ILE 7 -4.127 -6.855 -0.122 48 HG21 ILE 7 HG21 ILE 7 -4.452 -3.664 -2.054 49 HG22 ILE 7 HG22 ILE 7 -5.521 -4.810 -2.861 50 HG23 ILE 7 HG23 ILE 7 -3.970 -4.389 -3.587 51 HD11 ILE 7 HD11 ILE 7 -4.145 -4.513 0.584 52 HD12 ILE 7 HD12 ILE 7 -5.622 -5.357 1.047 53 HD13 ILE 7 HD13 ILE 7 -5.630 -4.257 -0.332 54 H ARG 8 H ARG 8 -4.963 -8.930 -2.173 55 HA ARG 8 HA ARG 8 -7.100 -8.368 -4.123 56 HB2 ARG 8 HB2 ARG 8 -5.522 -10.527 -4.240 57 HB3 ARG 8 HB3 ARG 8 -6.719 -11.135 -3.105 58 HG2 ARG 8 HG2 ARG 8 -8.459 -10.944 -4.661 59 HG3 ARG 8 HG3 ARG 8 -7.509 -9.900 -5.721 60 HD2 ARG 8 HD2 ARG 8 -5.949 -12.126 -5.613 61 HD3 ARG 8 HD3 ARG 8 -7.562 -12.826 -5.499 62 HE ARG 8 HE ARG 8 -6.360 -11.700 -7.810 63 HH11 ARG 8 HH11 ARG 8 -9.424 -12.039 -6.176 64 HH12 ARG 8 HH12 ARG 8 -10.356 -11.911 -7.629 65 HH21 ARG 8 HH21 ARG 8 -7.583 -11.533 -9.724 66 HH22 ARG 8 HH22 ARG 8 -9.311 -11.625 -9.644 67 H PHE 9 H PHE 9 -7.967 -7.046 -2.330 68 HA PHE 9 HA PHE 9 -9.177 -8.627 -0.179 69 HB2 PHE 9 HB2 PHE 9 -9.624 -6.489 0.922 70 HB3 PHE 9 HB3 PHE 9 -7.921 -6.623 0.498 71 HD1 PHE 9 HD1 PHE 9 -7.097 -5.410 -1.560 72 HD2 PHE 9 HD2 PHE 9 -10.919 -4.696 0.170 73 HE1 PHE 9 HE1 PHE 9 -7.218 -3.250 -2.729 74 HE2 PHE 9 HE2 PHE 9 -11.046 -2.533 -0.997 75 HZ PHE 9 HZ PHE 9 -9.194 -1.808 -2.448 76 H GLY 10 H GLY 10 -10.973 -9.566 -1.006 77 HA2 GLY 10 HA2 GLY 10 -13.162 -9.713 -1.693 78 HA3 GLY 10 HA3 GLY 10 -13.293 -7.988 -1.381 79 HA PRO 11 HA PRO 11 -13.626 -8.244 -5.910 80 HB2 PRO 11 HB2 PRO 11 -15.495 -6.367 -6.233 81 HB3 PRO 11 HB3 PRO 11 -15.909 -7.969 -5.609 82 HG2 PRO 11 HG2 PRO 11 -15.547 -5.395 -4.134 83 HG3 PRO 11 HG3 PRO 11 -16.754 -6.669 -3.887 84 HD2 PRO 11 HD2 PRO 11 -14.432 -6.358 -2.398 85 HD3 PRO 11 HD3 PRO 11 -15.371 -7.858 -2.522 86 H ASN 12 H ASN 12 -11.930 -6.328 -4.022 87 HA ASN 12 HA ASN 12 -11.487 -4.266 -6.078 88 HB2 ASN 12 HB2 ASN 12 -11.396 -4.137 -3.084 89 HB3 ASN 12 HB3 ASN 12 -10.415 -3.028 -4.039 90 HD21 ASN 12 HD21 ASN 12 -13.666 -4.052 -3.281 91 HD22 ASN 12 HD22 ASN 12 -14.456 -2.624 -3.849 92 H VAL 13 H VAL 13 -9.666 -4.542 -7.164 93 HA VAL 13 HA VAL 13 -7.388 -5.833 -5.808 94 HB VAL 13 HB VAL 13 -7.870 -5.735 -8.787 95 HG11 VAL 13 HG11 VAL 13 -6.245 -7.820 -8.414 96 HG12 VAL 13 HG12 VAL 13 -5.760 -6.841 -7.029 97 HG13 VAL 13 HG13 VAL 13 -5.649 -6.179 -8.660 98 HG21 VAL 13 HG21 VAL 13 -8.393 -8.200 -8.474 99 HG22 VAL 13 HG22 VAL 13 -9.633 -7.059 -7.954 100 HG23 VAL 13 HG23 VAL 13 -8.593 -7.835 -6.760 101 H PHE 14 H PHE 14 -5.887 -4.389 -5.252 102 HA PHE 14 HA PHE 14 -5.542 -1.995 -6.914 103 HB2 PHE 14 HB2 PHE 14 -5.984 -1.625 -4.516 104 HB3 PHE 14 HB3 PHE 14 -4.544 -2.553 -4.113 105 HD1 PHE 14 HD1 PHE 14 -5.334 0.214 -6.494 106 HD2 PHE 14 HD2 PHE 14 -2.816 -1.245 -3.389 107 HE1 PHE 14 HE1 PHE 14 -3.979 2.263 -6.636 108 HE2 PHE 14 HE2 PHE 14 -1.457 0.802 -3.525 109 HZ PHE 14 HZ PHE 14 -2.038 2.559 -5.149 110 H TYR 15 H TYR 15 -4.082 -2.301 -8.463 111 HA TYR 15 HA TYR 15 -1.895 -4.124 -8.215 112 HB2 TYR 15 HB2 TYR 15 -2.445 -1.994 -10.291 113 HB3 TYR 15 HB3 TYR 15 -1.214 -3.244 -10.424 114 HD1 TYR 15 HD1 TYR 15 -2.277 -5.716 -9.921 115 HD2 TYR 15 HD2 TYR 15 -4.351 -2.362 -11.518 116 HE1 TYR 15 HE1 TYR 15 -3.922 -7.229 -10.945 117 HE2 TYR 15 HE2 TYR 15 -6.003 -3.866 -12.546 118 HH TYR 15 HH TYR 15 -6.336 -7.076 -11.713 119 H VAL 16 H VAL 16 -0.220 -3.705 -6.934 120 HA VAL 16 HA VAL 16 0.514 -1.174 -5.984 121 HB VAL 16 HB VAL 16 2.739 -2.330 -5.435 122 HG11 VAL 16 HG11 VAL 16 0.528 -3.924 -4.274 123 HG12 VAL 16 HG12 VAL 16 0.442 -2.172 -4.098 124 HG13 VAL 16 HG13 VAL 16 1.839 -3.053 -3.479 125 HG21 VAL 16 HG21 VAL 16 1.369 -4.914 -5.909 126 HG22 VAL 16 HG22 VAL 16 3.088 -4.521 -5.925 127 HG23 VAL 16 HG23 VAL 16 2.076 -4.108 -7.309 128 H LEU 17 H LEU 17 1.161 -2.682 -8.995 129 HA LEU 17 HA LEU 17 3.399 -0.866 -9.540 130 HB2 LEU 17 HB2 LEU 17 2.390 -3.102 -11.289 131 HB3 LEU 17 HB3 LEU 17 3.919 -2.252 -11.419 132 HG LEU 17 HG LEU 17 3.503 -3.603 -8.841 133 HD11 LEU 17 HD11 LEU 17 4.182 -5.398 -11.119 134 HD12 LEU 17 HD12 LEU 17 2.487 -5.087 -10.743 135 HD13 LEU 17 HD13 LEU 17 3.547 -5.792 -9.522 136 HD21 LEU 17 HD21 LEU 17 5.822 -4.243 -10.508 137 HD22 LEU 17 HD22 LEU 17 5.743 -3.649 -8.849 138 HD23 LEU 17 HD23 LEU 17 5.608 -2.520 -10.197 139 H LYS 18 H LYS 18 0.126 -1.637 -10.530 140 HA LYS 18 HA LYS 18 0.192 0.212 -12.756 141 HB2 LYS 18 HB2 LYS 18 -1.282 -2.023 -12.252 142 HB3 LYS 18 HB3 LYS 18 -2.425 -0.761 -11.812 143 HG2 LYS 18 HG2 LYS 18 -2.584 0.036 -13.949 144 HG3 LYS 18 HG3 LYS 18 -0.976 -0.535 -14.399 145 HD2 LYS 18 HD2 LYS 18 -1.778 -2.829 -14.435 146 HD3 LYS 18 HD3 LYS 18 -3.375 -2.298 -13.905 147 HE2 LYS 18 HE2 LYS 18 -3.920 -2.133 -16.057 148 HE3 LYS 18 HE3 LYS 18 -2.841 -0.740 -16.139 149 HZ1 LYS 18 HZ1 LYS 18 -2.465 -3.437 -17.141 150 HZ2 LYS 18 HZ2 LYS 18 -1.104 -2.737 -16.421 151 HZ3 LYS 18 HZ3 LYS 18 -1.859 -1.969 -17.725 152 H LEU 19 H LEU 19 -0.981 0.131 -9.454 153 HA LEU 19 HA LEU 19 -1.706 1.769 -8.054 154 HB2 LEU 19 HB2 LEU 19 -0.908 3.731 -10.200 155 HB3 LEU 19 HB3 LEU 19 -1.113 4.054 -8.489 156 HG LEU 19 HG LEU 19 0.929 2.038 -9.277 157 HD11 LEU 19 HD11 LEU 19 1.045 4.940 -9.918 158 HD12 LEU 19 HD12 LEU 19 1.703 3.560 -10.797 159 HD13 LEU 19 HD13 LEU 19 2.505 4.140 -9.338 160 HD21 LEU 19 HD21 LEU 19 2.078 2.923 -7.345 161 HD22 LEU 19 HD22 LEU 19 0.408 2.548 -6.920 162 HD23 LEU 19 HD23 LEU 19 0.893 4.221 -7.197 163 H THR 20 H THR 20 -3.706 0.563 -9.168 164 HA THR 20 HA THR 20 -5.699 2.624 -9.484 165 HB THR 20 HB THR 20 -5.603 0.569 -11.673 166 HG1 THR 20 HG1 THR 20 -3.703 1.575 -12.016 167 HG21 THR 20 HG21 THR 20 -7.667 1.794 -11.489 168 HG22 THR 20 HG22 THR 20 -6.799 2.298 -12.939 169 HG23 THR 20 HG23 THR 20 -6.793 3.326 -11.506 170 H VAL 21 H VAL 21 -7.003 1.933 -7.901 171 HA VAL 21 HA VAL 21 -7.369 -0.809 -7.233 172 HB VAL 21 HB VAL 21 -9.117 1.518 -6.423 173 HG11 VAL 21 HG11 VAL 21 -9.849 -0.928 -6.059 174 HG12 VAL 21 HG12 VAL 21 -9.922 0.186 -4.694 175 HG13 VAL 21 HG13 VAL 21 -8.589 -0.961 -4.826 176 HG21 VAL 21 HG21 VAL 21 -6.857 0.436 -4.781 177 HG22 VAL 21 HG22 VAL 21 -7.688 1.986 -4.649 178 HG23 VAL 21 HG23 VAL 21 -6.577 1.692 -5.986 179 H GLU 22 H GLU 22 -8.609 -2.248 -8.217 180 HA GLU 22 HA GLU 22 -10.518 -1.424 -10.221 181 HB2 GLU 22 HB2 GLU 22 -8.926 -3.689 -9.793 182 HB3 GLU 22 HB3 GLU 22 -10.580 -4.253 -9.597 183 HG2 GLU 22 HG2 GLU 22 -10.367 -4.549 -11.828 184 HG3 GLU 22 HG3 GLU 22 -10.920 -2.875 -11.831 185 H THR 23 H THR 23 -12.087 -0.355 -8.947 186 HA THR 23 HA THR 23 -13.432 -1.655 -6.797 187 HB THR 23 HB THR 23 -15.120 0.354 -7.822 188 HG1 THR 23 HG1 THR 23 -12.433 1.241 -7.831 189 HG21 THR 23 HG21 THR 23 -14.366 -0.170 -5.422 190 HG22 THR 23 HG22 THR 23 -14.686 1.506 -5.868 191 HG23 THR 23 HG23 THR 23 -13.025 0.921 -5.771 192 HA PRO 24 HA PRO 24 -16.551 -4.202 -8.546 193 HB2 PRO 24 HB2 PRO 24 -18.552 -2.341 -7.340 194 HB3 PRO 24 HB3 PRO 24 -18.453 -4.101 -7.238 195 HG2 PRO 24 HG2 PRO 24 -17.699 -2.583 -5.195 196 HG3 PRO 24 HG3 PRO 24 -16.790 -4.044 -5.628 197 HD2 PRO 24 HD2 PRO 24 -16.100 -1.183 -6.069 198 HD3 PRO 24 HD3 PRO 24 -15.046 -2.572 -5.760 199 H GLU 25 H GLU 25 -17.516 -0.768 -8.662 200 HA GLU 25 HA GLU 25 -18.946 -1.131 -11.132 201 HB2 GLU 25 HB2 GLU 25 -19.159 0.665 -9.107 202 HB3 GLU 25 HB3 GLU 25 -18.252 1.610 -10.279 203 HG2 GLU 25 HG2 GLU 25 -20.652 0.151 -11.232 204 HG3 GLU 25 HG3 GLU 25 -20.890 1.585 -10.233 205 H GLY 26 H GLY 26 -16.159 0.918 -10.234 206 HA2 GLY 26 HA2 GLY 26 -15.022 0.374 -12.893 207 HA3 GLY 26 HA3 GLY 26 -15.203 2.037 -12.355 208 H SER 27 H SER 27 -13.051 2.561 -12.306 209 HA SER 27 HA SER 27 -11.412 1.084 -10.351 210 HB2 SER 27 HB2 SER 27 -10.075 2.716 -12.452 211 HB3 SER 27 HB3 SER 27 -9.567 1.200 -11.709 212 HG SER 27 HG SER 27 -11.620 1.525 -13.643 213 H VAL 28 H VAL 28 -9.747 2.397 -9.263 214 HA VAL 28 HA VAL 28 -10.660 5.174 -8.872 215 HB VAL 28 HB VAL 28 -9.315 3.463 -6.782 216 HG11 VAL 28 HG11 VAL 28 -9.855 5.178 -5.251 217 HG12 VAL 28 HG12 VAL 28 -10.917 5.980 -6.408 218 HG13 VAL 28 HG13 VAL 28 -9.171 5.987 -6.661 219 HG21 VAL 28 HG21 VAL 28 -11.872 3.820 -5.902 220 HG22 VAL 28 HG22 VAL 28 -11.265 2.359 -6.682 221 HG23 VAL 28 HG23 VAL 28 -12.115 3.577 -7.632 222 H HIS 29 H HIS 29 -9.236 6.665 -9.458 223 HA HIS 29 HA HIS 29 -6.467 5.917 -9.934 224 HB2 HIS 29 HB2 HIS 29 -8.132 7.523 -11.326 225 HB3 HIS 29 HB3 HIS 29 -7.336 8.727 -10.317 226 HD1 HIS 29 HD1 HIS 29 -4.866 9.224 -10.792 227 HD2 HIS 29 HD2 HIS 29 -6.471 6.259 -13.221 228 HE1 HIS 29 HE1 HIS 29 -3.168 8.851 -12.609 229 HE2 HIS 29 HE2 HIS 29 -4.122 6.992 -14.016 230 H LEU 30 H LEU 30 -4.693 7.265 -9.147 231 HA LEU 30 HA LEU 30 -5.048 9.091 -7.002 232 HB2 LEU 30 HB2 LEU 30 -3.944 7.639 -5.262 233 HB3 LEU 30 HB3 LEU 30 -5.608 7.240 -5.648 234 HG LEU 30 HG LEU 30 -4.768 5.414 -7.133 235 HD11 LEU 30 HD11 LEU 30 -2.191 6.555 -6.263 236 HD12 LEU 30 HD12 LEU 30 -2.622 5.725 -7.758 237 HD13 LEU 30 HD13 LEU 30 -2.296 4.794 -6.297 238 HD21 LEU 30 HD21 LEU 30 -4.157 5.434 -4.197 239 HD22 LEU 30 HD22 LEU 30 -3.929 3.990 -5.184 240 HD23 LEU 30 HD23 LEU 30 -5.530 4.715 -5.038 241 H THR 31 H THR 31 -2.887 9.533 -5.882 242 HA THR 31 HA THR 31 -0.859 9.708 -7.943 243 HB THR 31 HB THR 31 -1.430 11.633 -6.443 244 HG1 THR 31 HG1 THR 31 1.197 10.634 -6.593 245 HG21 THR 31 HG21 THR 31 -1.067 9.788 -4.375 246 HG22 THR 31 HG22 THR 31 -1.380 11.519 -4.242 247 HG23 THR 31 HG23 THR 31 0.280 10.922 -4.267 248 HA PRO 32 HA PRO 32 1.289 6.093 -6.554 249 HB2 PRO 32 HB2 PRO 32 3.703 6.546 -7.716 250 HB3 PRO 32 HB3 PRO 32 2.279 6.019 -8.620 251 HG2 PRO 32 HG2 PRO 32 3.412 8.773 -8.310 252 HG3 PRO 32 HG3 PRO 32 2.795 7.976 -9.769 253 HD2 PRO 32 HD2 PRO 32 1.325 9.759 -8.371 254 HD3 PRO 32 HD3 PRO 32 0.591 8.378 -9.210 255 H SER 33 H SER 33 2.331 9.282 -5.764 256 HA SER 33 HA SER 33 4.525 8.464 -4.118 257 HB2 SER 33 HB2 SER 33 4.236 10.893 -3.220 258 HB3 SER 33 HB3 SER 33 4.773 10.665 -4.884 259 HG SER 33 HG SER 33 2.944 11.459 -5.592 260 H GLU 34 H GLU 34 1.170 9.268 -3.605 261 HA GLU 34 HA GLU 34 1.411 8.862 -0.749 262 HB2 GLU 34 HB2 GLU 34 -1.037 9.352 -2.456 263 HB3 GLU 34 HB3 GLU 34 -1.022 9.300 -0.699 264 HG2 GLU 34 HG2 GLU 34 0.274 11.277 -0.561 265 HG3 GLU 34 HG3 GLU 34 0.600 11.260 -2.294 266 H SER 35 H SER 35 0.087 7.282 -3.562 267 HA SER 35 HA SER 35 -0.905 5.034 -2.095 268 HB2 SER 35 HB2 SER 35 -1.785 4.356 -4.077 269 HB3 SER 35 HB3 SER 35 -1.377 5.987 -4.602 270 HG SER 35 HG SER 35 -0.507 3.756 -5.629 271 H GLY 36 H GLY 36 2.160 6.133 -3.039 272 HA2 GLY 36 HA2 GLY 36 3.442 3.621 -3.444 273 HA3 GLY 36 HA3 GLY 36 4.237 5.151 -3.118 274 H ILE 37 H ILE 37 2.760 5.627 -0.666 275 HA ILE 37 HA ILE 37 4.485 4.240 1.131 276 HB ILE 37 HB ILE 37 2.018 5.846 1.803 277 HG12 ILE 37 HG12 ILE 37 4.238 7.367 2.439 278 HG13 ILE 37 HG13 ILE 37 4.694 6.620 0.911 279 HG21 ILE 37 HG21 ILE 37 2.418 4.892 3.810 280 HG22 ILE 37 HG22 ILE 37 3.653 6.146 3.916 281 HG23 ILE 37 HG23 ILE 37 4.095 4.513 3.418 282 HD11 ILE 37 HD11 ILE 37 2.352 8.398 1.481 283 HD12 ILE 37 HD12 ILE 37 2.489 7.435 0.009 284 HD13 ILE 37 HD13 ILE 37 3.695 8.670 0.371 285 H LEU 38 H LEU 38 1.150 3.905 0.176 286 HA LEU 38 HA LEU 38 0.462 1.923 2.095 287 HB2 LEU 38 HB2 LEU 38 -1.313 3.157 1.103 288 HB3 LEU 38 HB3 LEU 38 -0.771 2.770 -0.518 289 HG LEU 38 HG LEU 38 -1.447 0.401 1.063 290 HD11 LEU 38 HD11 LEU 38 -3.934 1.570 0.195 291 HD12 LEU 38 HD12 LEU 38 -3.158 2.573 1.420 292 HD13 LEU 38 HD13 LEU 38 -3.501 0.878 1.757 293 HD21 LEU 38 HD21 LEU 38 -1.778 1.462 -1.678 294 HD22 LEU 38 HD22 LEU 38 -2.965 0.279 -1.130 295 HD23 LEU 38 HD23 LEU 38 -1.250 -0.129 -1.131 296 H LYS 39 H LYS 39 2.154 1.897 -0.889 297 HA LYS 39 HA LYS 39 1.748 -0.848 -1.530 298 HB2 LYS 39 HB2 LYS 39 2.396 0.816 -3.228 299 HB3 LYS 39 HB3 LYS 39 3.938 1.037 -2.413 300 HG2 LYS 39 HG2 LYS 39 3.348 -1.741 -3.107 301 HG3 LYS 39 HG3 LYS 39 3.484 -0.658 -4.494 302 HD2 LYS 39 HD2 LYS 39 5.676 0.049 -3.789 303 HD3 LYS 39 HD3 LYS 39 5.533 -0.874 -2.291 304 HE2 LYS 39 HE2 LYS 39 5.356 -2.944 -3.657 305 HE3 LYS 39 HE3 LYS 39 5.667 -1.973 -5.095 306 HZ1 LYS 39 HZ1 LYS 39 7.719 -1.257 -3.568 307 HZ2 LYS 39 HZ2 LYS 39 7.781 -2.550 -4.655 308 HZ3 LYS 39 HZ3 LYS 39 7.496 -2.840 -3.014 309 H ARG 40 H ARG 40 4.027 0.943 0.394 310 HA ARG 40 HA ARG 40 5.815 -1.287 0.736 311 HB2 ARG 40 HB2 ARG 40 5.634 1.363 2.176 312 HB3 ARG 40 HB3 ARG 40 6.902 0.175 2.446 313 HG2 ARG 40 HG2 ARG 40 8.008 0.743 0.582 314 HG3 ARG 40 HG3 ARG 40 6.527 0.940 -0.358 315 HD2 ARG 40 HD2 ARG 40 6.259 3.056 1.217 316 HD3 ARG 40 HD3 ARG 40 8.014 2.912 1.294 317 HE ARG 40 HE ARG 40 6.438 3.761 -0.955 318 HH11 ARG 40 HH11 ARG 40 9.481 2.378 0.046 319 HH12 ARG 40 HH12 ARG 40 10.326 2.894 -1.374 320 HH21 ARG 40 HH21 ARG 40 7.547 4.442 -2.823 321 HH22 ARG 40 HH22 ARG 40 9.229 4.067 -3.003 322 H LEU 41 H LEU 41 3.088 0.060 2.391 323 HA LEU 41 HA LEU 41 3.460 -1.487 4.784 324 HB2 LEU 41 HB2 LEU 41 1.326 0.313 3.723 325 HB3 LEU 41 HB3 LEU 41 0.930 -0.790 5.027 326 HG LEU 41 HG LEU 41 3.302 1.012 5.297 327 HD11 LEU 41 HD11 LEU 41 0.436 1.797 5.347 328 HD12 LEU 41 HD12 LEU 41 1.853 2.713 4.831 329 HD13 LEU 41 HD13 LEU 41 1.521 2.495 6.550 330 HD21 LEU 41 HD21 LEU 41 2.549 -0.917 6.883 331 HD22 LEU 41 HD22 LEU 41 1.358 0.261 7.434 332 HD23 LEU 41 HD23 LEU 41 3.079 0.625 7.557 333 H LEU 42 H LEU 42 1.942 -1.891 1.711 334 HA LEU 42 HA LEU 42 0.210 -4.024 2.413 335 HB2 LEU 42 HB2 LEU 42 0.562 -2.502 0.175 336 HB3 LEU 42 HB3 LEU 42 1.283 -4.021 -0.326 337 HG LEU 42 HG LEU 42 -1.449 -3.998 0.903 338 HD11 LEU 42 HD11 LEU 42 -1.244 -3.899 -2.043 339 HD12 LEU 42 HD12 LEU 42 -1.024 -2.379 -1.176 340 HD13 LEU 42 HD13 LEU 42 -2.511 -3.305 -0.970 341 HD21 LEU 42 HD21 LEU 42 -0.623 -5.755 -1.335 342 HD22 LEU 42 HD22 LEU 42 -1.636 -6.101 0.067 343 HD23 LEU 42 HD23 LEU 42 0.118 -6.042 0.239 344 H ILE 43 H ILE 43 3.581 -3.777 1.640 345 HA ILE 43 HA ILE 43 4.116 -6.460 0.995 346 HB ILE 43 HB ILE 43 5.979 -4.628 2.511 347 HG12 ILE 43 HG12 ILE 43 5.189 -3.412 0.576 348 HG13 ILE 43 HG13 ILE 43 6.828 -3.968 0.257 349 HG21 ILE 43 HG21 ILE 43 6.429 -7.003 0.714 350 HG22 ILE 43 HG22 ILE 43 6.785 -6.876 2.436 351 HG23 ILE 43 HG23 ILE 43 7.712 -5.929 1.272 352 HD11 ILE 43 HD11 ILE 43 5.594 -5.986 -0.861 353 HD12 ILE 43 HD12 ILE 43 5.802 -4.461 -1.721 354 HD13 ILE 43 HD13 ILE 43 4.258 -4.839 -0.956 355 H ASN 44 H ASN 44 3.562 -4.819 4.013 356 HA ASN 44 HA ASN 44 4.255 -7.196 5.561 357 HB2 ASN 44 HB2 ASN 44 3.544 -4.372 6.352 358 HB3 ASN 44 HB3 ASN 44 3.735 -5.671 7.524 359 HD21 ASN 44 HD21 ASN 44 5.563 -5.262 8.550 360 HD22 ASN 44 HD22 ASN 44 7.088 -4.943 7.804 361 H LYS 45 H LYS 45 1.567 -5.194 4.633 362 HA LYS 45 HA LYS 45 -0.686 -5.421 4.788 363 HB2 LYS 45 HB2 LYS 45 -0.159 -7.427 3.455 364 HB3 LYS 45 HB3 LYS 45 -0.001 -8.358 4.936 365 HG2 LYS 45 HG2 LYS 45 -2.154 -8.843 4.787 366 HG3 LYS 45 HG3 LYS 45 -2.510 -7.143 5.096 367 HD2 LYS 45 HD2 LYS 45 -1.778 -7.432 2.355 368 HD3 LYS 45 HD3 LYS 45 -2.995 -8.649 2.741 369 HE2 LYS 45 HE2 LYS 45 -4.216 -6.766 2.058 370 HE3 LYS 45 HE3 LYS 45 -4.314 -6.758 3.818 371 HZ1 LYS 45 HZ1 LYS 45 -2.781 -4.982 2.040 372 HZ2 LYS 45 HZ2 LYS 45 -2.265 -5.223 3.632 373 HZ3 LYS 45 HZ3 LYS 45 -3.800 -4.582 3.330 374 H GLY 46 H GLY 46 -1.014 -4.418 6.756 375 HA2 GLY 46 HA2 GLY 46 -1.849 -4.270 8.892 376 HA3 GLY 46 HA3 GLY 46 -2.263 -5.971 8.759 377 H GLN 47 H GLN 47 0.543 -3.848 9.268 378 HA GLN 47 HA GLN 47 1.431 -5.664 11.390 379 HB2 GLN 47 HB2 GLN 47 2.649 -6.036 9.151 380 HB3 GLN 47 HB3 GLN 47 3.404 -4.477 9.452 381 HG2 GLN 47 HG2 GLN 47 3.556 -6.256 11.743 382 HG3 GLN 47 HG3 GLN 47 4.319 -6.925 10.301 383 HE21 GLN 47 HE21 GLN 47 6.418 -6.605 10.430 384 HE22 GLN 47 HE22 GLN 47 7.198 -5.139 10.906 385 H LEU 48 H LEU 48 2.378 -4.665 13.130 386 HA LEU 48 HA LEU 48 1.861 -1.891 13.463 387 HB2 LEU 48 HB2 LEU 48 2.284 -4.033 15.147 388 HB3 LEU 48 HB3 LEU 48 3.728 -3.066 15.380 389 HG LEU 48 HG LEU 48 1.695 -1.195 15.511 390 HD11 LEU 48 HD11 LEU 48 -0.005 -2.917 15.575 391 HD12 LEU 48 HD12 LEU 48 0.104 -2.114 17.141 392 HD13 LEU 48 HD13 LEU 48 0.818 -3.711 16.918 393 HD21 LEU 48 HD21 LEU 48 2.636 -0.740 17.498 394 HD22 LEU 48 HD22 LEU 48 3.816 -1.959 17.019 395 HD23 LEU 48 HD23 LEU 48 2.473 -2.399 18.073 396 H CYS 49 H CYS 49 3.028 -0.791 11.889 397 HA CYS 49 HA CYS 49 5.947 -0.958 11.988 398 HB2 CYS 49 HB2 CYS 49 4.251 0.658 10.080 399 HB3 CYS 49 HB3 CYS 49 5.954 0.248 9.910 400 HG CYS 49 HG CYS 49 4.664 -2.335 9.889 401 H LEU 50 H LEU 50 7.086 1.230 11.710 402 HA LEU 50 HA LEU 50 5.962 3.081 13.701 403 HB2 LEU 50 HB2 LEU 50 8.771 2.374 12.924 404 HB3 LEU 50 HB3 LEU 50 8.428 3.896 13.725 405 HG LEU 50 HG LEU 50 9.148 2.242 15.343 406 HD11 LEU 50 HD11 LEU 50 7.169 3.920 15.726 407 HD12 LEU 50 HD12 LEU 50 7.579 2.714 16.945 408 HD13 LEU 50 HD13 LEU 50 6.221 2.439 15.854 409 HD21 LEU 50 HD21 LEU 50 8.407 0.261 14.045 410 HD22 LEU 50 HD22 LEU 50 6.747 0.618 14.518 411 HD23 LEU 50 HD23 LEU 50 7.943 0.202 15.745 412 H ARG 51 H ARG 51 5.373 5.062 13.096 413 HA ARG 51 HA ARG 51 5.322 5.869 10.420 414 HB2 ARG 51 HB2 ARG 51 4.574 8.039 11.254 415 HB3 ARG 51 HB3 ARG 51 3.766 6.728 12.102 416 HG2 ARG 51 HG2 ARG 51 5.488 7.008 13.925 417 HG3 ARG 51 HG3 ARG 51 5.975 8.495 13.108 418 HD2 ARG 51 HD2 ARG 51 4.214 9.618 13.898 419 HD3 ARG 51 HD3 ARG 51 3.097 8.321 13.476 420 HE ARG 51 HE ARG 51 4.116 8.891 16.046 421 HH11 ARG 51 HH11 ARG 51 3.326 6.203 13.966 422 HH12 ARG 51 HH12 ARG 51 3.006 5.120 15.278 423 HH21 ARG 51 HH21 ARG 51 3.699 7.466 17.773 424 HH22 ARG 51 HH22 ARG 51 3.218 5.836 17.438 425 H LYS 52 H LYS 52 7.679 6.380 12.917 426 HA LYS 52 HA LYS 52 9.131 8.351 11.378 427 HB2 LYS 52 HB2 LYS 52 9.059 8.490 13.847 428 HB3 LYS 52 HB3 LYS 52 9.898 6.949 13.948 429 HG2 LYS 52 HG2 LYS 52 11.908 7.845 13.363 430 HG3 LYS 52 HG3 LYS 52 11.180 9.126 12.394 431 HD2 LYS 52 HD2 LYS 52 10.440 10.242 14.458 432 HD3 LYS 52 HD3 LYS 52 11.224 8.977 15.407 433 HE2 LYS 52 HE2 LYS 52 13.189 9.864 13.647 434 HE3 LYS 52 HE3 LYS 52 12.358 11.331 14.165 435 HZ1 LYS 52 HZ1 LYS 52 13.777 11.169 15.883 436 HZ2 LYS 52 HZ2 LYS 52 14.021 9.506 15.690 437 HZ3 LYS 52 HZ3 LYS 52 12.642 10.071 16.491 438 H HIS 53 H HIS 53 9.096 4.950 11.748 439 HA HIS 53 HA HIS 53 11.748 4.657 10.569 440 HB2 HIS 53 HB2 HIS 53 10.707 3.135 12.422 441 HB3 HIS 53 HB3 HIS 53 9.848 2.391 11.080 442 HD1 HIS 53 HD1 HIS 53 12.900 2.129 12.945 443 HD2 HIS 53 HD2 HIS 53 11.779 1.433 9.005 444 HE1 HIS 53 HE1 HIS 53 14.695 0.652 11.987 445 HE2 HIS 53 HE2 HIS 53 14.047 0.327 9.574 446 H LEU 54 H LEU 54 8.453 4.814 9.709 447 HA LEU 54 HA LEU 54 8.647 3.391 7.246 448 HB2 LEU 54 HB2 LEU 54 6.586 4.480 8.807 449 HB3 LEU 54 HB3 LEU 54 6.533 5.356 7.289 450 HG LEU 54 HG LEU 54 6.797 2.609 6.644 451 HD11 LEU 54 HD11 LEU 54 5.111 3.125 9.009 452 HD12 LEU 54 HD12 LEU 54 5.924 1.649 8.490 453 HD13 LEU 54 HD13 LEU 54 4.400 2.126 7.742 454 HD21 LEU 54 HD21 LEU 54 4.890 2.984 5.366 455 HD22 LEU 54 HD22 LEU 54 5.619 4.586 5.487 456 HD23 LEU 54 HD23 LEU 54 4.240 4.165 6.503 457 H LEU 55 H LEU 55 9.334 6.618 8.317 458 HA LEU 55 HA LEU 55 9.247 7.739 5.677 459 HB2 LEU 55 HB2 LEU 55 9.836 9.773 6.608 460 HB3 LEU 55 HB3 LEU 55 8.907 8.995 7.860 461 HG LEU 55 HG LEU 55 11.529 10.137 7.989 462 HD11 LEU 55 HD11 LEU 55 10.444 10.715 9.836 463 HD12 LEU 55 HD12 LEU 55 10.917 9.142 10.477 464 HD13 LEU 55 HD13 LEU 55 9.339 9.345 9.720 465 HD21 LEU 55 HD21 LEU 55 12.470 8.238 9.459 466 HD22 LEU 55 HD22 LEU 55 12.677 8.143 7.714 467 HD23 LEU 55 HD23 LEU 55 11.419 7.193 8.508 468 H GLU 56 H GLU 56 11.440 5.725 7.244 469 HA GLU 56 HA GLU 56 13.766 6.751 5.836 470 HB2 GLU 56 HB2 GLU 56 13.270 4.828 8.008 471 HB3 GLU 56 HB3 GLU 56 14.567 4.372 6.913 472 HG2 GLU 56 HG2 GLU 56 15.839 6.246 7.440 473 HG3 GLU 56 HG3 GLU 56 14.457 7.110 8.114 474 H GLU 57 H GLU 57 11.282 4.436 5.363 475 HA GLU 57 HA GLU 57 12.807 2.898 3.438 476 HB2 GLU 57 HB2 GLU 57 10.586 1.713 3.096 477 HB3 GLU 57 HB3 GLU 57 11.299 1.575 4.697 478 HG2 GLU 57 HG2 GLU 57 9.778 3.157 5.602 479 HG3 GLU 57 HG3 GLU 57 9.192 3.600 4.000 480 H ILE 58 H ILE 58 10.306 5.326 3.497 481 HA ILE 58 HA ILE 58 9.948 5.258 0.629 482 HB ILE 58 HB ILE 58 8.994 7.470 2.438 483 HG12 ILE 58 HG12 ILE 58 7.664 4.806 1.889 484 HG13 ILE 58 HG13 ILE 58 8.244 5.381 3.447 485 HG21 ILE 58 HG21 ILE 58 8.917 7.285 -0.242 486 HG22 ILE 58 HG22 ILE 58 7.691 8.122 0.710 487 HG23 ILE 58 HG23 ILE 58 7.405 6.470 0.161 488 HD11 ILE 58 HD11 ILE 58 6.412 6.623 3.808 489 HD12 ILE 58 HD12 ILE 58 5.687 5.552 2.609 490 HD13 ILE 58 HD13 ILE 58 6.296 7.133 2.124 491 H LYS 59 H LYS 59 12.058 6.736 2.870 492 HA LYS 59 HA LYS 59 12.762 8.958 1.158 493 HB2 LYS 59 HB2 LYS 59 12.821 9.247 3.589 494 HB3 LYS 59 HB3 LYS 59 14.013 7.961 3.725 495 HG2 LYS 59 HG2 LYS 59 15.427 9.448 2.140 496 HG3 LYS 59 HG3 LYS 59 14.335 10.732 2.660 497 HD2 LYS 59 HD2 LYS 59 15.698 10.997 4.409 498 HD3 LYS 59 HD3 LYS 59 15.031 9.483 5.023 499 HE2 LYS 59 HE2 LYS 59 17.166 8.793 5.026 500 HE3 LYS 59 HE3 LYS 59 16.921 8.575 3.294 501 HZ1 LYS 59 HZ1 LYS 59 18.905 9.816 3.608 502 HZ2 LYS 59 HZ2 LYS 59 18.146 10.913 4.647 503 HZ3 LYS 59 HZ3 LYS 59 17.743 10.886 3.004 504 H ASN 60 H ASN 60 14.051 5.807 2.075 505 HA ASN 60 HA ASN 60 16.561 6.097 0.809 506 HB2 ASN 60 HB2 ASN 60 14.955 3.832 1.878 507 HB3 ASN 60 HB3 ASN 60 16.232 3.438 0.731 508 HD21 ASN 60 HD21 ASN 60 18.214 5.115 1.314 509 HD22 ASN 60 HD22 ASN 60 18.766 4.891 2.936 510 H HIS 61 H HIS 61 13.393 5.148 -0.302 511 HA HIS 61 HA HIS 61 14.374 4.353 -2.898 512 HB2 HIS 61 HB2 HIS 61 12.426 3.264 -1.586 513 HB3 HIS 61 HB3 HIS 61 11.476 4.628 -2.164 514 HD1 HIS 61 HD1 HIS 61 11.431 1.413 -2.945 515 HD2 HIS 61 HD2 HIS 61 12.580 4.659 -5.271 516 HE1 HIS 61 HE1 HIS 61 11.184 0.652 -5.328 517 HE2 HIS 61 HE2 HIS 61 11.791 2.665 -6.717 518 H ALA 62 H ALA 62 12.467 6.946 -1.443 519 HA ALA 62 HA ALA 62 13.278 8.841 -3.387 520 HB1 ALA 62 HB1 ALA 62 10.762 9.207 -4.112 521 HB2 ALA 62 HB2 ALA 62 10.670 7.475 -3.794 522 HB3 ALA 62 HB3 ALA 62 11.821 8.094 -4.978 523 H LYS 63 H LYS 63 13.726 10.170 -1.674 524 HA LYS 63 HA LYS 63 12.163 10.640 0.571 525 HB2 LYS 63 HB2 LYS 63 13.386 12.866 0.653 526 HB3 LYS 63 HB3 LYS 63 14.389 11.423 0.610 527 HG2 LYS 63 HG2 LYS 63 15.288 11.951 -1.374 528 HG3 LYS 63 HG3 LYS 63 13.761 12.554 -2.021 529 HD2 LYS 63 HD2 LYS 63 14.340 14.434 -0.133 530 HD3 LYS 63 HD3 LYS 63 15.952 13.990 -0.699 531 HE2 LYS 63 HE2 LYS 63 13.640 14.943 -2.384 532 HE3 LYS 63 HE3 LYS 63 15.111 15.839 -2.008 533 HZ1 LYS 63 HZ1 LYS 63 14.670 13.737 -3.954 534 HZ2 LYS 63 HZ2 LYS 63 16.121 13.621 -3.092 535 HZ3 LYS 63 HZ3 LYS 63 15.772 15.021 -3.975 536 H ALA 64 H ALA 64 9.992 10.813 0.016 537 HA ALA 64 HA ALA 64 8.053 11.789 -0.693 538 HB1 ALA 64 HB1 ALA 64 8.107 13.309 0.980 539 HB2 ALA 64 HB2 ALA 64 8.285 14.436 -0.365 540 HB3 ALA 64 HB3 ALA 64 9.706 13.907 0.535 541 H ILE 65 H ILE 65 8.656 11.085 -2.932 542 HA ILE 65 HA ILE 65 9.820 12.766 -4.826 543 HB ILE 65 HB ILE 65 9.359 10.404 -5.269 544 HG12 ILE 65 HG12 ILE 65 7.824 12.073 -7.262 545 HG13 ILE 65 HG13 ILE 65 9.578 12.137 -7.121 546 HG21 ILE 65 HG21 ILE 65 6.500 10.941 -5.858 547 HG22 ILE 65 HG22 ILE 65 6.972 10.719 -4.174 548 HG23 ILE 65 HG23 ILE 65 7.293 9.449 -5.354 549 HD11 ILE 65 HD11 ILE 65 9.755 10.376 -8.438 550 HD12 ILE 65 HD12 ILE 65 8.000 10.335 -8.604 551 HD13 ILE 65 HD13 ILE 65 8.786 9.415 -7.321 552 H VAL 66 H VAL 66 9.220 14.821 -5.115 553 HA VAL 66 HA VAL 66 7.961 16.674 -5.498 554 HB VAL 66 HB VAL 66 6.225 14.611 -6.845 555 HG11 VAL 66 HG11 VAL 66 5.917 17.541 -6.571 556 HG12 VAL 66 HG12 VAL 66 4.696 16.289 -6.798 557 HG13 VAL 66 HG13 VAL 66 5.638 16.861 -8.174 558 HG21 VAL 66 HG21 VAL 66 8.590 16.207 -7.649 559 HG22 VAL 66 HG22 VAL 66 7.337 15.927 -8.859 560 HG23 VAL 66 HG23 VAL 66 8.134 14.559 -8.081 561 H ALA 67 H ALA 67 7.661 16.534 -3.071 562 HA ALA 67 HA ALA 67 4.895 17.012 -2.471 563 HB1 ALA 67 HB1 ALA 67 5.956 15.016 -0.592 564 HB2 ALA 67 HB2 ALA 67 5.600 14.408 -2.209 565 HB3 ALA 67 HB3 ALA 67 4.336 15.196 -1.265 566 H ARG 68 H ARG 68 4.943 16.964 0.268 567 HA ARG 68 HA ARG 68 7.123 18.836 0.901 568 HB2 ARG 68 HB2 ARG 68 4.493 19.454 0.861 569 HB3 ARG 68 HB3 ARG 68 4.660 18.930 2.531 570 HG2 ARG 68 HG2 ARG 68 6.654 20.539 2.629 571 HG3 ARG 68 HG3 ARG 68 5.997 21.218 1.139 572 HD2 ARG 68 HD2 ARG 68 4.661 21.046 3.833 573 HD3 ARG 68 HD3 ARG 68 5.148 22.501 2.964 574 HE ARG 68 HE ARG 68 3.243 20.873 1.549 575 HH11 ARG 68 HH11 ARG 68 3.656 23.438 3.880 576 HH12 ARG 68 HH12 ARG 68 2.082 24.107 3.608 577 HH21 ARG 68 HH21 ARG 68 1.173 21.751 1.191 578 HH22 ARG 68 HH22 ARG 68 0.672 23.150 2.083 579 H ASN 69 H ASN 69 5.171 16.188 2.051 580 HA ASN 69 HA ASN 69 7.258 15.328 3.830 581 HB2 ASN 69 HB2 ASN 69 5.916 17.096 5.109 582 HB3 ASN 69 HB3 ASN 69 4.593 15.933 5.106 583 HD21 ASN 69 HD21 ASN 69 4.521 15.499 7.239 584 HD22 ASN 69 HD22 ASN 69 5.804 14.753 8.122 585 H VAL 70 H VAL 70 6.782 13.223 4.815 586 HA VAL 70 HA VAL 70 5.112 11.643 3.036 587 HB VAL 70 HB VAL 70 7.441 10.912 3.595 588 HG11 VAL 70 HG11 VAL 70 6.405 9.950 6.230 589 HG12 VAL 70 HG12 VAL 70 7.071 11.578 6.083 590 HG13 VAL 70 HG13 VAL 70 8.071 10.178 5.694 591 HG21 VAL 70 HG21 VAL 70 5.747 8.725 4.620 592 HG22 VAL 70 HG22 VAL 70 6.877 8.750 3.265 593 HG23 VAL 70 HG23 VAL 70 5.259 9.426 3.077 594 H ASP 71 H ASP 71 5.101 12.834 6.271 595 HA ASP 71 HA ASP 71 3.178 10.975 7.281 596 HB2 ASP 71 HB2 ASP 71 4.816 13.036 8.356 597 HB3 ASP 71 HB3 ASP 71 3.149 13.396 8.794 598 H VAL 72 H VAL 72 3.069 14.274 6.095 599 HA VAL 72 HA VAL 72 0.277 14.617 6.485 600 HB VAL 72 HB VAL 72 2.007 16.073 4.481 601 HG11 VAL 72 HG11 VAL 72 0.173 17.849 5.454 602 HG12 VAL 72 HG12 VAL 72 -0.753 16.349 5.410 603 HG13 VAL 72 HG13 VAL 72 0.018 16.952 3.943 604 HG21 VAL 72 HG21 VAL 72 3.179 16.778 6.252 605 HG22 VAL 72 HG22 VAL 72 1.995 16.149 7.398 606 HG23 VAL 72 HG23 VAL 72 1.751 17.731 6.656 607 H HIS 73 H HIS 73 2.217 13.164 4.031 608 HA HIS 73 HA HIS 73 0.253 13.159 1.972 609 HB2 HIS 73 HB2 HIS 73 2.950 12.213 2.318 610 HB3 HIS 73 HB3 HIS 73 1.964 10.938 1.610 611 HD1 HIS 73 HD1 HIS 73 1.164 14.478 0.775 612 HD2 HIS 73 HD2 HIS 73 3.258 11.288 -0.869 613 HE1 HIS 73 HE1 HIS 73 1.627 15.134 -1.608 614 HE2 HIS 73 HE2 HIS 73 2.968 13.224 -2.558 615 H ILE 74 H ILE 74 0.824 11.279 4.798 616 HA ILE 74 HA ILE 74 -0.501 8.906 4.070 617 HB ILE 74 HB ILE 74 -0.467 10.037 6.858 618 HG12 ILE 74 HG12 ILE 74 1.722 8.533 5.406 619 HG13 ILE 74 HG13 ILE 74 1.804 10.183 6.012 620 HG21 ILE 74 HG21 ILE 74 -0.356 7.621 7.455 621 HG22 ILE 74 HG22 ILE 74 -0.570 7.238 5.747 622 HG23 ILE 74 HG23 ILE 74 -1.840 8.090 6.625 623 HD11 ILE 74 HD11 ILE 74 1.219 8.015 7.945 624 HD12 ILE 74 HD12 ILE 74 2.098 9.527 8.167 625 HD13 ILE 74 HD13 ILE 74 2.863 8.176 7.329 626 H ALA 75 H ALA 75 -1.617 11.919 5.463 627 HA ALA 75 HA ALA 75 -4.292 11.054 5.873 628 HB1 ALA 75 HB1 ALA 75 -4.803 13.398 6.285 629 HB2 ALA 75 HB2 ALA 75 -3.235 13.867 5.629 630 HB3 ALA 75 HB3 ALA 75 -3.323 12.933 7.123 631 H SER 76 H SER 76 -2.546 12.464 3.238 632 HA SER 76 HA SER 76 -4.817 13.174 1.674 633 HB2 SER 76 HB2 SER 76 -2.387 14.017 1.428 634 HB3 SER 76 HB3 SER 76 -2.105 12.523 0.535 635 HG SER 76 HG SER 76 -3.339 13.224 -1.069 636 H LEU 77 H LEU 77 -3.101 10.258 2.300 637 HA LEU 77 HA LEU 77 -3.806 8.799 -0.002 638 HB2 LEU 77 HB2 LEU 77 -2.690 8.225 2.638 639 HB3 LEU 77 HB3 LEU 77 -3.656 6.916 1.987 640 HG LEU 77 HG LEU 77 -1.986 7.730 -0.116 641 HD11 LEU 77 HD11 LEU 77 -0.797 8.610 2.200 642 HD12 LEU 77 HD12 LEU 77 0.024 8.270 0.679 643 HD13 LEU 77 HD13 LEU 77 -0.046 7.037 1.937 644 HD21 LEU 77 HD21 LEU 77 -2.857 5.425 0.931 645 HD22 LEU 77 HD22 LEU 77 -1.197 5.407 1.528 646 HD23 LEU 77 HD23 LEU 77 -1.511 5.522 -0.204 647 H ARG 78 H ARG 78 -5.350 9.275 3.103 648 HA ARG 78 HA ARG 78 -7.413 7.431 2.883 649 HB2 ARG 78 HB2 ARG 78 -6.829 8.831 4.902 650 HB3 ARG 78 HB3 ARG 78 -7.677 10.165 4.131 651 HG2 ARG 78 HG2 ARG 78 -9.444 7.990 4.067 652 HG3 ARG 78 HG3 ARG 78 -8.723 7.993 5.678 653 HD2 ARG 78 HD2 ARG 78 -9.333 10.343 5.949 654 HD3 ARG 78 HD3 ARG 78 -10.043 10.350 4.335 655 HE ARG 78 HE ARG 78 -11.150 8.348 6.074 656 HH11 ARG 78 HH11 ARG 78 -11.346 11.684 5.070 657 HH12 ARG 78 HH12 ARG 78 -13.006 11.856 5.532 658 HH21 ARG 78 HH21 ARG 78 -13.334 8.572 6.682 659 HH22 ARG 78 HH22 ARG 78 -14.135 10.089 6.448 660 H LYS 79 H LYS 79 -7.035 10.588 1.493 661 HA LYS 79 HA LYS 79 -9.720 10.563 0.379 662 HB2 LYS 79 HB2 LYS 79 -8.606 12.643 1.337 663 HB3 LYS 79 HB3 LYS 79 -7.594 12.640 -0.101 664 HG2 LYS 79 HG2 LYS 79 -9.396 13.097 -1.514 665 HG3 LYS 79 HG3 LYS 79 -10.584 12.630 -0.295 666 HD2 LYS 79 HD2 LYS 79 -10.318 14.600 0.902 667 HD3 LYS 79 HD3 LYS 79 -8.726 14.920 0.212 668 HE2 LYS 79 HE2 LYS 79 -9.963 16.444 -0.953 669 HE3 LYS 79 HE3 LYS 79 -10.109 15.056 -2.031 670 HZ1 LYS 79 HZ1 LYS 79 -12.175 16.477 -1.020 671 HZ2 LYS 79 HZ2 LYS 79 -12.129 15.140 0.015 672 HZ3 LYS 79 HZ3 LYS 79 -12.288 14.912 -1.654 673 H LYS 80 H LYS 80 -6.435 10.053 -0.585 674 HA LYS 80 HA LYS 80 -6.787 10.265 -3.368 675 HB2 LYS 80 HB2 LYS 80 -4.648 9.836 -1.667 676 HB3 LYS 80 HB3 LYS 80 -4.753 8.343 -2.589 677 HG2 LYS 80 HG2 LYS 80 -3.241 9.854 -3.682 678 HG3 LYS 80 HG3 LYS 80 -4.688 9.661 -4.673 679 HD2 LYS 80 HD2 LYS 80 -5.496 11.784 -3.366 680 HD3 LYS 80 HD3 LYS 80 -3.770 12.018 -3.088 681 HE2 LYS 80 HE2 LYS 80 -3.810 11.471 -5.748 682 HE3 LYS 80 HE3 LYS 80 -5.349 12.309 -5.547 683 HZ1 LYS 80 HZ1 LYS 80 -3.265 13.684 -6.048 684 HZ2 LYS 80 HZ2 LYS 80 -2.864 13.434 -4.424 685 HZ3 LYS 80 HZ3 LYS 80 -4.302 14.229 -4.827 686 H LEU 81 H LEU 81 -6.348 7.317 -1.468 687 HA LEU 81 HA LEU 81 -7.718 5.822 -3.556 688 HB2 LEU 81 HB2 LEU 81 -6.956 3.882 -1.958 689 HB3 LEU 81 HB3 LEU 81 -5.865 4.591 -3.119 690 HG LEU 81 HG LEU 81 -5.961 5.448 -0.231 691 HD11 LEU 81 HD11 LEU 81 -5.434 3.109 -0.226 692 HD12 LEU 81 HD12 LEU 81 -3.947 4.015 0.043 693 HD13 LEU 81 HD13 LEU 81 -4.281 3.318 -1.541 694 HD21 LEU 81 HD21 LEU 81 -4.598 6.412 -2.529 695 HD22 LEU 81 HD22 LEU 81 -3.410 5.684 -1.448 696 HD23 LEU 81 HD23 LEU 81 -4.471 6.963 -0.859 697 H GLY 82 H GLY 82 -8.588 7.398 -0.799 698 HA2 GLY 82 HA2 GLY 82 -10.711 7.403 0.167 699 HA3 GLY 82 HA3 GLY 82 -11.043 5.864 -0.612 700 H ALA 83 H ALA 83 -11.660 4.555 0.988 701 HA ALA 83 HA ALA 83 -10.667 4.677 3.639 702 HB1 ALA 83 HB1 ALA 83 -12.273 3.176 4.121 703 HB2 ALA 83 HB2 ALA 83 -11.863 2.139 2.754 704 HB3 ALA 83 HB3 ALA 83 -12.851 3.578 2.504 705 H TYR 84 H TYR 84 -9.271 3.431 0.843 706 HA TYR 84 HA TYR 84 -7.871 1.238 2.077 707 HB2 TYR 84 HB2 TYR 84 -7.202 2.502 -0.575 708 HB3 TYR 84 HB3 TYR 84 -6.902 0.849 -0.051 709 HD1 TYR 84 HD1 TYR 84 -9.485 -0.005 0.980 710 HD2 TYR 84 HD2 TYR 84 -8.593 2.390 -2.420 711 HE1 TYR 84 HE1 TYR 84 -11.594 -0.715 -0.066 712 HE2 TYR 84 HE2 TYR 84 -10.699 1.688 -3.476 713 HH TYR 84 HH TYR 84 -13.188 0.258 -1.841 714 H GLY 85 H GLY 85 -7.295 4.601 1.296 715 HA2 GLY 85 HA2 GLY 85 -4.472 4.505 1.848 716 HA3 GLY 85 HA3 GLY 85 -5.443 5.954 1.629 717 H SER 86 H SER 86 -7.382 5.064 3.667 718 HA SER 86 HA SER 86 -6.182 6.295 5.921 719 HB2 SER 86 HB2 SER 86 -8.714 6.075 5.198 720 HB3 SER 86 HB3 SER 86 -8.646 4.619 6.190 721 HG SER 86 HG SER 86 -9.229 6.276 7.530 722 H ARG 87 H ARG 87 -6.012 3.142 4.710 723 HA ARG 87 HA ARG 87 -6.060 1.467 6.886 724 HB2 ARG 87 HB2 ARG 87 -4.975 1.393 4.260 725 HB3 ARG 87 HB3 ARG 87 -3.780 0.740 5.370 726 HG2 ARG 87 HG2 ARG 87 -5.027 -1.103 4.739 727 HG3 ARG 87 HG3 ARG 87 -5.693 -0.670 6.307 728 HD2 ARG 87 HD2 ARG 87 -7.679 -0.752 5.281 729 HD3 ARG 87 HD3 ARG 87 -7.230 0.809 4.596 730 HE ARG 87 HE ARG 87 -6.177 -0.850 2.805 731 HH11 ARG 87 HH11 ARG 87 -9.330 -0.863 4.311 732 HH12 ARG 87 HH12 ARG 87 -10.107 -1.611 2.958 733 HH21 ARG 87 HH21 ARG 87 -7.203 -1.832 1.028 734 HH22 ARG 87 HH22 ARG 87 -8.902 -2.161 1.095 735 H ILE 88 H ILE 88 -3.613 3.816 6.028 736 HA ILE 88 HA ILE 88 -1.619 2.916 7.849 737 HB ILE 88 HB ILE 88 -1.979 5.720 6.785 738 HG12 ILE 88 HG12 ILE 88 0.027 4.276 5.368 739 HG13 ILE 88 HG13 ILE 88 -1.436 3.297 5.366 740 HG21 ILE 88 HG21 ILE 88 -0.394 5.686 8.560 741 HG22 ILE 88 HG22 ILE 88 0.515 5.770 7.051 742 HG23 ILE 88 HG23 ILE 88 0.386 4.240 7.919 743 HD11 ILE 88 HD11 ILE 88 -2.293 4.557 3.771 744 HD12 ILE 88 HD12 ILE 88 -0.805 5.503 3.739 745 HD13 ILE 88 HD13 ILE 88 -2.137 5.992 4.785 746 H VAL 89 H VAL 89 -2.772 2.565 9.813 747 HA VAL 89 HA VAL 89 -4.166 4.696 11.117 748 HB VAL 89 HB VAL 89 -3.134 2.129 12.331 749 HG11 VAL 89 HG11 VAL 89 -5.142 2.545 13.853 750 HG12 VAL 89 HG12 VAL 89 -5.122 4.193 13.227 751 HG13 VAL 89 HG13 VAL 89 -3.721 3.561 14.092 752 HG21 VAL 89 HG21 VAL 89 -4.511 1.497 10.510 753 HG22 VAL 89 HG22 VAL 89 -5.697 2.748 10.881 754 HG23 VAL 89 HG23 VAL 89 -5.512 1.362 11.956 755 H THR 90 H THR 90 -3.576 5.614 13.184 756 HA THR 90 HA THR 90 -0.716 5.634 13.798 757 HB THR 90 HB THR 90 -1.027 7.522 12.293 758 HG1 THR 90 HG1 THR 90 -0.861 8.448 14.966 759 HG21 THR 90 HG21 THR 90 -3.529 7.811 13.537 760 HG22 THR 90 HG22 THR 90 -2.840 8.775 12.231 761 HG23 THR 90 HG23 THR 90 -2.598 9.262 13.908 762 H LEU 91 H LEU 91 -0.760 4.878 15.835 763 HA LEU 91 HA LEU 91 -2.665 6.125 17.709 764 HB2 LEU 91 HB2 LEU 91 -1.907 3.336 17.259 765 HB3 LEU 91 HB3 LEU 91 -1.818 3.814 18.944 766 HG LEU 91 HG LEU 91 -4.271 4.815 18.089 767 HD11 LEU 91 HD11 LEU 91 -4.105 1.966 17.166 768 HD12 LEU 91 HD12 LEU 91 -3.868 3.319 16.060 769 HD13 LEU 91 HD13 LEU 91 -5.399 3.137 16.916 770 HD21 LEU 91 HD21 LEU 91 -5.012 2.598 19.362 771 HD22 LEU 91 HD22 LEU 91 -4.311 3.982 20.201 772 HD23 LEU 91 HD23 LEU 91 -3.302 2.594 19.793 773 H ARG 92 H ARG 92 -1.696 7.531 18.996 774 HA ARG 92 HA ARG 92 1.120 7.600 19.391 775 HB2 ARG 92 HB2 ARG 92 -1.221 9.160 20.355 776 HB3 ARG 92 HB3 ARG 92 0.256 9.259 21.304 777 HG2 ARG 92 HG2 ARG 92 1.379 10.403 19.701 778 HG3 ARG 92 HG3 ARG 92 0.507 9.625 18.378 779 HD2 ARG 92 HD2 ARG 92 -1.483 11.025 19.609 780 HD3 ARG 92 HD3 ARG 92 -0.097 12.088 19.851 781 HE ARG 92 HE ARG 92 -0.355 11.145 17.152 782 HH11 ARG 92 HH11 ARG 92 -1.390 13.575 19.433 783 HH12 ARG 92 HH12 ARG 92 -1.782 14.736 18.209 784 HH21 ARG 92 HH21 ARG 92 -0.869 12.670 15.541 785 HH22 ARG 92 HH22 ARG 92 -1.487 14.222 15.999 786 H GLY 93 H GLY 93 1.363 5.372 20.169 787 HA2 GLY 93 HA2 GLY 93 2.018 5.162 22.813 788 HA3 GLY 93 HA3 GLY 93 0.335 4.661 22.755 789 H VAL 94 H VAL 94 0.640 3.514 20.057 790 HA VAL 94 HA VAL 94 2.152 1.097 20.807 791 HB VAL 94 HB VAL 94 -0.268 0.691 20.686 792 HG11 VAL 94 HG11 VAL 94 -1.597 1.143 18.870 793 HG12 VAL 94 HG12 VAL 94 -0.246 1.122 17.737 794 HG13 VAL 94 HG13 VAL 94 -0.479 2.503 18.806 795 HG21 VAL 94 HG21 VAL 94 -0.079 -1.334 19.639 796 HG22 VAL 94 HG22 VAL 94 1.626 -0.915 19.801 797 HG23 VAL 94 HG23 VAL 94 0.799 -0.664 18.264 798 H GLY 95 H GLY 95 1.168 3.147 18.071 799 HA2 GLY 95 HA2 GLY 95 3.240 3.731 16.694 800 HA3 GLY 95 HA3 GLY 95 3.384 1.990 16.510 801 H TYR 96 H TYR 96 3.291 2.464 14.214 802 HA TYR 96 HA TYR 96 0.735 3.362 13.167 803 HB2 TYR 96 HB2 TYR 96 3.460 3.136 12.173 804 HB3 TYR 96 HB3 TYR 96 2.293 2.493 11.024 805 HD1 TYR 96 HD1 TYR 96 1.453 5.237 13.323 806 HD2 TYR 96 HD2 TYR 96 2.692 4.209 9.385 807 HE1 TYR 96 HE1 TYR 96 0.945 7.522 12.573 808 HE2 TYR 96 HE2 TYR 96 2.187 6.489 8.625 809 HH TYR 96 HH TYR 96 0.382 8.440 9.721 810 H LEU 97 H LEU 97 -0.864 2.052 12.612 811 HA LEU 97 HA LEU 97 -0.257 -0.802 12.191 812 HB2 LEU 97 HB2 LEU 97 -1.581 -0.145 14.274 813 HB3 LEU 97 HB3 LEU 97 -2.887 0.274 13.181 814 HG LEU 97 HG LEU 97 -3.101 -1.986 14.208 815 HD11 LEU 97 HD11 LEU 97 -4.199 -2.737 12.399 816 HD12 LEU 97 HD12 LEU 97 -2.786 -2.597 11.352 817 HD13 LEU 97 HD13 LEU 97 -3.759 -1.171 11.716 818 HD21 LEU 97 HD21 LEU 97 -1.104 -3.123 12.368 819 HD22 LEU 97 HD22 LEU 97 -1.552 -3.609 14.003 820 HD23 LEU 97 HD23 LEU 97 -0.454 -2.251 13.756 821 H PHE 98 H PHE 98 -1.051 -1.783 10.401 822 HA PHE 98 HA PHE 98 -2.420 -0.057 8.465 823 HB2 PHE 98 HB2 PHE 98 -0.212 -1.320 7.966 824 HB3 PHE 98 HB3 PHE 98 -1.233 -2.747 7.833 825 HD1 PHE 98 HD1 PHE 98 -0.802 0.690 6.494 826 HD2 PHE 98 HD2 PHE 98 -2.310 -3.235 5.839 827 HE1 PHE 98 HE1 PHE 98 -1.305 1.277 4.158 828 HE2 PHE 98 HE2 PHE 98 -2.815 -2.656 3.503 829 HZ PHE 98 HZ PHE 98 -2.312 -0.398 2.660 830 H SER 99 H SER 99 -4.377 -0.450 9.859 831 HA SER 99 HA SER 99 -5.614 -2.965 10.026 832 HB2 SER 99 HB2 SER 99 -6.409 -1.248 11.466 833 HB3 SER 99 HB3 SER 99 -6.718 -0.157 10.115 834 HG SER 99 HG SER 99 -8.662 -1.040 10.738 835 H ASP 100 H ASP 100 -5.368 -3.923 7.955 836 HA ASP 100 HA ASP 100 -7.260 -2.903 5.949 837 HB2 ASP 100 HB2 ASP 100 -4.697 -2.905 5.438 838 HB3 ASP 100 HB3 ASP 100 -4.939 -4.629 5.185 839 H ASP 101 H ASP 101 -5.508 -5.919 6.439 840 HA ASP 101 HA ASP 101 -7.888 -7.400 6.992 841 HB2 ASP 101 HB2 ASP 101 -7.479 -7.013 4.342 842 HB3 ASP 101 HB3 ASP 101 -6.550 -8.488 4.592 843 H GLY 102 H GLY 102 -4.640 -7.930 5.613 844 HA2 GLY 102 HA2 GLY 102 -2.819 -8.893 6.767 845 HA3 GLY 102 HA3 GLY 102 -3.935 -9.483 7.989 846 H ASP 103 H ASP 103 -4.473 -9.911 4.558 847 HA ASP 103 HA ASP 103 -3.755 -12.727 4.809 848 HB2 ASP 103 HB2 ASP 103 -6.279 -12.206 4.935 849 HB3 ASP 103 HB3 ASP 103 -6.146 -11.849 3.216 850 H LYS 104 H LYS 104 -1.943 -12.753 3.584 851 HA LYS 104 HA LYS 104 -1.507 -11.215 1.284 852 HB2 LYS 104 HB2 LYS 104 0.281 -13.033 0.873 853 HB3 LYS 104 HB3 LYS 104 0.434 -12.010 2.287 854 HG2 LYS 104 HG2 LYS 104 -1.083 -14.479 2.723 855 HG3 LYS 104 HG3 LYS 104 0.610 -14.720 2.285 856 HD2 LYS 104 HD2 LYS 104 -0.116 -12.725 4.391 857 HD3 LYS 104 HD3 LYS 104 -0.062 -14.443 4.791 858 HE2 LYS 104 HE2 LYS 104 2.259 -13.532 3.274 859 HE3 LYS 104 HE3 LYS 104 2.073 -12.710 4.822 860 HZ1 LYS 104 HZ1 LYS 104 2.525 -14.576 5.967 861 HZ2 LYS 104 HZ2 LYS 104 3.298 -15.050 4.540 862 HZ3 LYS 104 HZ3 LYS 104 1.731 -15.593 4.872 863 H LYS 105 H LYS 105 -1.418 -11.851 -0.921 864 HA LYS 105 HA LYS 105 -3.651 -13.339 -1.788 865 HB2 LYS 105 HB2 LYS 105 -2.666 -13.047 -4.061 866 HB3 LYS 105 HB3 LYS 105 -2.822 -11.549 -3.154 867 HG2 LYS 105 HG2 LYS 105 -0.635 -11.159 -3.235 868 HG3 LYS 105 HG3 LYS 105 -0.242 -12.808 -2.746 869 HD2 LYS 105 HD2 LYS 105 -0.155 -13.573 -4.921 870 HD3 LYS 105 HD3 LYS 105 -1.209 -12.292 -5.524 871 HE2 LYS 105 HE2 LYS 105 1.381 -11.447 -4.375 872 HE3 LYS 105 HE3 LYS 105 1.447 -12.321 -5.905 873 HZ1 LYS 105 HZ1 LYS 105 -0.170 -10.697 -6.792 874 HZ2 LYS 105 HZ2 LYS 105 1.301 -9.992 -6.347 875 HZ3 LYS 105 HZ3 LYS 105 -0.053 -9.820 -5.349 876 H PHE 106 H PHE 106 -3.872 -15.470 -1.826 877 HA PHE 106 HA PHE 106 -1.714 -17.256 -1.452 878 HB2 PHE 106 HB2 PHE 106 -3.650 -18.915 -2.260 879 HB3 PHE 106 HB3 PHE 106 -3.598 -18.248 -0.637 880 HD1 PHE 106 HD1 PHE 106 -5.186 -17.976 -3.950 881 HD2 PHE 106 HD2 PHE 106 -5.267 -16.745 0.122 882 HE1 PHE 106 HE1 PHE 106 -7.428 -17.020 -4.288 883 HE2 PHE 106 HE2 PHE 106 -7.509 -15.788 -0.208 884 HZ PHE 106 HZ PHE 106 -8.592 -15.924 -2.415 885 H SER 107 H SER 107 -1.767 -19.311 -3.044 886 HA SER 107 HA SER 107 -1.866 -18.515 -5.815 887 HB2 SER 107 HB2 SER 107 0.393 -17.819 -5.103 888 HB3 SER 107 HB3 SER 107 0.720 -19.467 -4.567 889 HG SER 107 HG SER 107 1.486 -18.895 -6.729 890 H GLN 108 H GLN 108 -3.560 -20.128 -5.703 891 HA GLN 108 HA GLN 108 -2.971 -22.833 -5.064 892 HB2 GLN 108 HB2 GLN 108 -5.277 -21.313 -5.640 893 HB3 GLN 108 HB3 GLN 108 -5.227 -22.604 -6.831 894 HG2 GLN 108 HG2 GLN 108 -4.697 -23.419 -4.056 895 HG3 GLN 108 HG3 GLN 108 -6.327 -22.835 -4.386 896 HE21 GLN 108 HE21 GLN 108 -4.206 -25.444 -4.576 897 HE22 GLN 108 HE22 GLN 108 -5.191 -26.501 -5.522 898 H GLN 109 H GLN 109 -3.848 -21.373 -8.199 899 HA GLN 109 HA GLN 109 -3.103 -23.560 -9.767 900 HB2 GLN 109 HB2 GLN 109 -4.514 -21.674 -10.543 901 HB3 GLN 109 HB3 GLN 109 -3.090 -20.644 -10.564 902 HG2 GLN 109 HG2 GLN 109 -2.447 -21.405 -12.548 903 HG3 GLN 109 HG3 GLN 109 -2.695 -23.085 -12.075 904 HE21 GLN 109 HE21 GLN 109 -4.009 -20.341 -13.679 905 HE22 GLN 109 HE22 GLN 109 -5.428 -21.107 -14.297 906 H ASP 110 H ASP 110 -1.197 -24.385 -10.290 907 HA ASP 110 HA ASP 110 1.193 -22.689 -9.989 908 HB2 ASP 110 HB2 ASP 110 1.008 -24.564 -8.348 909 HB3 ASP 110 HB3 ASP 110 1.055 -25.694 -9.697 910 H THR 111 H THR 111 -0.652 -24.625 -12.124 911 HA THR 111 HA THR 111 1.319 -25.461 -13.936 912 HB THR 111 HB THR 111 -1.480 -24.687 -14.734 913 HG1 THR 111 HG1 THR 111 -0.687 -27.101 -13.479 914 HG21 THR 111 HG21 THR 111 -1.123 -26.993 -15.934 915 HG22 THR 111 HG22 THR 111 0.578 -26.549 -15.782 916 HG23 THR 111 HG23 THR 111 -0.538 -25.488 -16.643 917 H LYS 112 H LYS 112 1.965 -24.604 -15.948 918 HA LYS 112 HA LYS 112 2.479 -21.825 -15.933 919 HB2 LYS 112 HB2 LYS 112 3.524 -22.189 -18.100 920 HB3 LYS 112 HB3 LYS 112 3.986 -23.464 -16.981 921 HG2 LYS 112 HG2 LYS 112 1.996 -24.753 -18.055 922 HG3 LYS 112 HG3 LYS 112 2.205 -23.594 -19.369 923 HD2 LYS 112 HD2 LYS 112 3.529 -25.444 -19.966 924 HD3 LYS 112 HD3 LYS 112 4.666 -24.248 -19.341 925 HE2 LYS 112 HE2 LYS 112 5.339 -25.633 -17.737 926 HE3 LYS 112 HE3 LYS 112 3.680 -25.915 -17.211 927 HZ1 LYS 112 HZ1 LYS 112 4.253 -28.000 -17.864 928 HZ2 LYS 112 HZ2 LYS 112 5.338 -27.473 -19.050 929 HZ3 LYS 112 HZ3 LYS 112 3.673 -27.422 -19.345 930 H LEU 113 H LEU 113 2.025 -20.496 -18.002 931 HA LEU 113 HA LEU 113 -0.555 -21.005 -19.185 932 HB2 LEU 113 HB2 LEU 113 -0.054 -18.895 -17.166 933 HB3 LEU 113 HB3 LEU 113 -1.023 -18.444 -18.556 934 HG LEU 113 HG LEU 113 -2.228 -20.774 -17.813 935 HD11 LEU 113 HD11 LEU 113 -1.211 -19.432 -15.317 936 HD12 LEU 113 HD12 LEU 113 -0.937 -21.096 -15.832 937 HD13 LEU 113 HD13 LEU 113 -2.551 -20.578 -15.348 938 HD21 LEU 113 HD21 LEU 113 -2.812 -18.003 -17.837 939 HD22 LEU 113 HD22 LEU 113 -3.429 -18.664 -16.324 940 HD23 LEU 113 HD23 LEU 113 -3.936 -19.361 -17.862 941 H SER 114 H SER 114 -1.056 -19.517 -20.950 942 HA SER 114 HA SER 114 1.141 -19.092 -22.636 943 HB2 SER 114 HB2 SER 114 -0.982 -17.379 -23.461 944 HB3 SER 114 HB3 SER 114 -0.527 -18.949 -24.124 945 HG SER 114 HG SER 114 -2.571 -18.278 -22.389 946 H LEU 115 H LEU 115 2.570 -17.486 -22.796 947 HA LEU 115 HA LEU 115 2.638 -15.368 -20.952 948 HB2 LEU 115 HB2 LEU 115 4.164 -15.331 -23.525 949 HB3 LEU 115 HB3 LEU 115 4.652 -14.781 -21.941 950 HG LEU 115 HG LEU 115 4.340 -17.676 -22.712 951 HD11 LEU 115 HD11 LEU 115 6.181 -16.921 -23.925 952 HD12 LEU 115 HD12 LEU 115 6.870 -17.615 -22.458 953 HD13 LEU 115 HD13 LEU 115 6.723 -15.865 -22.621 954 HD21 LEU 115 HD21 LEU 115 4.519 -18.145 -20.552 955 HD22 LEU 115 HD22 LEU 115 4.440 -16.422 -20.187 956 HD23 LEU 115 HD23 LEU 115 6.003 -17.199 -20.440 957 H GLU 116 H GLU 116 1.963 -15.442 -24.445 958 HA GLU 116 HA GLU 116 0.852 -14.007 -25.815 959 HB2 GLU 116 HB2 GLU 116 -0.406 -13.509 -23.162 960 HB3 GLU 116 HB3 GLU 116 -0.743 -12.363 -24.452 961 HG2 GLU 116 HG2 GLU 116 -1.451 -14.299 -25.868 962 HG3 GLU 116 HG3 GLU 116 -1.305 -15.315 -24.435 Start of MODEL 6 1 H1 HIS 1 H1 HIS 1 3.086 -15.063 -1.424 2 H2 HIS 1 H2 HIS 1 1.782 -16.156 -1.198 3 H3 HIS 1 H3 HIS 1 3.322 -16.503 -0.525 4 HA HIS 1 HA HIS 1 1.805 -14.101 0.192 5 HB2 HIS 1 HB2 HIS 1 1.397 -16.934 0.961 6 HB3 HIS 1 HB3 HIS 1 1.409 -15.773 2.284 7 HD1 HIS 1 HD1 HIS 1 -0.798 -14.791 2.791 8 HD2 HIS 1 HD2 HIS 1 -0.545 -16.055 -1.159 9 HE1 HIS 1 HE1 HIS 1 -3.076 -14.381 1.807 10 HE2 HIS 1 HE2 HIS 1 -2.872 -15.070 -0.608 11 H SER 2 H SER 2 4.655 -14.644 -0.276 12 HA SER 2 HA SER 2 5.633 -14.222 2.472 13 HB2 SER 2 HB2 SER 2 6.316 -16.366 0.961 14 HB3 SER 2 HB3 SER 2 7.568 -15.226 0.471 15 HG SER 2 HG SER 2 7.853 -14.908 2.834 16 H VAL 3 H VAL 3 6.288 -13.581 -0.962 17 HA VAL 3 HA VAL 3 7.554 -11.041 -0.160 18 HB VAL 3 HB VAL 3 8.678 -11.130 -2.415 19 HG11 VAL 3 HG11 VAL 3 10.494 -12.070 -1.468 20 HG12 VAL 3 HG12 VAL 3 9.633 -13.545 -1.027 21 HG13 VAL 3 HG13 VAL 3 9.477 -12.100 -0.028 22 HG21 VAL 3 HG21 VAL 3 8.442 -12.858 -3.838 23 HG22 VAL 3 HG22 VAL 3 6.931 -13.127 -2.970 24 HG23 VAL 3 HG23 VAL 3 8.371 -14.051 -2.541 25 HA PRO 4 HA PRO 4 3.525 -9.880 -2.150 26 HB2 PRO 4 HB2 PRO 4 4.307 -7.380 -0.744 27 HB3 PRO 4 HB3 PRO 4 2.742 -8.194 -0.799 28 HG2 PRO 4 HG2 PRO 4 4.270 -8.320 1.383 29 HG3 PRO 4 HG3 PRO 4 3.323 -9.719 0.844 30 HD2 PRO 4 HD2 PRO 4 6.253 -9.206 0.608 31 HD3 PRO 4 HD3 PRO 4 5.392 -10.732 0.888 32 H GLU 5 H GLU 5 3.545 -9.215 -4.196 33 HA GLU 5 HA GLU 5 5.547 -7.211 -5.001 34 HB2 GLU 5 HB2 GLU 5 4.943 -9.846 -6.083 35 HB3 GLU 5 HB3 GLU 5 4.881 -8.587 -7.306 36 HG2 GLU 5 HG2 GLU 5 7.156 -7.857 -6.359 37 HG3 GLU 5 HG3 GLU 5 7.181 -9.452 -5.610 38 H SER 6 H SER 6 2.291 -8.347 -5.241 39 HA SER 6 HA SER 6 1.568 -5.957 -6.797 40 HB2 SER 6 HB2 SER 6 -0.585 -7.371 -7.231 41 HB3 SER 6 HB3 SER 6 0.881 -7.741 -8.138 42 HG SER 6 HG SER 6 0.880 -9.638 -7.258 43 H ILE 7 H ILE 7 -0.762 -5.253 -6.337 44 HA ILE 7 HA ILE 7 -1.369 -5.539 -3.472 45 HB ILE 7 HB ILE 7 -1.720 -2.922 -4.912 46 HG12 ILE 7 HG12 ILE 7 0.687 -3.848 -3.327 47 HG13 ILE 7 HG13 ILE 7 0.655 -3.454 -5.042 48 HG21 ILE 7 HG21 ILE 7 -1.180 -2.710 -2.122 49 HG22 ILE 7 HG22 ILE 7 -2.442 -3.917 -2.366 50 HG23 ILE 7 HG23 ILE 7 -2.648 -2.285 -3.002 51 HD11 ILE 7 HD11 ILE 7 0.857 -1.266 -4.657 52 HD12 ILE 7 HD12 ILE 7 1.408 -1.763 -3.058 53 HD13 ILE 7 HD13 ILE 7 -0.274 -1.297 -3.305 54 H ARG 8 H ARG 8 -2.838 -7.153 -4.561 55 HA ARG 8 HA ARG 8 -5.200 -5.909 -5.755 56 HB2 ARG 8 HB2 ARG 8 -4.497 -8.837 -5.513 57 HB3 ARG 8 HB3 ARG 8 -5.852 -8.168 -6.410 58 HG2 ARG 8 HG2 ARG 8 -4.585 -7.922 -8.205 59 HG3 ARG 8 HG3 ARG 8 -3.450 -6.917 -7.303 60 HD2 ARG 8 HD2 ARG 8 -2.381 -9.006 -6.461 61 HD3 ARG 8 HD3 ARG 8 -3.437 -9.922 -7.536 62 HE ARG 8 HE ARG 8 -1.913 -7.886 -8.874 63 HH11 ARG 8 HH11 ARG 8 -1.904 -11.188 -7.743 64 HH12 ARG 8 HH12 ARG 8 -0.698 -11.704 -8.873 65 HH21 ARG 8 HH21 ARG 8 -0.326 -8.563 -10.361 66 HH22 ARG 8 HH22 ARG 8 0.198 -10.213 -10.359 67 H PHE 9 H PHE 9 -7.181 -5.940 -4.818 68 HA PHE 9 HA PHE 9 -7.686 -7.540 -2.458 69 HB2 PHE 9 HB2 PHE 9 -8.426 -5.462 -1.176 70 HB3 PHE 9 HB3 PHE 9 -6.690 -5.713 -1.328 71 HD1 PHE 9 HD1 PHE 9 -5.471 -4.446 -3.174 72 HD2 PHE 9 HD2 PHE 9 -9.404 -3.473 -1.873 73 HE1 PHE 9 HE1 PHE 9 -5.231 -2.197 -4.144 74 HE2 PHE 9 HE2 PHE 9 -9.171 -1.223 -2.840 75 HZ PHE 9 HZ PHE 9 -7.083 -0.582 -3.978 76 H GLY 10 H GLY 10 -9.506 -8.474 -3.190 77 HA2 GLY 10 HA2 GLY 10 -11.729 -8.671 -3.748 78 HA3 GLY 10 HA3 GLY 10 -11.904 -6.965 -3.365 79 HA PRO 11 HA PRO 11 -12.489 -7.140 -7.890 80 HB2 PRO 11 HB2 PRO 11 -14.506 -5.394 -8.047 81 HB3 PRO 11 HB3 PRO 11 -14.769 -7.049 -7.482 82 HG2 PRO 11 HG2 PRO 11 -14.514 -4.525 -5.900 83 HG3 PRO 11 HG3 PRO 11 -15.630 -5.882 -5.670 84 HD2 PRO 11 HD2 PRO 11 -13.296 -5.509 -4.240 85 HD3 PRO 11 HD3 PRO 11 -14.110 -7.071 -4.453 86 H ASN 12 H ASN 12 -10.359 -5.702 -6.728 87 HA ASN 12 HA ASN 12 -10.034 -3.608 -8.617 88 HB2 ASN 12 HB2 ASN 12 -10.800 -2.907 -5.818 89 HB3 ASN 12 HB3 ASN 12 -9.574 -1.922 -6.609 90 HD21 ASN 12 HD21 ASN 12 -12.863 -2.489 -6.217 91 HD22 ASN 12 HD22 ASN 12 -13.450 -1.436 -7.455 92 H VAL 13 H VAL 13 -8.085 -4.469 -9.168 93 HA VAL 13 HA VAL 13 -6.164 -5.139 -7.102 94 HB VAL 13 HB VAL 13 -4.783 -6.049 -8.830 95 HG11 VAL 13 HG11 VAL 13 -6.548 -7.511 -8.202 96 HG12 VAL 13 HG12 VAL 13 -6.400 -7.606 -9.957 97 HG13 VAL 13 HG13 VAL 13 -7.703 -6.664 -9.232 98 HG21 VAL 13 HG21 VAL 13 -4.668 -5.105 -10.836 99 HG22 VAL 13 HG22 VAL 13 -6.079 -4.111 -10.476 100 HG23 VAL 13 HG23 VAL 13 -6.286 -5.705 -11.200 101 H PHE 14 H PHE 14 -3.906 -4.360 -7.279 102 HA PHE 14 HA PHE 14 -3.522 -1.803 -8.588 103 HB2 PHE 14 HB2 PHE 14 -4.585 -1.157 -6.474 104 HB3 PHE 14 HB3 PHE 14 -3.367 -2.057 -5.577 105 HD1 PHE 14 HD1 PHE 14 -3.639 0.678 -8.095 106 HD2 PHE 14 HD2 PHE 14 -1.541 -0.929 -4.761 107 HE1 PHE 14 HE1 PHE 14 -2.219 2.685 -8.027 108 HE2 PHE 14 HE2 PHE 14 -0.116 1.076 -4.686 109 HZ PHE 14 HZ PHE 14 -0.453 2.886 -6.322 110 H TYR 15 H TYR 15 -1.349 -1.200 -8.778 111 HA TYR 15 HA TYR 15 0.551 -3.361 -8.150 112 HB2 TYR 15 HB2 TYR 15 0.802 -1.191 -10.244 113 HB3 TYR 15 HB3 TYR 15 1.878 -2.566 -10.025 114 HD1 TYR 15 HD1 TYR 15 -1.403 -1.477 -11.242 115 HD2 TYR 15 HD2 TYR 15 1.240 -4.778 -10.780 116 HE1 TYR 15 HE1 TYR 15 -2.777 -2.788 -12.804 117 HE2 TYR 15 HE2 TYR 15 -0.126 -6.099 -12.340 118 HH TYR 15 HH TYR 15 -1.729 -5.755 -14.130 119 H VAL 16 H VAL 16 2.828 -2.622 -7.788 120 HA VAL 16 HA VAL 16 2.800 -0.357 -5.931 121 HB VAL 16 HB VAL 16 5.111 -1.288 -5.309 122 HG11 VAL 16 HG11 VAL 16 3.218 -1.509 -3.844 123 HG12 VAL 16 HG12 VAL 16 4.096 -3.038 -3.874 124 HG13 VAL 16 HG13 VAL 16 2.596 -2.864 -4.785 125 HG21 VAL 16 HG21 VAL 16 4.044 -3.769 -6.635 126 HG22 VAL 16 HG22 VAL 16 5.617 -3.536 -5.874 127 HG23 VAL 16 HG23 VAL 16 5.237 -2.710 -7.386 128 H LEU 17 H LEU 17 4.127 -1.360 -8.973 129 HA LEU 17 HA LEU 17 5.967 0.927 -8.985 130 HB2 LEU 17 HB2 LEU 17 5.766 -1.479 -10.792 131 HB3 LEU 17 HB3 LEU 17 6.873 -0.146 -11.060 132 HG LEU 17 HG LEU 17 6.992 -1.493 -8.415 133 HD11 LEU 17 HD11 LEU 17 8.597 -2.752 -10.544 134 HD12 LEU 17 HD12 LEU 17 6.879 -3.149 -10.524 135 HD13 LEU 17 HD13 LEU 17 7.871 -3.454 -9.099 136 HD21 LEU 17 HD21 LEU 17 8.964 -0.272 -10.332 137 HD22 LEU 17 HD22 LEU 17 9.441 -1.126 -8.864 138 HD23 LEU 17 HD23 LEU 17 8.462 0.337 -8.755 139 H LYS 18 H LYS 18 3.176 -0.430 -10.621 140 HA LYS 18 HA LYS 18 3.175 1.534 -12.718 141 HB2 LYS 18 HB2 LYS 18 0.830 -0.179 -11.927 142 HB3 LYS 18 HB3 LYS 18 1.209 0.489 -13.508 143 HG2 LYS 18 HG2 LYS 18 3.385 -1.031 -13.138 144 HG3 LYS 18 HG3 LYS 18 2.213 -1.947 -12.188 145 HD2 LYS 18 HD2 LYS 18 1.179 -2.701 -14.019 146 HD3 LYS 18 HD3 LYS 18 1.130 -1.093 -14.745 147 HE2 LYS 18 HE2 LYS 18 3.701 -1.564 -15.110 148 HE3 LYS 18 HE3 LYS 18 3.172 -3.243 -15.009 149 HZ1 LYS 18 HZ1 LYS 18 2.653 -1.254 -17.070 150 HZ2 LYS 18 HZ2 LYS 18 1.376 -2.301 -16.703 151 HZ3 LYS 18 HZ3 LYS 18 2.864 -2.927 -17.207 152 H LEU 19 H LEU 19 1.660 1.175 -9.578 153 HA LEU 19 HA LEU 19 0.413 2.592 -8.307 154 HB2 LEU 19 HB2 LEU 19 1.550 4.634 -10.218 155 HB3 LEU 19 HB3 LEU 19 0.665 5.031 -8.758 156 HG LEU 19 HG LEU 19 3.257 3.486 -8.804 157 HD11 LEU 19 HD11 LEU 19 3.836 5.832 -7.601 158 HD12 LEU 19 HD12 LEU 19 2.673 6.368 -8.814 159 HD13 LEU 19 HD13 LEU 19 4.125 5.498 -9.309 160 HD21 LEU 19 HD21 LEU 19 2.198 2.892 -6.830 161 HD22 LEU 19 HD22 LEU 19 1.441 4.474 -6.640 162 HD23 LEU 19 HD23 LEU 19 3.169 4.282 -6.343 163 H THR 20 H THR 20 -0.932 1.210 -10.305 164 HA THR 20 HA THR 20 -3.132 3.070 -10.859 165 HB THR 20 HB THR 20 -1.968 1.105 -12.844 166 HG1 THR 20 HG1 THR 20 -1.563 3.026 -14.034 167 HG21 THR 20 HG21 THR 20 -4.530 2.566 -12.808 168 HG22 THR 20 HG22 THR 20 -4.096 1.043 -13.584 169 HG23 THR 20 HG23 THR 20 -3.629 2.574 -14.324 170 H VAL 21 H VAL 21 -5.071 2.276 -10.304 171 HA VAL 21 HA VAL 21 -5.201 -0.482 -9.364 172 HB VAL 21 HB VAL 21 -7.474 1.472 -9.172 173 HG11 VAL 21 HG11 VAL 21 -6.617 -0.621 -7.197 174 HG12 VAL 21 HG12 VAL 21 -7.642 -1.003 -8.580 175 HG13 VAL 21 HG13 VAL 21 -8.191 0.155 -7.369 176 HG21 VAL 21 HG21 VAL 21 -6.634 2.396 -7.156 177 HG22 VAL 21 HG22 VAL 21 -5.338 2.532 -8.343 178 HG23 VAL 21 HG23 VAL 21 -5.283 1.264 -7.118 179 H GLU 22 H GLU 22 -6.085 -2.063 -10.532 180 HA GLU 22 HA GLU 22 -7.484 -1.376 -12.994 181 HB2 GLU 22 HB2 GLU 22 -5.635 -3.313 -12.410 182 HB3 GLU 22 HB3 GLU 22 -7.138 -4.223 -12.358 183 HG2 GLU 22 HG2 GLU 22 -7.634 -3.757 -14.593 184 HG3 GLU 22 HG3 GLU 22 -6.467 -2.438 -14.667 185 H THR 23 H THR 23 -9.606 -1.601 -13.307 186 HA THR 23 HA THR 23 -11.165 -3.123 -11.333 187 HB THR 23 HB THR 23 -12.147 -0.541 -12.531 188 HG1 THR 23 HG1 THR 23 -10.257 -0.111 -11.323 189 HG21 THR 23 HG21 THR 23 -13.671 -0.483 -10.696 190 HG22 THR 23 HG22 THR 23 -12.921 -1.903 -9.967 191 HG23 THR 23 HG23 THR 23 -13.806 -2.054 -11.485 192 HA PRO 24 HA PRO 24 -12.856 -5.162 -14.882 193 HB2 PRO 24 HB2 PRO 24 -15.307 -5.831 -13.826 194 HB3 PRO 24 HB3 PRO 24 -13.815 -6.727 -13.530 195 HG2 PRO 24 HG2 PRO 24 -15.155 -4.668 -11.831 196 HG3 PRO 24 HG3 PRO 24 -14.402 -6.201 -11.352 197 HD2 PRO 24 HD2 PRO 24 -13.138 -3.877 -11.028 198 HD3 PRO 24 HD3 PRO 24 -12.253 -5.336 -11.505 199 H GLU 25 H GLU 25 -14.461 -2.497 -13.317 200 HA GLU 25 HA GLU 25 -16.220 -2.119 -15.633 201 HB2 GLU 25 HB2 GLU 25 -16.484 -1.619 -12.818 202 HB3 GLU 25 HB3 GLU 25 -16.686 -0.109 -13.695 203 HG2 GLU 25 HG2 GLU 25 -18.134 -2.367 -14.856 204 HG3 GLU 25 HG3 GLU 25 -18.646 -1.936 -13.226 205 H GLY 26 H GLY 26 -13.540 -0.684 -13.902 206 HA2 GLY 26 HA2 GLY 26 -12.864 0.938 -16.171 207 HA3 GLY 26 HA3 GLY 26 -13.471 1.890 -14.825 208 H SER 27 H SER 27 -11.812 2.840 -13.851 209 HA SER 27 HA SER 27 -9.693 1.226 -12.738 210 HB2 SER 27 HB2 SER 27 -7.873 2.593 -13.741 211 HB3 SER 27 HB3 SER 27 -8.757 1.653 -14.943 212 HG SER 27 HG SER 27 -8.731 4.414 -14.497 213 H VAL 28 H VAL 28 -8.135 2.669 -11.465 214 HA VAL 28 HA VAL 28 -9.350 5.163 -10.558 215 HB VAL 28 HB VAL 28 -8.612 3.006 -8.581 216 HG11 VAL 28 HG11 VAL 28 -10.180 4.662 -7.214 217 HG12 VAL 28 HG12 VAL 28 -9.549 5.813 -8.392 218 HG13 VAL 28 HG13 VAL 28 -8.440 4.915 -7.356 219 HG21 VAL 28 HG21 VAL 28 -10.981 2.661 -8.216 220 HG22 VAL 28 HG22 VAL 28 -10.585 2.354 -9.907 221 HG23 VAL 28 HG23 VAL 28 -11.372 3.864 -9.446 222 H HIS 29 H HIS 29 -7.826 6.658 -10.396 223 HA HIS 29 HA HIS 29 -5.027 5.827 -10.208 224 HB2 HIS 29 HB2 HIS 29 -6.408 8.331 -11.124 225 HB3 HIS 29 HB3 HIS 29 -4.704 8.372 -10.683 226 HD1 HIS 29 HD1 HIS 29 -6.881 7.754 -13.484 227 HD2 HIS 29 HD2 HIS 29 -3.142 6.405 -12.275 228 HE1 HIS 29 HE1 HIS 29 -5.817 6.786 -15.547 229 HE2 HIS 29 HE2 HIS 29 -3.589 5.900 -14.772 230 H LEU 30 H LEU 30 -3.591 7.397 -8.924 231 HA LEU 30 HA LEU 30 -4.768 8.710 -6.667 232 HB2 LEU 30 HB2 LEU 30 -3.523 7.191 -5.020 233 HB3 LEU 30 HB3 LEU 30 -5.043 6.622 -5.681 234 HG LEU 30 HG LEU 30 -3.860 5.174 -7.245 235 HD11 LEU 30 HD11 LEU 30 -1.865 6.116 -7.833 236 HD12 LEU 30 HD12 LEU 30 -1.306 4.939 -6.645 237 HD13 LEU 30 HD13 LEU 30 -1.495 6.631 -6.188 238 HD21 LEU 30 HD21 LEU 30 -3.102 4.954 -4.345 239 HD22 LEU 30 HD22 LEU 30 -2.702 3.706 -5.527 240 HD23 LEU 30 HD23 LEU 30 -4.389 4.115 -5.212 241 H THR 31 H THR 31 -3.053 9.490 -5.121 242 HA THR 31 HA THR 31 -0.866 10.568 -6.640 243 HB THR 31 HB THR 31 -0.824 10.889 -3.705 244 HG1 THR 31 HG1 THR 31 -2.981 10.981 -3.788 245 HG21 THR 31 HG21 THR 31 -1.071 13.366 -4.709 246 HG22 THR 31 HG22 THR 31 -0.367 12.534 -6.095 247 HG23 THR 31 HG23 THR 31 0.467 12.520 -4.541 248 HA PRO 32 HA PRO 32 1.950 7.275 -5.687 249 HB2 PRO 32 HB2 PRO 32 4.268 8.488 -6.415 250 HB3 PRO 32 HB3 PRO 32 3.097 7.868 -7.585 251 HG2 PRO 32 HG2 PRO 32 3.501 10.671 -6.613 252 HG3 PRO 32 HG3 PRO 32 3.219 10.090 -8.265 253 HD2 PRO 32 HD2 PRO 32 1.253 11.166 -6.749 254 HD3 PRO 32 HD3 PRO 32 0.945 9.886 -7.941 255 H SER 33 H SER 33 1.998 10.341 -4.152 256 HA SER 33 HA SER 33 4.171 9.664 -2.378 257 HB2 SER 33 HB2 SER 33 3.799 11.819 -1.347 258 HB3 SER 33 HB3 SER 33 3.718 12.026 -3.096 259 HG SER 33 HG SER 33 1.382 11.816 -2.828 260 H GLU 34 H GLU 34 0.687 9.825 -2.284 261 HA GLU 34 HA GLU 34 0.640 8.914 0.473 262 HB2 GLU 34 HB2 GLU 34 -1.846 9.007 0.202 263 HB3 GLU 34 HB3 GLU 34 -1.046 10.544 -0.096 264 HG2 GLU 34 HG2 GLU 34 -2.036 10.661 -2.063 265 HG3 GLU 34 HG3 GLU 34 -1.187 9.202 -2.569 266 H SER 35 H SER 35 0.181 7.739 -2.755 267 HA SER 35 HA SER 35 -0.717 5.144 -1.835 268 HB2 SER 35 HB2 SER 35 -1.141 4.629 -4.044 269 HB3 SER 35 HB3 SER 35 -1.254 6.386 -4.128 270 HG SER 35 HG SER 35 0.291 6.265 -5.535 271 H GLY 36 H GLY 36 2.177 6.847 -2.236 272 HA2 GLY 36 HA2 GLY 36 3.900 4.669 -2.882 273 HA3 GLY 36 HA3 GLY 36 4.390 6.233 -2.254 274 H ILE 37 H ILE 37 2.592 6.022 0.052 275 HA ILE 37 HA ILE 37 4.401 4.660 1.804 276 HB ILE 37 HB ILE 37 3.214 6.680 2.541 277 HG12 ILE 37 HG12 ILE 37 2.177 4.488 4.300 278 HG13 ILE 37 HG13 ILE 37 3.915 4.658 4.075 279 HG21 ILE 37 HG21 ILE 37 1.062 6.928 2.062 280 HG22 ILE 37 HG22 ILE 37 0.689 5.706 3.278 281 HG23 ILE 37 HG23 ILE 37 0.924 5.234 1.595 282 HD11 ILE 37 HD11 ILE 37 3.876 6.127 5.728 283 HD12 ILE 37 HD12 ILE 37 2.113 6.178 5.726 284 HD13 ILE 37 HD13 ILE 37 3.028 7.225 4.640 285 H LEU 38 H LEU 38 1.427 3.861 0.236 286 HA LEU 38 HA LEU 38 0.788 1.618 1.887 287 HB2 LEU 38 HB2 LEU 38 -1.109 1.508 0.687 288 HB3 LEU 38 HB3 LEU 38 -0.611 3.072 0.076 289 HG LEU 38 HG LEU 38 0.616 1.459 -1.720 290 HD11 LEU 38 HD11 LEU 38 -1.525 -0.104 -2.213 291 HD12 LEU 38 HD12 LEU 38 -1.519 -0.118 -0.449 292 HD13 LEU 38 HD13 LEU 38 -0.091 -0.645 -1.340 293 HD21 LEU 38 HD21 LEU 38 -1.479 1.834 -3.125 294 HD22 LEU 38 HD22 LEU 38 -0.686 3.260 -2.459 295 HD23 LEU 38 HD23 LEU 38 -2.148 2.630 -1.701 296 H LYS 39 H LYS 39 3.013 2.195 -0.625 297 HA LYS 39 HA LYS 39 3.196 -0.478 -1.606 298 HB2 LYS 39 HB2 LYS 39 3.837 1.551 -2.918 299 HB3 LYS 39 HB3 LYS 39 5.217 1.748 -1.846 300 HG2 LYS 39 HG2 LYS 39 5.097 -0.924 -2.945 301 HG3 LYS 39 HG3 LYS 39 5.132 0.307 -4.209 302 HD2 LYS 39 HD2 LYS 39 7.089 1.333 -2.995 303 HD3 LYS 39 HD3 LYS 39 7.115 -0.109 -1.980 304 HE2 LYS 39 HE2 LYS 39 8.348 -1.130 -3.519 305 HE3 LYS 39 HE3 LYS 39 6.999 -1.005 -4.648 306 HZ1 LYS 39 HZ1 LYS 39 7.838 0.984 -5.524 307 HZ2 LYS 39 HZ2 LYS 39 9.191 -0.022 -5.380 308 HZ3 LYS 39 HZ3 LYS 39 8.927 1.206 -4.247 309 H ARG 40 H ARG 40 4.985 1.467 0.703 310 HA ARG 40 HA ARG 40 6.957 -0.525 1.220 311 HB2 ARG 40 HB2 ARG 40 6.492 2.171 1.987 312 HB3 ARG 40 HB3 ARG 40 6.677 1.229 3.459 313 HG2 ARG 40 HG2 ARG 40 8.867 1.441 3.183 314 HG3 ARG 40 HG3 ARG 40 8.719 0.320 1.829 315 HD2 ARG 40 HD2 ARG 40 8.073 3.130 1.231 316 HD3 ARG 40 HD3 ARG 40 9.758 2.809 1.637 317 HE ARG 40 HE ARG 40 8.360 2.004 -0.745 318 HH11 ARG 40 HH11 ARG 40 11.069 1.338 1.352 319 HH12 ARG 40 HH12 ARG 40 11.986 0.537 0.120 320 HH21 ARG 40 HH21 ARG 40 9.564 0.951 -2.366 321 HH22 ARG 40 HH22 ARG 40 11.131 0.318 -1.991 322 H LEU 41 H LEU 41 3.796 0.129 2.443 323 HA LEU 41 HA LEU 41 4.084 -1.543 4.771 324 HB2 LEU 41 HB2 LEU 41 1.994 0.157 3.594 325 HB3 LEU 41 HB3 LEU 41 1.387 -1.273 4.407 326 HG LEU 41 HG LEU 41 2.502 -0.607 6.472 327 HD11 LEU 41 HD11 LEU 41 3.559 1.617 6.629 328 HD12 LEU 41 HD12 LEU 41 3.424 1.779 4.878 329 HD13 LEU 41 HD13 LEU 41 4.438 0.514 5.570 330 HD21 LEU 41 HD21 LEU 41 0.883 0.853 7.088 331 HD22 LEU 41 HD22 LEU 41 0.226 0.409 5.512 332 HD23 LEU 41 HD23 LEU 41 1.145 1.903 5.695 333 H LEU 42 H LEU 42 3.353 -1.978 1.458 334 HA LEU 42 HA LEU 42 1.907 -4.441 1.793 335 HB2 LEU 42 HB2 LEU 42 2.571 -2.644 -0.378 336 HB3 LEU 42 HB3 LEU 42 2.834 -4.315 -0.838 337 HG LEU 42 HG LEU 42 0.566 -3.392 -1.399 338 HD11 LEU 42 HD11 LEU 42 1.306 -5.889 -0.699 339 HD12 LEU 42 HD12 LEU 42 -0.308 -5.460 -1.267 340 HD13 LEU 42 HD13 LEU 42 0.010 -5.601 0.462 341 HD21 LEU 42 HD21 LEU 42 0.532 -2.258 0.990 342 HD22 LEU 42 HD22 LEU 42 -0.233 -3.782 1.436 343 HD23 LEU 42 HD23 LEU 42 -0.952 -2.768 0.185 344 H ILE 43 H ILE 43 5.210 -3.481 1.516 345 HA ILE 43 HA ILE 43 6.174 -6.057 0.667 346 HB ILE 43 HB ILE 43 7.924 -4.043 2.034 347 HG12 ILE 43 HG12 ILE 43 6.694 -2.665 0.501 348 HG13 ILE 43 HG13 ILE 43 8.268 -2.982 -0.218 349 HG21 ILE 43 HG21 ILE 43 8.829 -6.233 1.377 350 HG22 ILE 43 HG22 ILE 43 9.599 -4.905 0.510 351 HG23 ILE 43 HG23 ILE 43 8.386 -5.899 -0.298 352 HD11 ILE 43 HD11 ILE 43 7.109 -3.492 -2.049 353 HD12 ILE 43 HD12 ILE 43 5.601 -3.686 -1.156 354 HD13 ILE 43 HD13 ILE 43 6.758 -5.015 -1.232 355 H ASN 44 H ASN 44 5.602 -4.419 3.703 356 HA ASN 44 HA ASN 44 6.897 -6.547 5.213 357 HB2 ASN 44 HB2 ASN 44 6.534 -3.823 5.678 358 HB3 ASN 44 HB3 ASN 44 5.427 -4.606 6.802 359 HD21 ASN 44 HD21 ASN 44 7.445 -3.184 7.825 360 HD22 ASN 44 HD22 ASN 44 8.648 -4.218 8.509 361 H LYS 45 H LYS 45 3.742 -5.245 4.531 362 HA LYS 45 HA LYS 45 1.621 -5.906 5.091 363 HB2 LYS 45 HB2 LYS 45 2.221 -7.448 3.292 364 HB3 LYS 45 HB3 LYS 45 2.898 -8.571 4.462 365 HG2 LYS 45 HG2 LYS 45 0.391 -8.284 5.435 366 HG3 LYS 45 HG3 LYS 45 0.106 -8.077 3.707 367 HD2 LYS 45 HD2 LYS 45 1.902 -10.290 4.270 368 HD3 LYS 45 HD3 LYS 45 0.338 -10.481 5.063 369 HE2 LYS 45 HE2 LYS 45 -0.700 -9.923 2.812 370 HE3 LYS 45 HE3 LYS 45 0.912 -10.138 2.131 371 HZ1 LYS 45 HZ1 LYS 45 0.620 -12.377 3.583 372 HZ2 LYS 45 HZ2 LYS 45 0.271 -12.259 1.933 373 HZ3 LYS 45 HZ3 LYS 45 -0.972 -12.116 3.071 374 H GLY 46 H GLY 46 2.127 -5.275 7.384 375 HA2 GLY 46 HA2 GLY 46 1.275 -5.859 9.504 376 HA3 GLY 46 HA3 GLY 46 1.487 -7.548 9.112 377 H GLN 47 H GLN 47 2.876 -4.724 10.477 378 HA GLN 47 HA GLN 47 4.812 -6.186 11.934 379 HB2 GLN 47 HB2 GLN 47 5.627 -5.107 9.357 380 HB3 GLN 47 HB3 GLN 47 6.588 -4.449 10.675 381 HG2 GLN 47 HG2 GLN 47 6.126 -7.394 10.448 382 HG3 GLN 47 HG3 GLN 47 7.373 -6.597 9.490 383 HE21 GLN 47 HE21 GLN 47 9.296 -6.760 10.365 384 HE22 GLN 47 HE22 GLN 47 9.660 -6.753 12.054 385 H LEU 48 H LEU 48 5.677 -4.970 13.621 386 HA LEU 48 HA LEU 48 4.230 -2.623 14.314 387 HB2 LEU 48 HB2 LEU 48 5.574 -4.499 15.732 388 HB3 LEU 48 HB3 LEU 48 6.743 -3.193 15.756 389 HG LEU 48 HG LEU 48 5.227 -3.255 17.737 390 HD11 LEU 48 HD11 LEU 48 5.654 -0.941 15.968 391 HD12 LEU 48 HD12 LEU 48 6.082 -1.174 17.662 392 HD13 LEU 48 HD13 LEU 48 4.432 -0.734 17.222 393 HD21 LEU 48 HD21 LEU 48 2.990 -3.175 17.594 394 HD22 LEU 48 HD22 LEU 48 3.244 -3.744 15.945 395 HD23 LEU 48 HD23 LEU 48 3.014 -2.024 16.258 396 H CYS 49 H CYS 49 4.566 -0.680 13.494 397 HA CYS 49 HA CYS 49 7.335 0.201 13.046 398 HB2 CYS 49 HB2 CYS 49 5.869 -0.418 10.944 399 HB3 CYS 49 HB3 CYS 49 5.161 1.167 11.234 400 HG CYS 49 HG CYS 49 7.372 1.027 9.576 401 H LEU 50 H LEU 50 7.465 2.628 12.831 402 HA LEU 50 HA LEU 50 5.482 3.936 14.574 403 HB2 LEU 50 HB2 LEU 50 8.469 4.389 14.552 404 HB3 LEU 50 HB3 LEU 50 7.313 5.286 15.518 405 HG LEU 50 HG LEU 50 8.372 3.695 16.945 406 HD11 LEU 50 HD11 LEU 50 5.838 4.014 17.032 407 HD12 LEU 50 HD12 LEU 50 6.517 2.618 17.868 408 HD13 LEU 50 HD13 LEU 50 5.739 2.413 16.299 409 HD21 LEU 50 HD21 LEU 50 8.741 2.175 14.736 410 HD22 LEU 50 HD22 LEU 50 7.444 1.289 15.537 411 HD23 LEU 50 HD23 LEU 50 8.957 1.597 16.388 412 H ARG 51 H ARG 51 5.698 6.411 14.402 413 HA ARG 51 HA ARG 51 5.134 7.181 11.770 414 HB2 ARG 51 HB2 ARG 51 4.883 8.331 14.266 415 HB3 ARG 51 HB3 ARG 51 6.066 9.361 13.473 416 HG2 ARG 51 HG2 ARG 51 4.566 9.918 11.740 417 HG3 ARG 51 HG3 ARG 51 3.440 8.642 12.206 418 HD2 ARG 51 HD2 ARG 51 4.090 11.158 13.733 419 HD3 ARG 51 HD3 ARG 51 2.563 10.748 12.951 420 HE ARG 51 HE ARG 51 2.889 8.736 14.718 421 HH11 ARG 51 HH11 ARG 51 3.016 12.210 15.039 422 HH12 ARG 51 HH12 ARG 51 2.465 12.203 16.680 423 HH21 ARG 51 HH21 ARG 51 2.165 8.726 16.877 424 HH22 ARG 51 HH22 ARG 51 1.983 10.226 17.724 425 H LYS 52 H LYS 52 7.808 8.450 13.690 426 HA LYS 52 HA LYS 52 9.301 9.577 11.710 427 HB2 LYS 52 HB2 LYS 52 9.749 9.509 14.240 428 HB3 LYS 52 HB3 LYS 52 10.632 8.023 13.915 429 HG2 LYS 52 HG2 LYS 52 12.293 9.627 13.899 430 HG3 LYS 52 HG3 LYS 52 11.923 9.433 12.185 431 HD2 LYS 52 HD2 LYS 52 11.965 11.734 12.412 432 HD3 LYS 52 HD3 LYS 52 10.246 11.379 12.600 433 HE2 LYS 52 HE2 LYS 52 10.369 12.557 14.493 434 HE3 LYS 52 HE3 LYS 52 11.202 11.156 15.167 435 HZ1 LYS 52 HZ1 LYS 52 12.809 12.638 15.586 436 HZ2 LYS 52 HZ2 LYS 52 12.247 13.753 14.446 437 HZ3 LYS 52 HZ3 LYS 52 13.209 12.453 13.951 438 H HIS 53 H HIS 53 8.974 6.215 12.427 439 HA HIS 53 HA HIS 53 11.143 5.325 10.800 440 HB2 HIS 53 HB2 HIS 53 9.760 4.146 12.750 441 HB3 HIS 53 HB3 HIS 53 8.827 3.558 11.380 442 HD1 HIS 53 HD1 HIS 53 9.954 1.842 9.826 443 HD2 HIS 53 HD2 HIS 53 12.370 3.115 12.958 444 HE1 HIS 53 HE1 HIS 53 11.905 0.256 9.857 445 HE2 HIS 53 HE2 HIS 53 13.399 1.102 11.702 446 H LEU 54 H LEU 54 7.653 5.410 10.453 447 HA LEU 54 HA LEU 54 7.576 4.419 7.815 448 HB2 LEU 54 HB2 LEU 54 5.709 5.284 9.765 449 HB3 LEU 54 HB3 LEU 54 5.379 6.191 8.301 450 HG LEU 54 HG LEU 54 5.464 3.181 8.534 451 HD11 LEU 54 HD11 LEU 54 3.422 3.583 9.405 452 HD12 LEU 54 HD12 LEU 54 2.981 3.780 7.709 453 HD13 LEU 54 HD13 LEU 54 3.319 5.197 8.703 454 HD21 LEU 54 HD21 LEU 54 5.457 5.018 6.235 455 HD22 LEU 54 HD22 LEU 54 4.275 3.710 6.167 456 HD23 LEU 54 HD23 LEU 54 5.990 3.341 6.350 457 H LEU 55 H LEU 55 8.248 7.521 9.156 458 HA LEU 55 HA LEU 55 7.736 9.044 6.800 459 HB2 LEU 55 HB2 LEU 55 9.275 9.590 9.325 460 HB3 LEU 55 HB3 LEU 55 9.209 10.749 8.014 461 HG LEU 55 HG LEU 55 7.121 11.425 8.537 462 HD11 LEU 55 HD11 LEU 55 5.317 9.957 9.327 463 HD12 LEU 55 HD12 LEU 55 6.447 8.607 9.372 464 HD13 LEU 55 HD13 LEU 55 6.047 9.367 7.835 465 HD21 LEU 55 HD21 LEU 55 8.506 11.325 10.687 466 HD22 LEU 55 HD22 LEU 55 7.474 9.967 11.129 467 HD23 LEU 55 HD23 LEU 55 6.764 11.554 10.838 468 H GLU 56 H GLU 56 10.380 7.174 8.003 469 HA GLU 56 HA GLU 56 12.359 8.310 6.261 470 HB2 GLU 56 HB2 GLU 56 12.318 5.803 7.941 471 HB3 GLU 56 HB3 GLU 56 13.702 6.293 6.974 472 HG2 GLU 56 HG2 GLU 56 13.097 8.553 8.436 473 HG3 GLU 56 HG3 GLU 56 12.816 7.231 9.568 474 H GLU 57 H GLU 57 9.816 6.089 5.856 475 HA GLU 57 HA GLU 57 11.102 4.674 3.667 476 HB2 GLU 57 HB2 GLU 57 8.279 4.443 4.721 477 HB3 GLU 57 HB3 GLU 57 9.033 3.371 3.550 478 HG2 GLU 57 HG2 GLU 57 9.779 3.716 6.442 479 HG3 GLU 57 HG3 GLU 57 9.030 2.308 5.690 480 H ILE 58 H ILE 58 9.014 7.357 4.159 481 HA ILE 58 HA ILE 58 8.139 7.366 1.378 482 HB ILE 58 HB ILE 58 7.539 9.772 2.955 483 HG12 ILE 58 HG12 ILE 58 7.423 7.891 4.676 484 HG13 ILE 58 HG13 ILE 58 5.967 8.845 4.465 485 HG21 ILE 58 HG21 ILE 58 6.617 9.214 0.722 486 HG22 ILE 58 HG22 ILE 58 5.381 9.530 1.940 487 HG23 ILE 58 HG23 ILE 58 5.743 7.871 1.460 488 HD11 ILE 58 HD11 ILE 58 6.185 6.398 2.830 489 HD12 ILE 58 HD12 ILE 58 4.786 7.114 3.634 490 HD13 ILE 58 HD13 ILE 58 5.961 6.187 4.567 491 H LYS 59 H LYS 59 10.498 8.760 3.447 492 HA LYS 59 HA LYS 59 11.171 10.923 1.652 493 HB2 LYS 59 HB2 LYS 59 11.388 10.984 4.195 494 HB3 LYS 59 HB3 LYS 59 12.797 9.951 3.998 495 HG2 LYS 59 HG2 LYS 59 13.937 11.634 2.735 496 HG3 LYS 59 HG3 LYS 59 12.491 12.645 2.692 497 HD2 LYS 59 HD2 LYS 59 13.311 11.894 5.395 498 HD3 LYS 59 HD3 LYS 59 14.526 12.836 4.528 499 HE2 LYS 59 HE2 LYS 59 12.172 14.151 3.952 500 HE3 LYS 59 HE3 LYS 59 11.956 13.654 5.630 501 HZ1 LYS 59 HZ1 LYS 59 13.565 15.038 6.338 502 HZ2 LYS 59 HZ2 LYS 59 13.216 15.877 4.912 503 HZ3 LYS 59 HZ3 LYS 59 14.535 14.819 4.968 504 H ASN 60 H ASN 60 12.119 7.632 2.212 505 HA ASN 60 HA ASN 60 14.536 7.921 0.638 506 HB2 ASN 60 HB2 ASN 60 13.447 5.884 2.479 507 HB3 ASN 60 HB3 ASN 60 14.382 5.262 1.123 508 HD21 ASN 60 HD21 ASN 60 14.665 8.115 3.215 509 HD22 ASN 60 HD22 ASN 60 16.302 7.820 3.681 510 H HIS 61 H HIS 61 11.967 8.366 -0.612 511 HA HIS 61 HA HIS 61 12.321 6.760 -2.929 512 HB2 HIS 61 HB2 HIS 61 10.909 5.382 -1.182 513 HB3 HIS 61 HB3 HIS 61 9.600 6.425 -1.730 514 HD1 HIS 61 HD1 HIS 61 11.609 3.488 -2.699 515 HD2 HIS 61 HD2 HIS 61 8.908 6.088 -4.490 516 HE1 HIS 61 HE1 HIS 61 10.917 2.367 -4.841 517 HE2 HIS 61 HE2 HIS 61 9.206 3.913 -5.857 518 H ALA 62 H ALA 62 9.686 8.525 -1.290 519 HA ALA 62 HA ALA 62 9.847 10.840 -2.833 520 HB1 ALA 62 HB1 ALA 62 7.954 8.775 -3.928 521 HB2 ALA 62 HB2 ALA 62 9.251 9.621 -4.771 522 HB3 ALA 62 HB3 ALA 62 7.804 10.498 -4.273 523 H LYS 63 H LYS 63 9.387 11.778 -0.855 524 HA LYS 63 HA LYS 63 6.862 11.170 0.462 525 HB2 LYS 63 HB2 LYS 63 9.117 11.633 1.637 526 HB3 LYS 63 HB3 LYS 63 8.793 13.325 1.286 527 HG2 LYS 63 HG2 LYS 63 6.525 11.980 2.509 528 HG3 LYS 63 HG3 LYS 63 7.975 11.938 3.514 529 HD2 LYS 63 HD2 LYS 63 8.102 14.484 2.854 530 HD3 LYS 63 HD3 LYS 63 6.372 14.270 2.579 531 HE2 LYS 63 HE2 LYS 63 6.969 15.067 4.871 532 HE3 LYS 63 HE3 LYS 63 6.022 13.580 4.834 533 HZ1 LYS 63 HZ1 LYS 63 8.923 13.294 4.869 534 HZ2 LYS 63 HZ2 LYS 63 7.734 12.361 5.629 535 HZ3 LYS 63 HZ3 LYS 63 8.198 13.844 6.296 536 H ALA 64 H ALA 64 6.232 12.083 -1.946 537 HA ALA 64 HA ALA 64 4.978 13.618 -3.058 538 HB1 ALA 64 HB1 ALA 64 4.496 14.235 -0.219 539 HB2 ALA 64 HB2 ALA 64 3.352 13.938 -1.528 540 HB3 ALA 64 HB3 ALA 64 4.102 15.524 -1.356 541 H ILE 65 H ILE 65 7.775 13.950 -2.985 542 HA ILE 65 HA ILE 65 9.474 15.462 -3.258 543 HB ILE 65 HB ILE 65 8.464 15.633 -5.410 544 HG12 ILE 65 HG12 ILE 65 8.611 18.519 -5.127 545 HG13 ILE 65 HG13 ILE 65 9.905 17.724 -4.238 546 HG21 ILE 65 HG21 ILE 65 6.682 17.307 -5.887 547 HG22 ILE 65 HG22 ILE 65 6.519 17.553 -4.149 548 HG23 ILE 65 HG23 ILE 65 6.171 15.974 -4.852 549 HD11 ILE 65 HD11 ILE 65 10.292 16.410 -6.416 550 HD12 ILE 65 HD12 ILE 65 10.828 18.088 -6.323 551 HD13 ILE 65 HD13 ILE 65 9.333 17.685 -7.168 552 H VAL 66 H VAL 66 9.574 16.032 -1.006 553 HA VAL 66 HA VAL 66 9.497 17.429 0.802 554 HB VAL 66 HB VAL 66 11.220 18.509 -0.504 555 HG11 VAL 66 HG11 VAL 66 10.624 20.484 -1.939 556 HG12 VAL 66 HG12 VAL 66 8.945 19.954 -1.842 557 HG13 VAL 66 HG13 VAL 66 10.157 18.911 -2.585 558 HG21 VAL 66 HG21 VAL 66 9.982 20.998 0.254 559 HG22 VAL 66 HG22 VAL 66 11.337 20.146 0.994 560 HG23 VAL 66 HG23 VAL 66 9.684 19.755 1.469 561 H ALA 67 H ALA 67 7.029 16.820 0.602 562 HA ALA 67 HA ALA 67 5.333 19.119 0.084 563 HB1 ALA 67 HB1 ALA 67 3.948 17.470 -0.478 564 HB2 ALA 67 HB2 ALA 67 3.767 17.135 1.244 565 HB3 ALA 67 HB3 ALA 67 4.970 16.260 0.297 566 H ARG 68 H ARG 68 3.383 18.944 1.965 567 HA ARG 68 HA ARG 68 4.457 20.372 4.128 568 HB2 ARG 68 HB2 ARG 68 1.821 19.389 3.316 569 HB3 ARG 68 HB3 ARG 68 2.029 19.500 5.059 570 HG2 ARG 68 HG2 ARG 68 2.952 21.885 4.479 571 HG3 ARG 68 HG3 ARG 68 2.005 21.654 3.009 572 HD2 ARG 68 HD2 ARG 68 0.559 20.902 5.423 573 HD3 ARG 68 HD3 ARG 68 1.061 22.592 5.424 574 HE ARG 68 HE ARG 68 -0.027 22.289 2.973 575 HH11 ARG 68 HH11 ARG 68 -1.171 21.533 6.183 576 HH12 ARG 68 HH12 ARG 68 -2.838 21.775 5.782 577 HH21 ARG 68 HH21 ARG 68 -2.220 22.607 2.444 578 HH22 ARG 68 HH22 ARG 68 -3.434 22.384 3.659 579 H ASN 69 H ASN 69 2.822 17.252 4.257 580 HA ASN 69 HA ASN 69 4.845 16.114 5.964 581 HB2 ASN 69 HB2 ASN 69 2.061 16.316 7.113 582 HB3 ASN 69 HB3 ASN 69 3.529 15.771 7.917 583 HD21 ASN 69 HD21 ASN 69 1.479 18.364 7.319 584 HD22 ASN 69 HD22 ASN 69 2.456 19.620 7.991 585 H VAL 70 H VAL 70 4.340 13.834 6.526 586 HA VAL 70 HA VAL 70 3.043 12.550 4.276 587 HB VAL 70 HB VAL 70 5.215 11.698 5.036 588 HG11 VAL 70 HG11 VAL 70 5.718 11.215 7.153 589 HG12 VAL 70 HG12 VAL 70 4.206 10.344 7.413 590 HG13 VAL 70 HG13 VAL 70 4.252 12.101 7.569 591 HG21 VAL 70 HG21 VAL 70 4.368 9.885 4.036 592 HG22 VAL 70 HG22 VAL 70 2.801 10.072 4.821 593 HG23 VAL 70 HG23 VAL 70 4.120 9.264 5.670 594 H ASP 71 H ASP 71 2.524 13.076 7.664 595 HA ASP 71 HA ASP 71 0.645 11.161 8.295 596 HB2 ASP 71 HB2 ASP 71 1.693 13.327 9.583 597 HB3 ASP 71 HB3 ASP 71 0.021 13.829 9.352 598 H VAL 72 H VAL 72 -0.176 14.474 7.414 599 HA VAL 72 HA VAL 72 -2.886 14.069 6.980 600 HB VAL 72 HB VAL 72 -1.207 16.036 5.425 601 HG11 VAL 72 HG11 VAL 72 -3.552 15.777 4.716 602 HG12 VAL 72 HG12 VAL 72 -3.220 17.377 5.379 603 HG13 VAL 72 HG13 VAL 72 -4.072 16.179 6.353 604 HG21 VAL 72 HG21 VAL 72 -1.834 17.598 7.345 605 HG22 VAL 72 HG22 VAL 72 -0.556 16.420 7.646 606 HG23 VAL 72 HG23 VAL 72 -2.183 16.134 8.263 607 H HIS 73 H HIS 73 -0.182 13.294 4.984 608 HA HIS 73 HA HIS 73 -1.659 12.979 2.556 609 HB2 HIS 73 HB2 HIS 73 1.114 12.611 3.442 610 HB3 HIS 73 HB3 HIS 73 0.593 11.427 2.247 611 HD1 HIS 73 HD1 HIS 73 -0.676 14.954 2.174 612 HD2 HIS 73 HD2 HIS 73 2.086 12.566 0.191 613 HE1 HIS 73 HE1 HIS 73 0.029 16.277 0.156 614 HE2 HIS 73 HE2 HIS 73 1.611 14.763 -1.089 615 H ILE 74 H ILE 74 -1.112 11.087 5.367 616 HA ILE 74 HA ILE 74 -1.559 8.518 4.243 617 HB ILE 74 HB ILE 74 -2.114 9.333 7.092 618 HG12 ILE 74 HG12 ILE 74 0.106 10.037 6.792 619 HG13 ILE 74 HG13 ILE 74 0.261 8.418 7.460 620 HG21 ILE 74 HG21 ILE 74 -1.745 6.744 5.667 621 HG22 ILE 74 HG22 ILE 74 -2.932 7.201 6.888 622 HG23 ILE 74 HG23 ILE 74 -1.264 6.877 7.358 623 HD11 ILE 74 HD11 ILE 74 1.842 8.543 5.745 624 HD12 ILE 74 HD12 ILE 74 0.709 9.318 4.638 625 HD13 ILE 74 HD13 ILE 74 0.503 7.619 5.065 626 H ALA 75 H ALA 75 -3.605 11.033 5.521 627 HA ALA 75 HA ALA 75 -5.976 9.494 5.696 628 HB1 ALA 75 HB1 ALA 75 -7.078 11.806 5.677 629 HB2 ALA 75 HB2 ALA 75 -5.433 12.439 5.657 630 HB3 ALA 75 HB3 ALA 75 -5.974 11.431 7.000 631 H SER 76 H SER 76 -4.441 11.271 3.143 632 HA SER 76 HA SER 76 -6.702 11.298 1.399 633 HB2 SER 76 HB2 SER 76 -3.971 12.263 1.337 634 HB3 SER 76 HB3 SER 76 -4.402 11.497 -0.192 635 HG SER 76 HG SER 76 -5.872 13.545 1.116 636 H LEU 77 H LEU 77 -4.148 9.078 2.100 637 HA LEU 77 HA LEU 77 -4.392 7.481 -0.222 638 HB2 LEU 77 HB2 LEU 77 -2.401 7.384 1.173 639 HB3 LEU 77 HB3 LEU 77 -3.355 6.797 2.524 640 HG LEU 77 HG LEU 77 -3.865 4.743 1.240 641 HD11 LEU 77 HD11 LEU 77 -2.119 6.091 -0.789 642 HD12 LEU 77 HD12 LEU 77 -3.713 5.371 -1.004 643 HD13 LEU 77 HD13 LEU 77 -2.307 4.339 -0.746 644 HD21 LEU 77 HD21 LEU 77 -0.949 4.734 1.110 645 HD22 LEU 77 HD22 LEU 77 -2.045 3.761 2.089 646 HD23 LEU 77 HD23 LEU 77 -1.589 5.379 2.621 647 H ARG 78 H ARG 78 -5.989 7.579 2.857 648 HA ARG 78 HA ARG 78 -7.304 5.078 2.685 649 HB2 ARG 78 HB2 ARG 78 -7.093 7.125 4.573 650 HB3 ARG 78 HB3 ARG 78 -8.803 7.072 4.169 651 HG2 ARG 78 HG2 ARG 78 -9.008 4.837 4.866 652 HG3 ARG 78 HG3 ARG 78 -7.259 4.606 4.904 653 HD2 ARG 78 HD2 ARG 78 -7.104 5.400 6.985 654 HD3 ARG 78 HD3 ARG 78 -8.124 6.789 6.614 655 HE ARG 78 HE ARG 78 -8.911 4.404 7.946 656 HH11 ARG 78 HH11 ARG 78 -10.060 6.865 5.754 657 HH12 ARG 78 HH12 ARG 78 -11.721 6.665 6.203 658 HH21 ARG 78 HH21 ARG 78 -11.095 4.140 8.536 659 HH22 ARG 78 HH22 ARG 78 -12.308 5.119 7.782 660 H LYS 79 H LYS 79 -7.797 8.054 1.081 661 HA LYS 79 HA LYS 79 -10.597 7.534 0.534 662 HB2 LYS 79 HB2 LYS 79 -8.812 9.822 0.340 663 HB3 LYS 79 HB3 LYS 79 -9.817 9.642 -1.091 664 HG2 LYS 79 HG2 LYS 79 -11.678 9.311 0.817 665 HG3 LYS 79 HG3 LYS 79 -10.553 10.376 1.663 666 HD2 LYS 79 HD2 LYS 79 -10.670 11.977 -0.173 667 HD3 LYS 79 HD3 LYS 79 -11.761 10.904 -1.052 668 HE2 LYS 79 HE2 LYS 79 -12.844 12.816 0.201 669 HE3 LYS 79 HE3 LYS 79 -13.489 11.208 0.525 670 HZ1 LYS 79 HZ1 LYS 79 -13.121 12.614 2.530 671 HZ2 LYS 79 HZ2 LYS 79 -11.458 12.527 2.237 672 HZ3 LYS 79 HZ3 LYS 79 -12.330 11.119 2.577 673 H LYS 80 H LYS 80 -7.525 7.425 -1.108 674 HA LYS 80 HA LYS 80 -8.763 6.657 -3.596 675 HB2 LYS 80 HB2 LYS 80 -5.825 6.852 -2.973 676 HB3 LYS 80 HB3 LYS 80 -6.565 6.770 -4.566 677 HG2 LYS 80 HG2 LYS 80 -7.349 9.006 -2.778 678 HG3 LYS 80 HG3 LYS 80 -5.752 9.051 -3.530 679 HD2 LYS 80 HD2 LYS 80 -7.074 8.488 -5.708 680 HD3 LYS 80 HD3 LYS 80 -8.455 9.114 -4.806 681 HE2 LYS 80 HE2 LYS 80 -7.823 11.196 -5.244 682 HE3 LYS 80 HE3 LYS 80 -6.264 10.905 -4.474 683 HZ1 LYS 80 HZ1 LYS 80 -6.551 9.831 -7.152 684 HZ2 LYS 80 HZ2 LYS 80 -5.247 10.642 -6.444 685 HZ3 LYS 80 HZ3 LYS 80 -6.558 11.520 -7.050 686 H LEU 81 H LEU 81 -6.465 5.311 -1.307 687 HA LEU 81 HA LEU 81 -6.217 2.780 -2.503 688 HB2 LEU 81 HB2 LEU 81 -4.683 3.713 -0.787 689 HB3 LEU 81 HB3 LEU 81 -5.930 3.477 0.419 690 HG LEU 81 HG LEU 81 -5.698 1.157 0.396 691 HD11 LEU 81 HD11 LEU 81 -4.314 -0.019 -1.341 692 HD12 LEU 81 HD12 LEU 81 -4.352 1.483 -2.267 693 HD13 LEU 81 HD13 LEU 81 -5.854 0.636 -1.896 694 HD21 LEU 81 HD21 LEU 81 -3.628 0.970 1.245 695 HD22 LEU 81 HD22 LEU 81 -3.534 2.703 0.939 696 HD23 LEU 81 HD23 LEU 81 -2.862 1.563 -0.227 697 H GLY 82 H GLY 82 -8.062 3.628 0.443 698 HA2 GLY 82 HA2 GLY 82 -10.386 2.988 0.661 699 HA3 GLY 82 HA3 GLY 82 -10.046 1.595 -0.352 700 H ALA 83 H ALA 83 -10.530 -0.093 0.918 701 HA ALA 83 HA ALA 83 -10.235 -0.227 3.691 702 HB1 ALA 83 HB1 ALA 83 -11.626 -1.876 3.010 703 HB2 ALA 83 HB2 ALA 83 -10.139 -2.823 3.059 704 HB3 ALA 83 HB3 ALA 83 -10.722 -2.176 1.526 705 H TYR 84 H TYR 84 -7.883 -0.476 1.228 706 HA TYR 84 HA TYR 84 -5.982 -1.926 2.871 707 HB2 TYR 84 HB2 TYR 84 -6.350 -1.749 0.147 708 HB3 TYR 84 HB3 TYR 84 -4.969 -0.692 0.412 709 HD1 TYR 84 HD1 TYR 84 -3.423 -1.949 2.462 710 HD2 TYR 84 HD2 TYR 84 -5.621 -3.769 -0.693 711 HE1 TYR 84 HE1 TYR 84 -1.937 -3.905 2.565 712 HE2 TYR 84 HE2 TYR 84 -4.142 -5.732 -0.599 713 HH TYR 84 HH TYR 84 -2.546 -6.788 0.635 714 H GLY 85 H GLY 85 -6.845 1.327 2.106 715 HA2 GLY 85 HA2 GLY 85 -4.314 2.509 2.754 716 HA3 GLY 85 HA3 GLY 85 -5.845 3.353 2.595 717 H SER 86 H SER 86 -7.193 1.620 4.509 718 HA SER 86 HA SER 86 -6.563 3.078 6.874 719 HB2 SER 86 HB2 SER 86 -8.193 1.025 7.709 720 HB3 SER 86 HB3 SER 86 -8.757 2.571 7.076 721 HG SER 86 HG SER 86 -9.305 1.640 5.243 722 H ARG 87 H ARG 87 -5.219 0.329 5.446 723 HA ARG 87 HA ARG 87 -4.675 -1.399 7.522 724 HB2 ARG 87 HB2 ARG 87 -3.905 -1.254 4.935 725 HB3 ARG 87 HB3 ARG 87 -2.389 -0.870 5.738 726 HG2 ARG 87 HG2 ARG 87 -2.067 -3.041 6.002 727 HG3 ARG 87 HG3 ARG 87 -3.418 -3.052 7.132 728 HD2 ARG 87 HD2 ARG 87 -3.988 -3.191 4.212 729 HD3 ARG 87 HD3 ARG 87 -3.386 -4.635 5.026 730 HE ARG 87 HE ARG 87 -5.412 -3.862 6.623 731 HH11 ARG 87 HH11 ARG 87 -5.196 -4.374 3.177 732 HH12 ARG 87 HH12 ARG 87 -6.855 -4.841 3.016 733 HH21 ARG 87 HH21 ARG 87 -7.594 -4.476 6.413 734 HH22 ARG 87 HH22 ARG 87 -8.218 -4.898 4.853 735 H ILE 88 H ILE 88 -3.361 1.782 6.978 736 HA ILE 88 HA ILE 88 -1.118 1.482 8.726 737 HB ILE 88 HB ILE 88 -1.549 4.148 8.812 738 HG12 ILE 88 HG12 ILE 88 -2.280 4.892 6.576 739 HG13 ILE 88 HG13 ILE 88 -2.718 3.236 6.185 740 HG21 ILE 88 HG21 ILE 88 -0.314 3.108 6.324 741 HG22 ILE 88 HG22 ILE 88 0.370 2.621 7.875 742 HG23 ILE 88 HG23 ILE 88 0.271 4.332 7.452 743 HD11 ILE 88 HD11 ILE 88 -4.544 4.883 6.959 744 HD12 ILE 88 HD12 ILE 88 -3.898 4.587 8.573 745 HD13 ILE 88 HD13 ILE 88 -4.534 3.248 7.618 746 H VAL 89 H VAL 89 -2.424 0.365 10.420 747 HA VAL 89 HA VAL 89 -4.276 1.896 11.973 748 HB VAL 89 HB VAL 89 -2.841 -0.634 12.781 749 HG11 VAL 89 HG11 VAL 89 -4.342 0.993 14.339 750 HG12 VAL 89 HG12 VAL 89 -4.196 -0.748 14.574 751 HG13 VAL 89 HG13 VAL 89 -5.579 -0.089 13.700 752 HG21 VAL 89 HG21 VAL 89 -3.893 -1.472 10.967 753 HG22 VAL 89 HG22 VAL 89 -5.058 -0.150 10.898 754 HG23 VAL 89 HG23 VAL 89 -5.288 -1.469 12.045 755 H THR 90 H THR 90 -3.200 3.779 12.593 756 HA THR 90 HA THR 90 -0.728 3.649 14.070 757 HB THR 90 HB THR 90 -1.035 5.585 12.714 758 HG1 THR 90 HG1 THR 90 -0.456 7.003 14.179 759 HG21 THR 90 HG21 THR 90 -2.992 7.175 13.677 760 HG22 THR 90 HG22 THR 90 -3.750 5.589 13.814 761 HG23 THR 90 HG23 THR 90 -3.149 6.147 12.253 762 H LEU 91 H LEU 91 -0.817 2.767 16.043 763 HA LEU 91 HA LEU 91 -3.119 3.247 17.760 764 HB2 LEU 91 HB2 LEU 91 -1.092 1.202 17.505 765 HB3 LEU 91 HB3 LEU 91 -1.212 1.752 19.165 766 HG LEU 91 HG LEU 91 -3.839 1.403 18.561 767 HD11 LEU 91 HD11 LEU 91 -2.763 -1.081 17.403 768 HD12 LEU 91 HD12 LEU 91 -2.717 0.339 16.358 769 HD13 LEU 91 HD13 LEU 91 -4.250 -0.204 17.039 770 HD21 LEU 91 HD21 LEU 91 -2.006 -0.779 19.542 771 HD22 LEU 91 HD22 LEU 91 -3.723 -0.585 19.896 772 HD23 LEU 91 HD23 LEU 91 -2.556 0.578 20.526 773 H ARG 92 H ARG 92 -3.104 4.446 19.594 774 HA ARG 92 HA ARG 92 -0.941 6.321 19.929 775 HB2 ARG 92 HB2 ARG 92 -3.723 6.101 20.767 776 HB3 ARG 92 HB3 ARG 92 -2.685 6.679 22.064 777 HG2 ARG 92 HG2 ARG 92 -1.869 8.146 19.869 778 HG3 ARG 92 HG3 ARG 92 -3.621 8.039 19.683 779 HD2 ARG 92 HD2 ARG 92 -4.030 9.275 21.541 780 HD3 ARG 92 HD3 ARG 92 -2.612 8.664 22.391 781 HE ARG 92 HE ARG 92 -1.992 10.404 20.185 782 HH11 ARG 92 HH11 ARG 92 -2.771 10.248 23.584 783 HH12 ARG 92 HH12 ARG 92 -2.029 11.769 23.951 784 HH21 ARG 92 HH21 ARG 92 -1.017 12.404 20.667 785 HH22 ARG 92 HH22 ARG 92 -1.034 12.993 22.296 786 H GLY 93 H GLY 93 0.661 4.644 20.465 787 HA2 GLY 93 HA2 GLY 93 1.592 4.655 22.980 788 HA3 GLY 93 HA3 GLY 93 0.407 3.360 23.056 789 H VAL 94 H VAL 94 0.893 2.518 20.295 790 HA VAL 94 HA VAL 94 3.489 1.198 20.725 791 HB VAL 94 HB VAL 94 1.580 -0.346 20.735 792 HG11 VAL 94 HG11 VAL 94 0.906 -0.412 17.980 793 HG12 VAL 94 HG12 VAL 94 0.705 1.244 18.551 794 HG13 VAL 94 HG13 VAL 94 -0.138 -0.076 19.360 795 HG21 VAL 94 HG21 VAL 94 2.746 -1.140 18.188 796 HG22 VAL 94 HG22 VAL 94 2.828 -1.924 19.765 797 HG23 VAL 94 HG23 VAL 94 3.949 -0.621 19.369 798 H GLY 95 H GLY 95 1.539 3.029 18.485 799 HA2 GLY 95 HA2 GLY 95 2.700 4.452 16.902 800 HA3 GLY 95 HA3 GLY 95 3.874 3.165 16.688 801 H TYR 96 H TYR 96 3.511 3.384 14.411 802 HA TYR 96 HA TYR 96 0.965 2.913 13.238 803 HB2 TYR 96 HB2 TYR 96 3.743 3.255 12.302 804 HB3 TYR 96 HB3 TYR 96 2.724 2.268 11.259 805 HD1 TYR 96 HD1 TYR 96 0.204 3.421 11.089 806 HD2 TYR 96 HD2 TYR 96 3.910 5.441 11.623 807 HE1 TYR 96 HE1 TYR 96 -0.772 5.458 10.116 808 HE2 TYR 96 HE2 TYR 96 2.944 7.483 10.652 809 HH TYR 96 HH TYR 96 0.807 8.503 10.258 810 H LEU 97 H LEU 97 -0.054 1.056 12.787 811 HA LEU 97 HA LEU 97 1.485 -1.448 12.993 812 HB2 LEU 97 HB2 LEU 97 0.076 -1.157 14.964 813 HB3 LEU 97 HB3 LEU 97 -1.331 -0.943 13.951 814 HG LEU 97 HG LEU 97 -1.002 -3.217 15.078 815 HD11 LEU 97 HD11 LEU 97 -1.322 -4.032 12.363 816 HD12 LEU 97 HD12 LEU 97 -2.101 -2.466 12.594 817 HD13 LEU 97 HD13 LEU 97 -2.546 -3.831 13.617 818 HD21 LEU 97 HD21 LEU 97 0.641 -4.629 14.444 819 HD22 LEU 97 HD22 LEU 97 1.484 -3.127 14.065 820 HD23 LEU 97 HD23 LEU 97 0.668 -4.028 12.786 821 H PHE 98 H PHE 98 1.311 -2.801 11.339 822 HA PHE 98 HA PHE 98 -0.583 -2.126 9.218 823 HB2 PHE 98 HB2 PHE 98 1.666 -4.134 9.079 824 HB3 PHE 98 HB3 PHE 98 0.798 -3.403 7.738 825 HD1 PHE 98 HD1 PHE 98 0.887 -0.574 9.149 826 HD2 PHE 98 HD2 PHE 98 3.806 -3.501 8.133 827 HE1 PHE 98 HE1 PHE 98 2.600 1.186 9.014 828 HE2 PHE 98 HE2 PHE 98 5.524 -1.745 7.997 829 HZ PHE 98 HZ PHE 98 4.922 0.602 8.438 830 H SER 99 H SER 99 -2.482 -2.993 9.757 831 HA SER 99 HA SER 99 -3.196 -5.133 11.205 832 HB2 SER 99 HB2 SER 99 -4.951 -3.839 10.331 833 HB3 SER 99 HB3 SER 99 -4.413 -4.070 8.668 834 HG SER 99 HG SER 99 -5.800 -5.641 8.643 835 H ASP 100 H ASP 100 -3.564 -7.315 10.957 836 HA ASP 100 HA ASP 100 -1.676 -8.771 9.481 837 HB2 ASP 100 HB2 ASP 100 -3.744 -9.302 11.405 838 HB3 ASP 100 HB3 ASP 100 -3.793 -10.513 10.130 839 H ASP 101 H ASP 101 -4.779 -7.599 8.616 840 HA ASP 101 HA ASP 101 -5.870 -9.304 6.847 841 HB2 ASP 101 HB2 ASP 101 -6.715 -7.023 7.309 842 HB3 ASP 101 HB3 ASP 101 -5.450 -6.364 6.274 843 H GLY 102 H GLY 102 -3.640 -6.810 5.589 844 HA2 GLY 102 HA2 GLY 102 -2.361 -6.818 3.664 845 HA3 GLY 102 HA3 GLY 102 -1.748 -8.313 4.350 846 H ASP 103 H ASP 103 -4.223 -6.965 2.216 847 HA ASP 103 HA ASP 103 -5.152 -9.441 1.226 848 HB2 ASP 103 HB2 ASP 103 -5.686 -6.659 0.782 849 HB3 ASP 103 HB3 ASP 103 -5.510 -7.466 -0.774 850 H LYS 104 H LYS 104 -3.227 -10.627 0.768 851 HA LYS 104 HA LYS 104 -1.506 -9.692 -1.351 852 HB2 LYS 104 HB2 LYS 104 -0.803 -11.029 0.759 853 HB3 LYS 104 HB3 LYS 104 -1.376 -12.430 -0.135 854 HG2 LYS 104 HG2 LYS 104 0.934 -12.328 -0.525 855 HG3 LYS 104 HG3 LYS 104 0.179 -11.711 -1.997 856 HD2 LYS 104 HD2 LYS 104 0.880 -9.749 0.117 857 HD3 LYS 104 HD3 LYS 104 2.204 -10.462 -0.805 858 HE2 LYS 104 HE2 LYS 104 1.767 -9.136 -2.535 859 HE3 LYS 104 HE3 LYS 104 0.099 -9.699 -2.589 860 HZ1 LYS 104 HZ1 LYS 104 0.772 -7.189 -2.083 861 HZ2 LYS 104 HZ2 LYS 104 0.733 -7.783 -0.500 862 HZ3 LYS 104 HZ3 LYS 104 -0.639 -7.902 -1.481 863 H LYS 105 H LYS 105 -1.109 -10.944 -3.299 864 HA LYS 105 HA LYS 105 -3.077 -12.929 -4.013 865 HB2 LYS 105 HB2 LYS 105 -3.108 -10.166 -5.036 866 HB3 LYS 105 HB3 LYS 105 -3.254 -11.420 -6.260 867 HG2 LYS 105 HG2 LYS 105 -4.993 -12.084 -4.121 868 HG3 LYS 105 HG3 LYS 105 -5.247 -10.387 -4.530 869 HD2 LYS 105 HD2 LYS 105 -5.102 -11.542 -6.999 870 HD3 LYS 105 HD3 LYS 105 -5.881 -12.812 -6.052 871 HE2 LYS 105 HE2 LYS 105 -7.636 -11.329 -5.386 872 HE3 LYS 105 HE3 LYS 105 -6.803 -9.944 -6.091 873 HZ1 LYS 105 HZ1 LYS 105 -7.010 -11.533 -8.214 874 HZ2 LYS 105 HZ2 LYS 105 -8.172 -10.374 -7.804 875 HZ3 LYS 105 HZ3 LYS 105 -8.406 -11.993 -7.376 876 H PHE 106 H PHE 106 -1.441 -14.411 -4.301 877 HA PHE 106 HA PHE 106 0.847 -13.825 -5.919 878 HB2 PHE 106 HB2 PHE 106 0.325 -15.672 -3.965 879 HB3 PHE 106 HB3 PHE 106 0.240 -16.657 -5.422 880 HD1 PHE 106 HD1 PHE 106 2.407 -14.348 -3.512 881 HD2 PHE 106 HD2 PHE 106 2.186 -17.316 -6.554 882 HE1 PHE 106 HE1 PHE 106 4.864 -14.475 -3.561 883 HE2 PHE 106 HE2 PHE 106 4.643 -17.448 -6.608 884 HZ PHE 106 HZ PHE 106 5.985 -16.027 -5.110 885 H SER 107 H SER 107 1.181 -14.306 -8.039 886 HA SER 107 HA SER 107 -0.654 -16.032 -9.446 887 HB2 SER 107 HB2 SER 107 -1.706 -13.767 -9.515 888 HB3 SER 107 HB3 SER 107 -0.272 -13.173 -10.352 889 HG SER 107 HG SER 107 -0.739 -14.526 -12.065 890 H GLN 108 H GLN 108 1.077 -17.375 -9.884 891 HA GLN 108 HA GLN 108 3.530 -16.452 -10.969 892 HB2 GLN 108 HB2 GLN 108 2.721 -18.776 -9.821 893 HB3 GLN 108 HB3 GLN 108 2.747 -19.244 -11.515 894 HG2 GLN 108 HG2 GLN 108 5.126 -17.780 -10.849 895 HG3 GLN 108 HG3 GLN 108 4.898 -19.127 -9.736 896 HE21 GLN 108 HE21 GLN 108 6.201 -20.689 -10.386 897 HE22 GLN 108 HE22 GLN 108 6.337 -21.287 -12.001 898 H GLN 109 H GLN 109 1.140 -18.602 -12.509 899 HA GLN 109 HA GLN 109 2.071 -18.130 -15.121 900 HB2 GLN 109 HB2 GLN 109 0.230 -19.837 -13.912 901 HB3 GLN 109 HB3 GLN 109 -0.736 -18.876 -15.023 902 HG2 GLN 109 HG2 GLN 109 -0.114 -20.292 -16.608 903 HG3 GLN 109 HG3 GLN 109 1.489 -19.564 -16.510 904 HE21 GLN 109 HE21 GLN 109 -0.480 -21.979 -14.808 905 HE22 GLN 109 HE22 GLN 109 0.796 -23.125 -14.602 906 H ASP 110 H ASP 110 0.663 -17.229 -16.897 907 HA ASP 110 HA ASP 110 -0.459 -14.665 -16.013 908 HB2 ASP 110 HB2 ASP 110 -0.105 -14.381 -18.705 909 HB3 ASP 110 HB3 ASP 110 1.061 -13.885 -17.489 910 H THR 111 H THR 111 -1.925 -17.184 -16.044 911 HA THR 111 HA THR 111 -4.240 -16.271 -17.451 912 HB THR 111 HB THR 111 -3.396 -19.030 -18.230 913 HG1 THR 111 HG1 THR 111 -1.634 -17.892 -18.893 914 HG21 THR 111 HG21 THR 111 -4.627 -18.520 -20.273 915 HG22 THR 111 HG22 THR 111 -4.980 -16.906 -19.655 916 HG23 THR 111 HG23 THR 111 -5.632 -18.326 -18.837 917 H LYS 112 H LYS 112 -6.137 -17.182 -16.693 918 HA LYS 112 HA LYS 112 -6.092 -18.243 -14.094 919 HB2 LYS 112 HB2 LYS 112 -8.011 -17.167 -15.785 920 HB3 LYS 112 HB3 LYS 112 -8.546 -18.827 -15.557 921 HG2 LYS 112 HG2 LYS 112 -8.054 -18.245 -13.020 922 HG3 LYS 112 HG3 LYS 112 -8.352 -16.607 -13.604 923 HD2 LYS 112 HD2 LYS 112 -10.541 -17.119 -14.266 924 HD3 LYS 112 HD3 LYS 112 -10.241 -18.857 -14.218 925 HE2 LYS 112 HE2 LYS 112 -10.569 -18.987 -11.982 926 HE3 LYS 112 HE3 LYS 112 -9.867 -17.398 -11.679 927 HZ1 LYS 112 HZ1 LYS 112 -12.441 -17.869 -11.439 928 HZ2 LYS 112 HZ2 LYS 112 -12.423 -17.483 -13.086 929 HZ3 LYS 112 HZ3 LYS 112 -11.850 -16.368 -11.950 930 H LEU 113 H LEU 113 -5.799 -20.245 -13.377 931 HA LEU 113 HA LEU 113 -5.213 -22.402 -15.077 932 HB2 LEU 113 HB2 LEU 113 -4.615 -21.972 -12.574 933 HB3 LEU 113 HB3 LEU 113 -6.125 -22.803 -12.254 934 HG LEU 113 HG LEU 113 -4.921 -24.543 -13.976 935 HD11 LEU 113 HD11 LEU 113 -2.818 -23.622 -14.178 936 HD12 LEU 113 HD12 LEU 113 -2.592 -24.749 -12.840 937 HD13 LEU 113 HD13 LEU 113 -2.802 -23.027 -12.518 938 HD21 LEU 113 HD21 LEU 113 -5.855 -25.490 -12.115 939 HD22 LEU 113 HD22 LEU 113 -5.111 -24.330 -11.014 940 HD23 LEU 113 HD23 LEU 113 -4.145 -25.632 -11.709 941 H SER 114 H SER 114 -6.462 -23.844 -16.075 942 HA SER 114 HA SER 114 -9.273 -23.612 -16.082 943 HB2 SER 114 HB2 SER 114 -8.190 -24.421 -18.060 944 HB3 SER 114 HB3 SER 114 -7.426 -25.740 -17.173 945 HG SER 114 HG SER 114 -10.235 -25.475 -17.349 946 H LEU 115 H LEU 115 -10.644 -24.284 -14.574 947 HA LEU 115 HA LEU 115 -9.961 -25.898 -12.403 948 HB2 LEU 115 HB2 LEU 115 -12.531 -26.082 -12.219 949 HB3 LEU 115 HB3 LEU 115 -11.767 -24.526 -12.000 950 HG LEU 115 HG LEU 115 -12.355 -23.958 -14.349 951 HD11 LEU 115 HD11 LEU 115 -12.564 -25.949 -15.504 952 HD12 LEU 115 HD12 LEU 115 -14.243 -25.461 -15.281 953 HD13 LEU 115 HD13 LEU 115 -13.539 -26.700 -14.242 954 HD21 LEU 115 HD21 LEU 115 -13.864 -23.006 -12.939 955 HD22 LEU 115 HD22 LEU 115 -14.362 -24.549 -12.246 956 HD23 LEU 115 HD23 LEU 115 -14.940 -24.072 -13.842 957 H GLU 116 H GLU 116 -10.567 -28.024 -11.857 958 HA GLU 116 HA GLU 116 -11.241 -29.743 -14.154 959 HB2 GLU 116 HB2 GLU 116 -8.828 -29.749 -12.920 960 HB3 GLU 116 HB3 GLU 116 -9.679 -30.942 -11.949 961 HG2 GLU 116 HG2 GLU 116 -9.131 -32.432 -13.491 962 HG3 GLU 116 HG3 GLU 116 -10.292 -31.640 -14.555 Start of MODEL 7 1 H1 HIS 1 H1 HIS 1 11.213 -15.997 0.550 2 H2 HIS 1 H2 HIS 1 10.998 -14.575 -0.386 3 H3 HIS 1 H3 HIS 1 12.396 -15.546 -0.606 4 HA HIS 1 HA HIS 1 11.047 -16.042 -2.377 5 HB2 HIS 1 HB2 HIS 1 10.788 -18.049 -0.135 6 HB3 HIS 1 HB3 HIS 1 10.299 -18.405 -1.788 7 HD1 HIS 1 HD1 HIS 1 12.133 -18.924 -3.471 8 HD2 HIS 1 HD2 HIS 1 13.592 -17.757 0.241 9 HE1 HIS 1 HE1 HIS 1 14.599 -19.411 -3.535 10 HE2 HIS 1 HE2 HIS 1 15.475 -18.617 -1.310 11 H SER 2 H SER 2 9.123 -15.788 -3.336 12 HA SER 2 HA SER 2 6.915 -15.339 -3.644 13 HB2 SER 2 HB2 SER 2 6.277 -16.771 -1.080 14 HB3 SER 2 HB3 SER 2 5.366 -16.738 -2.590 15 HG SER 2 HG SER 2 7.189 -17.925 -3.504 16 H VAL 3 H VAL 3 6.629 -13.196 -3.404 17 HA VAL 3 HA VAL 3 5.850 -12.240 -0.738 18 HB VAL 3 HB VAL 3 6.993 -10.067 -1.237 19 HG11 VAL 3 HG11 VAL 3 8.719 -12.528 -1.001 20 HG12 VAL 3 HG12 VAL 3 7.982 -11.621 0.320 21 HG13 VAL 3 HG13 VAL 3 9.254 -10.883 -0.654 22 HG21 VAL 3 HG21 VAL 3 8.866 -10.173 -2.894 23 HG22 VAL 3 HG22 VAL 3 7.254 -10.197 -3.608 24 HG23 VAL 3 HG23 VAL 3 8.183 -11.690 -3.480 25 HA PRO 4 HA PRO 4 2.401 -10.496 -2.881 26 HB2 PRO 4 HB2 PRO 4 1.731 -8.486 -1.192 27 HB3 PRO 4 HB3 PRO 4 1.446 -10.188 -0.810 28 HG2 PRO 4 HG2 PRO 4 3.675 -8.396 0.078 29 HG3 PRO 4 HG3 PRO 4 2.732 -9.560 1.026 30 HD2 PRO 4 HD2 PRO 4 5.207 -10.117 0.085 31 HD3 PRO 4 HD3 PRO 4 3.953 -11.361 0.265 32 H GLU 5 H GLU 5 1.942 -8.914 -4.356 33 HA GLU 5 HA GLU 5 3.442 -6.429 -4.337 34 HB2 GLU 5 HB2 GLU 5 4.280 -8.618 -5.908 35 HB3 GLU 5 HB3 GLU 5 3.551 -7.461 -7.013 36 HG2 GLU 5 HG2 GLU 5 5.025 -5.729 -6.262 37 HG3 GLU 5 HG3 GLU 5 5.668 -6.774 -4.998 38 H SER 6 H SER 6 0.751 -6.901 -3.893 39 HA SER 6 HA SER 6 -0.441 -5.101 -5.726 40 HB2 SER 6 HB2 SER 6 -1.993 -6.489 -6.865 41 HB3 SER 6 HB3 SER 6 -0.439 -7.308 -7.019 42 HG SER 6 HG SER 6 -1.098 -8.587 -5.176 43 H ILE 7 H ILE 7 -2.289 -4.203 -4.890 44 HA ILE 7 HA ILE 7 -2.999 -5.069 -2.191 45 HB ILE 7 HB ILE 7 -3.829 -2.554 -3.648 46 HG12 ILE 7 HG12 ILE 7 -2.197 -1.441 -2.104 47 HG13 ILE 7 HG13 ILE 7 -1.635 -3.035 -1.628 48 HG21 ILE 7 HG21 ILE 7 -3.856 -2.663 -0.709 49 HG22 ILE 7 HG22 ILE 7 -5.063 -3.662 -1.516 50 HG23 ILE 7 HG23 ILE 7 -5.001 -1.928 -1.830 51 HD11 ILE 7 HD11 ILE 7 -0.366 -1.671 -3.440 52 HD12 ILE 7 HD12 ILE 7 -1.625 -2.286 -4.508 53 HD13 ILE 7 HD13 ILE 7 -0.585 -3.409 -3.633 54 H ARG 8 H ARG 8 -4.165 -6.955 -2.996 55 HA ARG 8 HA ARG 8 -6.666 -6.416 -4.395 56 HB2 ARG 8 HB2 ARG 8 -4.907 -8.513 -4.532 57 HB3 ARG 8 HB3 ARG 8 -6.159 -9.163 -3.482 58 HG2 ARG 8 HG2 ARG 8 -6.556 -8.031 -6.244 59 HG3 ARG 8 HG3 ARG 8 -6.605 -9.735 -5.786 60 HD2 ARG 8 HD2 ARG 8 -8.416 -7.813 -4.403 61 HD3 ARG 8 HD3 ARG 8 -8.815 -8.330 -6.040 62 HE ARG 8 HE ARG 8 -8.959 -9.905 -3.636 63 HH11 ARG 8 HH11 ARG 8 -8.686 -9.998 -7.114 64 HH12 ARG 8 HH12 ARG 8 -9.341 -11.596 -7.247 65 HH21 ARG 8 HH21 ARG 8 -9.821 -12.005 -3.809 66 HH22 ARG 8 HH22 ARG 8 -9.986 -12.735 -5.371 67 H PHE 9 H PHE 9 -8.389 -5.873 -3.252 68 HA PHE 9 HA PHE 9 -9.061 -7.361 -0.843 69 HB2 PHE 9 HB2 PHE 9 -9.563 -5.203 0.377 70 HB3 PHE 9 HB3 PHE 9 -7.851 -5.555 0.151 71 HD1 PHE 9 HD1 PHE 9 -6.797 -4.526 -2.020 72 HD2 PHE 9 HD2 PHE 9 -10.328 -3.093 -0.129 73 HE1 PHE 9 HE1 PHE 9 -6.476 -2.338 -3.093 74 HE2 PHE 9 HE2 PHE 9 -10.016 -0.899 -1.200 75 HZ PHE 9 HZ PHE 9 -8.087 -0.519 -2.684 76 H GLY 10 H GLY 10 -10.819 -8.194 -1.974 77 HA2 GLY 10 HA2 GLY 10 -13.105 -8.186 -2.387 78 HA3 GLY 10 HA3 GLY 10 -13.125 -6.458 -2.069 79 HA PRO 11 HA PRO 11 -13.662 -6.704 -6.586 80 HB2 PRO 11 HB2 PRO 11 -15.366 -4.659 -6.839 81 HB3 PRO 11 HB3 PRO 11 -15.899 -6.225 -6.216 82 HG2 PRO 11 HG2 PRO 11 -15.243 -3.716 -4.725 83 HG3 PRO 11 HG3 PRO 11 -16.572 -4.859 -4.463 84 HD2 PRO 11 HD2 PRO 11 -14.230 -4.827 -3.007 85 HD3 PRO 11 HD3 PRO 11 -15.279 -6.246 -3.190 86 H ASN 12 H ASN 12 -11.304 -5.649 -5.563 87 HA ASN 12 HA ASN 12 -10.675 -3.677 -7.497 88 HB2 ASN 12 HB2 ASN 12 -11.325 -2.779 -4.745 89 HB3 ASN 12 HB3 ASN 12 -9.886 -2.079 -5.479 90 HD21 ASN 12 HD21 ASN 12 -12.974 -1.467 -4.938 91 HD22 ASN 12 HD22 ASN 12 -13.375 -0.524 -6.329 92 H VAL 13 H VAL 13 -8.476 -3.483 -7.793 93 HA VAL 13 HA VAL 13 -6.694 -4.667 -5.801 94 HB VAL 13 HB VAL 13 -7.242 -6.503 -7.336 95 HG11 VAL 13 HG11 VAL 13 -7.373 -4.632 -9.286 96 HG12 VAL 13 HG12 VAL 13 -7.227 -6.365 -9.579 97 HG13 VAL 13 HG13 VAL 13 -5.791 -5.341 -9.611 98 HG21 VAL 13 HG21 VAL 13 -4.443 -5.407 -7.464 99 HG22 VAL 13 HG22 VAL 13 -4.878 -7.005 -8.071 100 HG23 VAL 13 HG23 VAL 13 -5.089 -6.623 -6.362 101 H PHE 14 H PHE 14 -5.374 -3.030 -5.371 102 HA PHE 14 HA PHE 14 -4.665 -1.062 -7.353 103 HB2 PHE 14 HB2 PHE 14 -4.893 -0.998 -4.631 104 HB3 PHE 14 HB3 PHE 14 -3.149 -1.102 -4.826 105 HD1 PHE 14 HD1 PHE 14 -2.743 0.473 -7.283 106 HD2 PHE 14 HD2 PHE 14 -5.279 1.168 -3.938 107 HE1 PHE 14 HE1 PHE 14 -2.657 2.892 -7.724 108 HE2 PHE 14 HE2 PHE 14 -5.194 3.586 -4.375 109 HZ PHE 14 HZ PHE 14 -3.886 4.450 -6.266 110 H TYR 15 H TYR 15 -2.856 -0.973 -8.551 111 HA TYR 15 HA TYR 15 -0.955 -3.175 -8.311 112 HB2 TYR 15 HB2 TYR 15 -1.383 -1.080 -10.449 113 HB3 TYR 15 HB3 TYR 15 -0.080 -2.263 -10.497 114 HD1 TYR 15 HD1 TYR 15 -1.319 -4.733 -9.674 115 HD2 TYR 15 HD2 TYR 15 -2.912 -1.619 -12.097 116 HE1 TYR 15 HE1 TYR 15 -2.823 -6.350 -10.754 117 HE2 TYR 15 HE2 TYR 15 -4.421 -3.228 -13.183 118 HH TYR 15 HH TYR 15 -4.321 -5.875 -13.567 119 H VAL 16 H VAL 16 0.703 -2.870 -6.995 120 HA VAL 16 HA VAL 16 1.576 -0.410 -5.999 121 HB VAL 16 HB VAL 16 3.697 -1.717 -5.393 122 HG11 VAL 16 HG11 VAL 16 2.669 -2.581 -3.506 123 HG12 VAL 16 HG12 VAL 16 1.219 -3.059 -4.391 124 HG13 VAL 16 HG13 VAL 16 1.518 -1.356 -4.040 125 HG21 VAL 16 HG21 VAL 16 3.163 -3.404 -7.291 126 HG22 VAL 16 HG22 VAL 16 2.095 -4.141 -6.098 127 HG23 VAL 16 HG23 VAL 16 3.821 -3.998 -5.767 128 H LEU 17 H LEU 17 2.215 -1.867 -9.035 129 HA LEU 17 HA LEU 17 4.513 -0.072 -9.445 130 HB2 LEU 17 HB2 LEU 17 3.805 -2.456 -11.140 131 HB3 LEU 17 HB3 LEU 17 5.305 -1.548 -11.137 132 HG LEU 17 HG LEU 17 4.587 -2.815 -8.568 133 HD11 LEU 17 HD11 LEU 17 5.819 -4.653 -10.527 134 HD12 LEU 17 HD12 LEU 17 4.080 -4.393 -10.663 135 HD13 LEU 17 HD13 LEU 17 4.767 -4.992 -9.153 136 HD21 LEU 17 HD21 LEU 17 6.948 -3.220 -8.469 137 HD22 LEU 17 HD22 LEU 17 6.689 -1.563 -9.013 138 HD23 LEU 17 HD23 LEU 17 7.137 -2.812 -10.175 139 H LYS 18 H LYS 18 1.311 -0.861 -10.503 140 HA LYS 18 HA LYS 18 1.580 0.806 -12.889 141 HB2 LYS 18 HB2 LYS 18 0.229 -1.526 -12.478 142 HB3 LYS 18 HB3 LYS 18 -1.056 -0.345 -12.271 143 HG2 LYS 18 HG2 LYS 18 -1.084 0.204 -14.449 144 HG3 LYS 18 HG3 LYS 18 0.668 0.070 -14.614 145 HD2 LYS 18 HD2 LYS 18 0.427 -2.401 -14.561 146 HD3 LYS 18 HD3 LYS 18 -1.325 -2.193 -14.548 147 HE2 LYS 18 HE2 LYS 18 -1.405 -1.685 -16.739 148 HE3 LYS 18 HE3 LYS 18 0.072 -0.725 -16.672 149 HZ1 LYS 18 HZ1 LYS 18 1.057 -3.173 -16.346 150 HZ2 LYS 18 HZ2 LYS 18 0.879 -2.438 -17.859 151 HZ3 LYS 18 HZ3 LYS 18 -0.286 -3.534 -17.309 152 H LEU 19 H LEU 19 0.230 0.874 -9.694 153 HA LEU 19 HA LEU 19 -0.884 2.465 -8.518 154 HB2 LEU 19 HB2 LEU 19 -0.011 4.398 -10.656 155 HB3 LEU 19 HB3 LEU 19 -0.412 4.759 -8.991 156 HG LEU 19 HG LEU 19 1.829 4.838 -8.766 157 HD11 LEU 19 HD11 LEU 19 2.521 3.079 -7.562 158 HD12 LEU 19 HD12 LEU 19 2.171 1.925 -8.848 159 HD13 LEU 19 HD13 LEU 19 0.875 2.502 -7.804 160 HD21 LEU 19 HD21 LEU 19 3.425 3.989 -10.250 161 HD22 LEU 19 HD22 LEU 19 2.061 4.474 -11.257 162 HD23 LEU 19 HD23 LEU 19 2.316 2.770 -10.878 163 H THR 20 H THR 20 -2.516 0.985 -10.066 164 HA THR 20 HA THR 20 -4.689 2.828 -10.569 165 HB THR 20 HB THR 20 -4.148 0.892 -12.782 166 HG1 THR 20 HG1 THR 20 -2.910 3.426 -12.499 167 HG21 THR 20 HG21 THR 20 -5.909 1.910 -13.639 168 HG22 THR 20 HG22 THR 20 -4.948 3.384 -13.753 169 HG23 THR 20 HG23 THR 20 -5.933 3.082 -12.322 170 H VAL 21 H VAL 21 -6.092 1.915 -9.186 171 HA VAL 21 HA VAL 21 -6.212 -0.879 -8.668 172 HB VAL 21 HB VAL 21 -8.522 0.924 -8.053 173 HG11 VAL 21 HG11 VAL 21 -8.497 -1.518 -7.490 174 HG12 VAL 21 HG12 VAL 21 -8.741 -0.443 -6.112 175 HG13 VAL 21 HG13 VAL 21 -7.163 -1.184 -6.384 176 HG21 VAL 21 HG21 VAL 21 -6.892 1.170 -5.852 177 HG22 VAL 21 HG22 VAL 21 -7.166 2.411 -7.074 178 HG23 VAL 21 HG23 VAL 21 -5.766 1.346 -7.199 179 H GLU 22 H GLU 22 -7.232 -2.432 -9.732 180 HA GLU 22 HA GLU 22 -8.680 -1.882 -12.121 181 HB2 GLU 22 HB2 GLU 22 -7.247 -3.970 -11.421 182 HB3 GLU 22 HB3 GLU 22 -8.774 -4.552 -10.772 183 HG2 GLU 22 HG2 GLU 22 -8.912 -3.523 -13.515 184 HG3 GLU 22 HG3 GLU 22 -7.913 -4.961 -13.303 185 H THR 23 H THR 23 -10.472 -0.639 -11.551 186 HA THR 23 HA THR 23 -12.412 -1.737 -9.686 187 HB THR 23 HB THR 23 -12.874 0.723 -11.339 188 HG1 THR 23 HG1 THR 23 -10.817 1.037 -10.536 189 HG21 THR 23 HG21 THR 23 -14.695 0.192 -9.927 190 HG22 THR 23 HG22 THR 23 -13.834 1.536 -9.178 191 HG23 THR 23 HG23 THR 23 -13.630 -0.100 -8.553 192 HA PRO 24 HA PRO 24 -14.775 -3.761 -12.844 193 HB2 PRO 24 HB2 PRO 24 -17.165 -3.917 -11.562 194 HB3 PRO 24 HB3 PRO 24 -15.787 -4.944 -11.159 195 HG2 PRO 24 HG2 PRO 24 -16.743 -2.450 -9.814 196 HG3 PRO 24 HG3 PRO 24 -16.207 -3.979 -9.090 197 HD2 PRO 24 HD2 PRO 24 -14.605 -1.827 -9.245 198 HD3 PRO 24 HD3 PRO 24 -13.972 -3.476 -9.377 199 H GLU 25 H GLU 25 -15.728 -0.702 -11.474 200 HA GLU 25 HA GLU 25 -17.652 -0.241 -13.629 201 HB2 GLU 25 HB2 GLU 25 -17.269 0.800 -10.918 202 HB3 GLU 25 HB3 GLU 25 -17.626 2.051 -12.101 203 HG2 GLU 25 HG2 GLU 25 -19.524 0.356 -12.797 204 HG3 GLU 25 HG3 GLU 25 -19.313 -0.189 -11.134 205 H GLY 26 H GLY 26 -14.660 1.083 -12.273 206 HA2 GLY 26 HA2 GLY 26 -14.022 2.206 -14.885 207 HA3 GLY 26 HA3 GLY 26 -14.177 3.358 -13.568 208 H SER 27 H SER 27 -12.189 4.013 -13.072 209 HA SER 27 HA SER 27 -10.258 2.035 -12.176 210 HB2 SER 27 HB2 SER 27 -9.925 3.682 -14.629 211 HB3 SER 27 HB3 SER 27 -8.518 3.522 -13.577 212 HG SER 27 HG SER 27 -9.570 1.731 -15.287 213 H VAL 28 H VAL 28 -8.262 3.189 -11.266 214 HA VAL 28 HA VAL 28 -8.985 5.809 -10.145 215 HB VAL 28 HB VAL 28 -7.744 3.599 -8.509 216 HG11 VAL 28 HG11 VAL 28 -8.578 6.414 -7.969 217 HG12 VAL 28 HG12 VAL 28 -7.108 5.565 -7.489 218 HG13 VAL 28 HG13 VAL 28 -8.632 5.221 -6.671 219 HG21 VAL 28 HG21 VAL 28 -10.037 3.002 -9.113 220 HG22 VAL 28 HG22 VAL 28 -10.604 4.559 -8.510 221 HG23 VAL 28 HG23 VAL 28 -9.906 3.383 -7.396 222 H HIS 29 H HIS 29 -7.501 7.085 -11.086 223 HA HIS 29 HA HIS 29 -4.722 6.178 -11.245 224 HB2 HIS 29 HB2 HIS 29 -6.380 7.767 -12.924 225 HB3 HIS 29 HB3 HIS 29 -5.077 8.799 -12.346 226 HD1 HIS 29 HD1 HIS 29 -4.473 5.156 -12.939 227 HD2 HIS 29 HD2 HIS 29 -3.804 8.792 -14.834 228 HE1 HIS 29 HE1 HIS 29 -2.894 4.648 -14.828 229 HE2 HIS 29 HE2 HIS 29 -2.580 6.846 -16.019 230 H LEU 30 H LEU 30 -3.024 7.288 -10.287 231 HA LEU 30 HA LEU 30 -3.323 9.743 -8.911 232 HB2 LEU 30 HB2 LEU 30 -3.252 9.034 -6.632 233 HB3 LEU 30 HB3 LEU 30 -4.628 8.276 -7.405 234 HG LEU 30 HG LEU 30 -3.815 6.534 -6.157 235 HD11 LEU 30 HD11 LEU 30 -2.569 4.982 -7.602 236 HD12 LEU 30 HD12 LEU 30 -2.264 6.301 -8.729 237 HD13 LEU 30 HD13 LEU 30 -3.915 5.755 -8.439 238 HD21 LEU 30 HD21 LEU 30 -0.992 6.513 -6.627 239 HD22 LEU 30 HD22 LEU 30 -1.874 6.648 -5.106 240 HD23 LEU 30 HD23 LEU 30 -1.492 8.097 -6.034 241 H THR 31 H THR 31 -1.369 10.149 -7.429 242 HA THR 31 HA THR 31 0.969 9.633 -8.949 243 HB THR 31 HB THR 31 0.914 10.697 -6.129 244 HG1 THR 31 HG1 THR 31 -0.506 12.007 -7.088 245 HG21 THR 31 HG21 THR 31 2.859 11.859 -6.644 246 HG22 THR 31 HG22 THR 31 2.653 11.624 -8.380 247 HG23 THR 31 HG23 THR 31 3.111 10.264 -7.353 248 HA PRO 32 HA PRO 32 2.218 5.738 -7.261 249 HB2 PRO 32 HB2 PRO 32 4.898 5.927 -7.823 250 HB3 PRO 32 HB3 PRO 32 3.665 5.472 -9.003 251 HG2 PRO 32 HG2 PRO 32 4.954 8.131 -8.540 252 HG3 PRO 32 HG3 PRO 32 4.567 7.324 -10.072 253 HD2 PRO 32 HD2 PRO 32 3.030 9.295 -9.092 254 HD3 PRO 32 HD3 PRO 32 2.328 7.913 -9.961 255 H SER 33 H SER 33 3.280 8.760 -6.063 256 HA SER 33 HA SER 33 5.042 7.710 -4.069 257 HB2 SER 33 HB2 SER 33 5.341 9.922 -3.344 258 HB3 SER 33 HB3 SER 33 5.012 10.105 -5.067 259 HG SER 33 HG SER 33 2.828 10.549 -4.505 260 H GLU 34 H GLU 34 1.655 8.381 -4.285 261 HA GLU 34 HA GLU 34 1.265 8.055 -1.434 262 HB2 GLU 34 HB2 GLU 34 -0.676 8.479 -3.709 263 HB3 GLU 34 HB3 GLU 34 -1.181 8.263 -2.040 264 HG2 GLU 34 HG2 GLU 34 -1.006 10.449 -1.777 265 HG3 GLU 34 HG3 GLU 34 0.739 10.278 -1.958 266 H SER 35 H SER 35 0.528 6.343 -4.401 267 HA SER 35 HA SER 35 -0.495 4.062 -2.969 268 HB2 SER 35 HB2 SER 35 -1.100 3.201 -5.011 269 HB3 SER 35 HB3 SER 35 -0.999 4.902 -5.449 270 HG SER 35 HG SER 35 0.944 2.889 -5.874 271 H GLY 36 H GLY 36 2.546 5.328 -3.703 272 HA2 GLY 36 HA2 GLY 36 3.941 2.822 -3.930 273 HA3 GLY 36 HA3 GLY 36 4.669 4.412 -3.777 274 H ILE 37 H ILE 37 2.940 4.950 -1.375 275 HA ILE 37 HA ILE 37 4.792 3.887 0.551 276 HB ILE 37 HB ILE 37 3.880 6.158 0.798 277 HG12 ILE 37 HG12 ILE 37 4.651 4.706 2.758 278 HG13 ILE 37 HG13 ILE 37 3.676 6.118 3.145 279 HG21 ILE 37 HG21 ILE 37 1.367 4.788 0.499 280 HG22 ILE 37 HG22 ILE 37 1.730 6.509 0.400 281 HG23 ILE 37 HG23 ILE 37 1.380 5.770 1.962 282 HD11 ILE 37 HD11 ILE 37 1.895 3.962 2.792 283 HD12 ILE 37 HD12 ILE 37 2.302 4.817 4.278 284 HD13 ILE 37 HD13 ILE 37 3.222 3.391 3.802 285 H LEU 38 H LEU 38 1.580 3.127 -0.516 286 HA LEU 38 HA LEU 38 1.050 1.322 1.669 287 HB2 LEU 38 HB2 LEU 38 -0.939 0.668 0.375 288 HB3 LEU 38 HB3 LEU 38 -0.830 2.403 0.599 289 HG LEU 38 HG LEU 38 0.185 2.478 -1.749 290 HD11 LEU 38 HD11 LEU 38 0.693 0.446 -2.556 291 HD12 LEU 38 HD12 LEU 38 -1.019 0.378 -2.977 292 HD13 LEU 38 HD13 LEU 38 -0.447 -0.374 -1.488 293 HD21 LEU 38 HD21 LEU 38 -2.085 3.229 -1.178 294 HD22 LEU 38 HD22 LEU 38 -2.680 1.593 -1.454 295 HD23 LEU 38 HD23 LEU 38 -1.998 2.521 -2.789 296 H LYS 39 H LYS 39 2.916 1.245 -1.112 297 HA LYS 39 HA LYS 39 2.622 -1.531 -1.748 298 HB2 LYS 39 HB2 LYS 39 3.268 -0.235 -3.583 299 HB3 LYS 39 HB3 LYS 39 4.441 0.675 -2.645 300 HG2 LYS 39 HG2 LYS 39 4.880 -2.241 -3.066 301 HG3 LYS 39 HG3 LYS 39 5.212 -1.116 -4.383 302 HD2 LYS 39 HD2 LYS 39 7.029 -0.256 -3.364 303 HD3 LYS 39 HD3 LYS 39 6.291 -0.327 -1.763 304 HE2 LYS 39 HE2 LYS 39 6.977 -2.493 -1.396 305 HE3 LYS 39 HE3 LYS 39 7.073 -2.866 -3.117 306 HZ1 LYS 39 HZ1 LYS 39 8.955 -1.026 -2.955 307 HZ2 LYS 39 HZ2 LYS 39 9.267 -2.666 -2.684 308 HZ3 LYS 39 HZ3 LYS 39 9.047 -1.620 -1.373 309 H ARG 40 H ARG 40 4.751 0.432 0.207 310 HA ARG 40 HA ARG 40 6.643 -1.662 0.683 311 HB2 ARG 40 HB2 ARG 40 6.231 1.105 1.635 312 HB3 ARG 40 HB3 ARG 40 7.062 0.034 2.756 313 HG2 ARG 40 HG2 ARG 40 8.788 -0.407 1.170 314 HG3 ARG 40 HG3 ARG 40 7.904 0.432 -0.105 315 HD2 ARG 40 HD2 ARG 40 8.225 2.185 2.130 316 HD3 ARG 40 HD3 ARG 40 9.791 1.495 1.706 317 HE ARG 40 HE ARG 40 8.241 3.365 0.166 318 HH11 ARG 40 HH11 ARG 40 10.720 0.911 0.042 319 HH12 ARG 40 HH12 ARG 40 11.424 1.519 -1.419 320 HH21 ARG 40 HH21 ARG 40 9.164 4.164 -1.756 321 HH22 ARG 40 HH22 ARG 40 10.541 3.366 -2.440 322 H LEU 41 H LEU 41 3.724 -0.579 2.208 323 HA LEU 41 HA LEU 41 4.096 -2.218 4.555 324 HB2 LEU 41 HB2 LEU 41 1.731 -0.658 3.514 325 HB3 LEU 41 HB3 LEU 41 1.690 -1.591 4.998 326 HG LEU 41 HG LEU 41 3.410 0.824 4.432 327 HD11 LEU 41 HD11 LEU 41 1.473 0.580 6.681 328 HD12 LEU 41 HD12 LEU 41 0.869 0.934 5.062 329 HD13 LEU 41 HD13 LEU 41 2.035 2.016 5.825 330 HD21 LEU 41 HD21 LEU 41 3.549 -1.256 6.544 331 HD22 LEU 41 HD22 LEU 41 3.798 0.422 7.024 332 HD23 LEU 41 HD23 LEU 41 4.836 -0.309 5.799 333 H LEU 42 H LEU 42 2.952 -2.624 1.373 334 HA LEU 42 HA LEU 42 1.199 -4.831 1.893 335 HB2 LEU 42 HB2 LEU 42 1.963 -3.219 -0.359 336 HB3 LEU 42 HB3 LEU 42 2.098 -4.914 -0.784 337 HG LEU 42 HG LEU 42 -0.088 -3.933 -1.372 338 HD11 LEU 42 HD11 LEU 42 -0.125 -6.100 0.716 339 HD12 LEU 42 HD12 LEU 42 0.039 -6.304 -1.028 340 HD13 LEU 42 HD13 LEU 42 -1.475 -5.705 -0.349 341 HD21 LEU 42 HD21 LEU 42 -0.493 -2.330 0.296 342 HD22 LEU 42 HD22 LEU 42 -0.241 -3.495 1.595 343 HD23 LEU 42 HD23 LEU 42 -1.684 -3.599 0.584 344 H ILE 43 H ILE 43 4.582 -4.371 1.317 345 HA ILE 43 HA ILE 43 5.192 -7.030 0.524 346 HB ILE 43 HB ILE 43 7.162 -5.304 1.988 347 HG12 ILE 43 HG12 ILE 43 6.205 -3.731 0.466 348 HG13 ILE 43 HG13 ILE 43 7.704 -4.290 -0.268 349 HG21 ILE 43 HG21 ILE 43 7.556 -7.024 -0.445 350 HG22 ILE 43 HG22 ILE 43 7.646 -7.662 1.197 351 HG23 ILE 43 HG23 ILE 43 8.775 -6.412 0.673 352 HD11 ILE 43 HD11 ILE 43 4.899 -4.736 -1.103 353 HD12 ILE 43 HD12 ILE 43 6.068 -6.018 -1.417 354 HD13 ILE 43 HD13 ILE 43 6.335 -4.402 -2.071 355 H ASN 44 H ASN 44 4.724 -5.467 3.611 356 HA ASN 44 HA ASN 44 5.675 -7.846 5.021 357 HB2 ASN 44 HB2 ASN 44 5.187 -6.397 7.080 358 HB3 ASN 44 HB3 ASN 44 6.526 -5.906 6.049 359 HD21 ASN 44 HD21 ASN 44 3.102 -5.325 6.677 360 HD22 ASN 44 HD22 ASN 44 3.119 -3.660 6.218 361 H LYS 45 H LYS 45 2.788 -6.048 4.319 362 HA LYS 45 HA LYS 45 0.577 -6.388 4.786 363 HB2 LYS 45 HB2 LYS 45 1.608 -9.185 4.358 364 HB3 LYS 45 HB3 LYS 45 -0.101 -8.839 4.580 365 HG2 LYS 45 HG2 LYS 45 0.634 -7.062 2.618 366 HG3 LYS 45 HG3 LYS 45 1.593 -8.494 2.243 367 HD2 LYS 45 HD2 LYS 45 -0.251 -9.204 1.181 368 HD3 LYS 45 HD3 LYS 45 -0.843 -9.589 2.798 369 HE2 LYS 45 HE2 LYS 45 -1.289 -6.809 2.168 370 HE3 LYS 45 HE3 LYS 45 -1.995 -7.853 0.936 371 HZ1 LYS 45 HZ1 LYS 45 -2.866 -7.368 3.606 372 HZ2 LYS 45 HZ2 LYS 45 -2.672 -9.023 3.319 373 HZ3 LYS 45 HZ3 LYS 45 -3.689 -8.106 2.326 374 H GLY 46 H GLY 46 0.645 -5.578 6.940 375 HA2 GLY 46 HA2 GLY 46 -0.270 -5.875 9.079 376 HA3 GLY 46 HA3 GLY 46 -0.074 -7.612 8.897 377 H GLN 47 H GLN 47 1.785 -4.620 9.336 378 HA GLN 47 HA GLN 47 3.542 -6.076 11.173 379 HB2 GLN 47 HB2 GLN 47 4.356 -5.444 8.623 380 HB3 GLN 47 HB3 GLN 47 4.950 -4.077 9.554 381 HG2 GLN 47 HG2 GLN 47 6.226 -5.504 10.974 382 HG3 GLN 47 HG3 GLN 47 5.489 -6.945 10.275 383 HE21 GLN 47 HE21 GLN 47 7.508 -4.157 9.504 384 HE22 GLN 47 HE22 GLN 47 8.419 -4.933 8.259 385 H LEU 48 H LEU 48 4.810 -4.623 12.571 386 HA LEU 48 HA LEU 48 3.194 -2.306 13.308 387 HB2 LEU 48 HB2 LEU 48 4.278 -4.272 14.825 388 HB3 LEU 48 HB3 LEU 48 5.527 -3.049 14.959 389 HG LEU 48 HG LEU 48 3.909 -2.947 16.810 390 HD11 LEU 48 HD11 LEU 48 3.236 -0.484 16.397 391 HD12 LEU 48 HD12 LEU 48 4.172 -0.652 14.911 392 HD13 LEU 48 HD13 LEU 48 4.946 -0.906 16.475 393 HD21 LEU 48 HD21 LEU 48 1.635 -2.412 16.501 394 HD22 LEU 48 HD22 LEU 48 1.975 -3.713 15.361 395 HD23 LEU 48 HD23 LEU 48 1.871 -2.047 14.792 396 H CYS 49 H CYS 49 4.077 -1.248 11.299 397 HA CYS 49 HA CYS 49 6.810 -0.279 11.526 398 HB2 CYS 49 HB2 CYS 49 4.734 0.374 9.426 399 HB3 CYS 49 HB3 CYS 49 6.463 0.693 9.333 400 HG CYS 49 HG CYS 49 6.460 -2.143 9.523 401 H LEU 50 H LEU 50 6.778 1.087 13.294 402 HA LEU 50 HA LEU 50 4.921 2.943 14.052 403 HB2 LEU 50 HB2 LEU 50 7.895 3.435 14.137 404 HB3 LEU 50 HB3 LEU 50 6.680 4.136 15.186 405 HG LEU 50 HG LEU 50 7.483 2.545 16.598 406 HD11 LEU 50 HD11 LEU 50 5.908 0.911 16.888 407 HD12 LEU 50 HD12 LEU 50 5.813 0.541 15.166 408 HD13 LEU 50 HD13 LEU 50 5.046 1.997 15.798 409 HD21 LEU 50 HD21 LEU 50 8.539 1.412 14.158 410 HD22 LEU 50 HD22 LEU 50 7.959 0.161 15.256 411 HD23 LEU 50 HD23 LEU 50 9.163 1.327 15.805 412 H ARG 51 H ARG 51 5.190 5.394 13.952 413 HA ARG 51 HA ARG 51 4.820 6.217 11.290 414 HB2 ARG 51 HB2 ARG 51 5.083 8.583 12.402 415 HB3 ARG 51 HB3 ARG 51 3.666 7.593 12.713 416 HG2 ARG 51 HG2 ARG 51 4.278 7.147 14.871 417 HG3 ARG 51 HG3 ARG 51 5.999 7.356 14.545 418 HD2 ARG 51 HD2 ARG 51 5.245 9.841 14.065 419 HD3 ARG 51 HD3 ARG 51 3.908 9.391 15.123 420 HE ARG 51 HE ARG 51 6.084 8.601 16.517 421 HH11 ARG 51 HH11 ARG 51 5.198 11.612 14.992 422 HH12 ARG 51 HH12 ARG 51 6.072 12.588 16.125 423 HH21 ARG 51 HH21 ARG 51 7.234 9.882 18.008 424 HH22 ARG 51 HH22 ARG 51 7.229 11.606 17.837 425 H LYS 52 H LYS 52 7.474 6.820 13.524 426 HA LYS 52 HA LYS 52 9.063 8.284 11.720 427 HB2 LYS 52 HB2 LYS 52 9.299 8.161 14.252 428 HB3 LYS 52 HB3 LYS 52 10.133 6.634 13.996 429 HG2 LYS 52 HG2 LYS 52 12.025 7.640 13.382 430 HG3 LYS 52 HG3 LYS 52 11.182 8.803 12.358 431 HD2 LYS 52 HD2 LYS 52 10.481 9.920 14.570 432 HD3 LYS 52 HD3 LYS 52 11.767 8.955 15.297 433 HE2 LYS 52 HE2 LYS 52 12.750 10.217 12.924 434 HE3 LYS 52 HE3 LYS 52 11.987 11.426 13.955 435 HZ1 LYS 52 HZ1 LYS 52 14.179 11.342 14.681 436 HZ2 LYS 52 HZ2 LYS 52 14.268 9.656 14.577 437 HZ3 LYS 52 HZ3 LYS 52 13.362 10.379 15.809 438 H HIS 53 H HIS 53 8.326 5.015 11.819 439 HA HIS 53 HA HIS 53 10.765 4.155 10.516 440 HB2 HIS 53 HB2 HIS 53 9.429 2.842 12.255 441 HB3 HIS 53 HB3 HIS 53 8.277 2.550 10.960 442 HD1 HIS 53 HD1 HIS 53 12.077 2.280 11.107 443 HD2 HIS 53 HD2 HIS 53 8.737 0.061 10.019 444 HE1 HIS 53 HE1 HIS 53 12.975 0.104 10.221 445 HE2 HIS 53 HE2 HIS 53 10.932 -1.260 9.663 446 H LEU 54 H LEU 54 7.380 4.648 9.823 447 HA LEU 54 HA LEU 54 7.517 3.695 7.140 448 HB2 LEU 54 HB2 LEU 54 5.436 3.775 8.546 449 HB3 LEU 54 HB3 LEU 54 5.437 5.517 8.342 450 HG LEU 54 HG LEU 54 5.524 4.773 5.757 451 HD11 LEU 54 HD11 LEU 54 3.618 2.746 6.795 452 HD12 LEU 54 HD12 LEU 54 5.335 2.341 6.768 453 HD13 LEU 54 HD13 LEU 54 4.511 2.789 5.275 454 HD21 LEU 54 HD21 LEU 54 3.824 6.202 6.092 455 HD22 LEU 54 HD22 LEU 54 3.413 5.506 7.659 456 HD23 LEU 54 HD23 LEU 54 2.840 4.741 6.177 457 H LEU 55 H LEU 55 8.047 6.744 8.702 458 HA LEU 55 HA LEU 55 7.975 8.236 6.228 459 HB2 LEU 55 HB2 LEU 55 8.915 10.085 7.654 460 HB3 LEU 55 HB3 LEU 55 7.346 9.472 8.138 461 HG LEU 55 HG LEU 55 8.826 7.958 9.734 462 HD11 LEU 55 HD11 LEU 55 10.573 9.932 10.480 463 HD12 LEU 55 HD12 LEU 55 10.687 9.935 8.719 464 HD13 LEU 55 HD13 LEU 55 10.980 8.447 9.620 465 HD21 LEU 55 HD21 LEU 55 7.430 9.127 11.010 466 HD22 LEU 55 HD22 LEU 55 7.534 10.554 9.978 467 HD23 LEU 55 HD23 LEU 55 8.764 10.262 11.208 468 H GLU 56 H GLU 56 10.239 6.330 7.923 469 HA GLU 56 HA GLU 56 12.573 7.619 6.826 470 HB2 GLU 56 HB2 GLU 56 12.036 5.361 8.666 471 HB3 GLU 56 HB3 GLU 56 13.522 5.265 7.732 472 HG2 GLU 56 HG2 GLU 56 12.794 7.693 9.334 473 HG3 GLU 56 HG3 GLU 56 13.660 6.324 10.030 474 H GLU 57 H GLU 57 10.343 5.199 5.839 475 HA GLU 57 HA GLU 57 12.192 3.984 3.969 476 HB2 GLU 57 HB2 GLU 57 10.119 2.710 3.234 477 HB3 GLU 57 HB3 GLU 57 10.650 2.444 4.888 478 HG2 GLU 57 HG2 GLU 57 8.923 3.826 5.751 479 HG3 GLU 57 HG3 GLU 57 8.493 4.397 4.140 480 H ILE 58 H ILE 58 9.570 6.272 3.937 481 HA ILE 58 HA ILE 58 9.616 6.461 1.045 482 HB ILE 58 HB ILE 58 8.252 8.676 2.343 483 HG12 ILE 58 HG12 ILE 58 7.545 5.866 3.176 484 HG13 ILE 58 HG13 ILE 58 7.772 7.285 4.191 485 HG21 ILE 58 HG21 ILE 58 8.068 7.707 -0.025 486 HG22 ILE 58 HG22 ILE 58 6.583 8.206 0.783 487 HG23 ILE 58 HG23 ILE 58 7.009 6.497 0.700 488 HD11 ILE 58 HD11 ILE 58 5.487 6.823 2.291 489 HD12 ILE 58 HD12 ILE 58 5.714 8.247 3.307 490 HD13 ILE 58 HD13 ILE 58 5.432 6.671 4.047 491 H LYS 59 H LYS 59 11.062 7.938 3.785 492 HA LYS 59 HA LYS 59 11.876 10.365 2.524 493 HB2 LYS 59 HB2 LYS 59 11.737 10.263 4.940 494 HB3 LYS 59 HB3 LYS 59 12.887 8.934 4.990 495 HG2 LYS 59 HG2 LYS 59 14.690 10.298 4.592 496 HG3 LYS 59 HG3 LYS 59 13.718 11.524 3.775 497 HD2 LYS 59 HD2 LYS 59 12.965 12.439 5.767 498 HD3 LYS 59 HD3 LYS 59 13.289 10.965 6.682 499 HE2 LYS 59 HE2 LYS 59 15.783 11.561 5.896 500 HE3 LYS 59 HE3 LYS 59 15.098 13.185 5.940 501 HZ1 LYS 59 HZ1 LYS 59 14.470 12.857 8.223 502 HZ2 LYS 59 HZ2 LYS 59 16.120 12.523 8.054 503 HZ3 LYS 59 HZ3 LYS 59 15.011 11.254 8.194 504 H ASN 60 H ASN 60 13.178 7.126 2.853 505 HA ASN 60 HA ASN 60 15.745 7.811 1.776 506 HB2 ASN 60 HB2 ASN 60 14.880 5.731 3.274 507 HB3 ASN 60 HB3 ASN 60 14.849 4.993 1.675 508 HD21 ASN 60 HD21 ASN 60 16.964 7.092 3.606 509 HD22 ASN 60 HD22 ASN 60 18.431 6.278 3.192 510 H HIS 61 H HIS 61 12.736 7.576 0.434 511 HA HIS 61 HA HIS 61 13.845 7.134 -2.214 512 HB2 HIS 61 HB2 HIS 61 12.555 5.107 -1.150 513 HB3 HIS 61 HB3 HIS 61 11.131 6.046 -1.581 514 HD1 HIS 61 HD1 HIS 61 12.957 3.382 -2.858 515 HD2 HIS 61 HD2 HIS 61 11.578 6.919 -4.547 516 HE1 HIS 61 HE1 HIS 61 12.899 2.965 -5.337 517 HE2 HIS 61 HE2 HIS 61 11.974 5.087 -6.330 518 H ALA 62 H ALA 62 13.329 9.586 -0.997 519 HA ALA 62 HA ALA 62 12.407 11.607 -1.491 520 HB1 ALA 62 HB1 ALA 62 11.237 11.936 -3.569 521 HB2 ALA 62 HB2 ALA 62 10.983 10.199 -3.745 522 HB3 ALA 62 HB3 ALA 62 12.613 10.866 -3.843 523 H LYS 63 H LYS 63 11.289 11.431 0.533 524 HA LYS 63 HA LYS 63 8.644 10.377 0.701 525 HB2 LYS 63 HB2 LYS 63 8.582 11.614 2.882 526 HB3 LYS 63 HB3 LYS 63 9.942 10.514 2.713 527 HG2 LYS 63 HG2 LYS 63 11.469 12.261 2.424 528 HG3 LYS 63 HG3 LYS 63 10.196 13.429 2.066 529 HD2 LYS 63 HD2 LYS 63 9.424 12.743 4.518 530 HD3 LYS 63 HD3 LYS 63 11.145 12.384 4.677 531 HE2 LYS 63 HE2 LYS 63 11.377 14.765 3.552 532 HE3 LYS 63 HE3 LYS 63 9.773 14.988 4.249 533 HZ1 LYS 63 HZ1 LYS 63 10.793 14.217 6.403 534 HZ2 LYS 63 HZ2 LYS 63 11.294 15.737 5.853 535 HZ3 LYS 63 HZ3 LYS 63 12.305 14.394 5.663 536 H ALA 64 H ALA 64 8.102 11.601 -1.397 537 HA ALA 64 HA ALA 64 6.780 13.148 -2.419 538 HB1 ALA 64 HB1 ALA 64 5.679 14.786 -0.535 539 HB2 ALA 64 HB2 ALA 64 6.018 13.332 0.404 540 HB3 ALA 64 HB3 ALA 64 5.011 13.234 -1.040 541 H ILE 65 H ILE 65 8.494 14.213 -3.416 542 HA ILE 65 HA ILE 65 9.823 16.386 -2.041 543 HB ILE 65 HB ILE 65 10.865 16.618 -4.428 544 HG12 ILE 65 HG12 ILE 65 10.086 13.714 -4.532 545 HG13 ILE 65 HG13 ILE 65 9.160 14.961 -5.362 546 HG21 ILE 65 HG21 ILE 65 12.361 16.031 -2.806 547 HG22 ILE 65 HG22 ILE 65 12.363 14.559 -3.777 548 HG23 ILE 65 HG23 ILE 65 11.415 14.634 -2.292 549 HD11 ILE 65 HD11 ILE 65 11.074 13.598 -6.559 550 HD12 ILE 65 HD12 ILE 65 12.080 14.861 -5.849 551 HD13 ILE 65 HD13 ILE 65 10.760 15.292 -6.937 552 H VAL 66 H VAL 66 7.067 16.791 -2.357 553 HA VAL 66 HA VAL 66 7.103 19.278 -3.847 554 HB VAL 66 HB VAL 66 4.923 17.278 -4.437 555 HG11 VAL 66 HG11 VAL 66 5.513 19.476 -6.292 556 HG12 VAL 66 HG12 VAL 66 4.909 19.975 -4.712 557 HG13 VAL 66 HG13 VAL 66 3.965 18.866 -5.707 558 HG21 VAL 66 HG21 VAL 66 5.985 16.991 -6.645 559 HG22 VAL 66 HG22 VAL 66 6.987 16.386 -5.326 560 HG23 VAL 66 HG23 VAL 66 7.364 17.935 -6.080 561 H ALA 67 H ALA 67 6.995 18.758 -1.094 562 HA ALA 67 HA ALA 67 5.881 19.394 0.783 563 HB1 ALA 67 HB1 ALA 67 5.406 21.356 -0.915 564 HB2 ALA 67 HB2 ALA 67 4.611 21.292 0.658 565 HB3 ALA 67 HB3 ALA 67 3.752 20.756 -0.786 566 H ARG 68 H ARG 68 5.378 16.974 0.662 567 HA ARG 68 HA ARG 68 2.587 16.638 1.286 568 HB2 ARG 68 HB2 ARG 68 3.811 15.209 -1.077 569 HB3 ARG 68 HB3 ARG 68 2.314 14.707 -0.303 570 HG2 ARG 68 HG2 ARG 68 1.368 16.947 -0.817 571 HG3 ARG 68 HG3 ARG 68 2.837 17.305 -1.726 572 HD2 ARG 68 HD2 ARG 68 2.390 15.378 -3.180 573 HD3 ARG 68 HD3 ARG 68 0.908 15.053 -2.281 574 HE ARG 68 HE ARG 68 0.582 17.610 -3.088 575 HH11 ARG 68 HH11 ARG 68 1.417 14.672 -4.778 576 HH12 ARG 68 HH12 ARG 68 0.688 15.173 -6.266 577 HH21 ARG 68 HH21 ARG 68 -0.377 18.270 -5.045 578 HH22 ARG 68 HH22 ARG 68 -0.330 17.216 -6.418 579 H ASN 69 H ASN 69 4.456 16.440 3.097 580 HA ASN 69 HA ASN 69 6.024 14.279 3.524 581 HB2 ASN 69 HB2 ASN 69 5.401 14.476 5.970 582 HB3 ASN 69 HB3 ASN 69 5.923 15.969 5.196 583 HD21 ASN 69 HD21 ASN 69 4.526 17.649 5.014 584 HD22 ASN 69 HD22 ASN 69 2.938 17.655 5.694 585 H VAL 70 H VAL 70 5.711 12.307 4.840 586 HA VAL 70 HA VAL 70 3.861 10.588 3.700 587 HB VAL 70 HB VAL 70 5.913 9.848 4.876 588 HG11 VAL 70 HG11 VAL 70 5.058 9.468 7.492 589 HG12 VAL 70 HG12 VAL 70 4.615 11.133 7.116 590 HG13 VAL 70 HG13 VAL 70 6.286 10.604 6.932 591 HG21 VAL 70 HG21 VAL 70 3.467 8.512 6.009 592 HG22 VAL 70 HG22 VAL 70 5.030 7.782 5.642 593 HG23 VAL 70 HG23 VAL 70 3.985 8.334 4.333 594 H ASP 71 H ASP 71 3.500 12.720 6.398 595 HA ASP 71 HA ASP 71 1.290 11.518 7.640 596 HB2 ASP 71 HB2 ASP 71 2.826 13.693 8.192 597 HB3 ASP 71 HB3 ASP 71 1.342 14.464 7.641 598 H VAL 72 H VAL 72 1.255 14.378 5.582 599 HA VAL 72 HA VAL 72 -1.498 14.394 5.115 600 HB VAL 72 HB VAL 72 0.584 15.388 3.169 601 HG11 VAL 72 HG11 VAL 72 -1.765 15.325 2.386 602 HG12 VAL 72 HG12 VAL 72 -1.107 16.959 2.480 603 HG13 VAL 72 HG13 VAL 72 -2.208 16.379 3.729 604 HG21 VAL 72 HG21 VAL 72 0.246 17.584 4.414 605 HG22 VAL 72 HG22 VAL 72 1.226 16.355 5.213 606 HG23 VAL 72 HG23 VAL 72 -0.446 16.612 5.713 607 H HIS 73 H HIS 73 0.989 12.417 3.818 608 HA HIS 73 HA HIS 73 -0.383 11.646 1.434 609 HB2 HIS 73 HB2 HIS 73 2.163 11.054 2.714 610 HB3 HIS 73 HB3 HIS 73 1.425 9.615 2.019 611 HD1 HIS 73 HD1 HIS 73 0.996 12.971 0.405 612 HD2 HIS 73 HD2 HIS 73 3.235 9.506 -0.098 613 HE1 HIS 73 HE1 HIS 73 2.075 13.190 -1.856 614 HE2 HIS 73 HE2 HIS 73 3.498 11.125 -2.098 615 H ILE 74 H ILE 74 -0.312 10.574 4.736 616 HA ILE 74 HA ILE 74 -1.482 8.024 4.291 617 HB ILE 74 HB ILE 74 -1.234 9.746 6.745 618 HG12 ILE 74 HG12 ILE 74 -0.074 7.060 5.971 619 HG13 ILE 74 HG13 ILE 74 0.782 8.597 5.943 620 HG21 ILE 74 HG21 ILE 74 -3.274 8.662 7.176 621 HG22 ILE 74 HG22 ILE 74 -2.057 7.678 7.989 622 HG23 ILE 74 HG23 ILE 74 -2.725 7.154 6.443 623 HD11 ILE 74 HD11 ILE 74 -0.420 7.930 8.524 624 HD12 ILE 74 HD12 ILE 74 1.188 8.544 8.139 625 HD13 ILE 74 HD13 ILE 74 0.840 6.821 7.985 626 H ALA 75 H ALA 75 -2.740 11.234 4.721 627 HA ALA 75 HA ALA 75 -5.441 10.443 5.131 628 HB1 ALA 75 HB1 ALA 75 -4.816 12.588 5.948 629 HB2 ALA 75 HB2 ALA 75 -5.942 12.852 4.617 630 HB3 ALA 75 HB3 ALA 75 -4.211 13.076 4.365 631 H SER 76 H SER 76 -3.649 11.708 2.388 632 HA SER 76 HA SER 76 -5.772 11.509 0.529 633 HB2 SER 76 HB2 SER 76 -3.010 11.177 -0.495 634 HB3 SER 76 HB3 SER 76 -4.275 12.295 -1.007 635 HG SER 76 HG SER 76 -2.862 13.594 -0.020 636 H LEU 77 H LEU 77 -3.587 9.251 1.907 637 HA LEU 77 HA LEU 77 -3.667 7.237 -0.059 638 HB2 LEU 77 HB2 LEU 77 -2.636 7.577 2.606 639 HB3 LEU 77 HB3 LEU 77 -3.417 6.015 2.469 640 HG LEU 77 HG LEU 77 -0.916 6.118 2.000 641 HD11 LEU 77 HD11 LEU 77 -2.907 4.897 0.117 642 HD12 LEU 77 HD12 LEU 77 -2.034 4.137 1.449 643 HD13 LEU 77 HD13 LEU 77 -1.175 4.595 -0.022 644 HD21 LEU 77 HD21 LEU 77 -0.091 7.311 0.308 645 HD22 LEU 77 HD22 LEU 77 -1.645 8.142 0.275 646 HD23 LEU 77 HD23 LEU 77 -1.356 6.772 -0.796 647 H ARG 78 H ARG 78 -5.711 8.062 2.642 648 HA ARG 78 HA ARG 78 -7.283 5.742 2.704 649 HB2 ARG 78 HB2 ARG 78 -7.291 8.310 3.955 650 HB3 ARG 78 HB3 ARG 78 -8.919 7.961 3.388 651 HG2 ARG 78 HG2 ARG 78 -9.088 6.036 4.709 652 HG3 ARG 78 HG3 ARG 78 -7.347 5.974 4.992 653 HD2 ARG 78 HD2 ARG 78 -7.457 7.416 6.707 654 HD3 ARG 78 HD3 ARG 78 -8.610 8.460 5.878 655 HE ARG 78 HE ARG 78 -10.102 6.310 6.563 656 HH11 ARG 78 HH11 ARG 78 -7.988 8.424 8.363 657 HH12 ARG 78 HH12 ARG 78 -8.864 8.244 9.846 658 HH21 ARG 78 HH21 ARG 78 -11.256 6.072 8.512 659 HH22 ARG 78 HH22 ARG 78 -10.719 6.908 9.931 660 H LYS 79 H LYS 79 -7.279 8.451 0.564 661 HA LYS 79 HA LYS 79 -9.863 7.762 -0.555 662 HB2 LYS 79 HB2 LYS 79 -7.909 9.967 -1.157 663 HB3 LYS 79 HB3 LYS 79 -9.365 9.703 -2.105 664 HG2 LYS 79 HG2 LYS 79 -10.769 10.293 -0.344 665 HG3 LYS 79 HG3 LYS 79 -9.501 10.070 0.863 666 HD2 LYS 79 HD2 LYS 79 -9.054 12.244 0.739 667 HD3 LYS 79 HD3 LYS 79 -8.555 12.017 -0.938 668 HE2 LYS 79 HE2 LYS 79 -11.272 12.780 0.106 669 HE3 LYS 79 HE3 LYS 79 -10.208 13.717 -0.943 670 HZ1 LYS 79 HZ1 LYS 79 -10.540 11.524 -2.408 671 HZ2 LYS 79 HZ2 LYS 79 -11.540 12.882 -2.532 672 HZ3 LYS 79 HZ3 LYS 79 -12.029 11.555 -1.604 673 H LYS 80 H LYS 80 -6.546 8.037 -1.689 674 HA LYS 80 HA LYS 80 -6.977 7.012 -4.257 675 HB2 LYS 80 HB2 LYS 80 -4.516 7.068 -2.525 676 HB3 LYS 80 HB3 LYS 80 -4.499 6.476 -4.180 677 HG2 LYS 80 HG2 LYS 80 -4.835 8.566 -5.077 678 HG3 LYS 80 HG3 LYS 80 -5.589 9.191 -3.610 679 HD2 LYS 80 HD2 LYS 80 -3.102 8.582 -2.706 680 HD3 LYS 80 HD3 LYS 80 -2.753 9.052 -4.370 681 HE2 LYS 80 HE2 LYS 80 -4.283 10.691 -2.351 682 HE3 LYS 80 HE3 LYS 80 -2.612 10.960 -2.843 683 HZ1 LYS 80 HZ1 LYS 80 -3.824 10.987 -5.206 684 HZ2 LYS 80 HZ2 LYS 80 -3.586 12.378 -4.273 685 HZ3 LYS 80 HZ3 LYS 80 -5.079 11.585 -4.242 686 H LEU 81 H LEU 81 -5.511 5.377 -1.507 687 HA LEU 81 HA LEU 81 -5.604 2.796 -2.645 688 HB2 LEU 81 HB2 LEU 81 -4.050 3.321 -0.873 689 HB3 LEU 81 HB3 LEU 81 -5.364 3.685 0.226 690 HG LEU 81 HG LEU 81 -5.958 1.412 0.448 691 HD11 LEU 81 HD11 LEU 81 -4.401 -0.239 -0.963 692 HD12 LEU 81 HD12 LEU 81 -4.505 1.105 -2.101 693 HD13 LEU 81 HD13 LEU 81 -5.976 0.320 -1.525 694 HD21 LEU 81 HD21 LEU 81 -4.203 0.783 1.695 695 HD22 LEU 81 HD22 LEU 81 -3.518 2.336 1.218 696 HD23 LEU 81 HD23 LEU 81 -3.080 0.871 0.339 697 H GLY 82 H GLY 82 -7.659 4.314 -0.151 698 HA2 GLY 82 HA2 GLY 82 -10.061 4.041 -0.268 699 HA3 GLY 82 HA3 GLY 82 -9.796 2.445 -0.951 700 H ALA 83 H ALA 83 -10.990 1.323 0.547 701 HA ALA 83 HA ALA 83 -10.972 1.666 3.303 702 HB1 ALA 83 HB1 ALA 83 -12.130 -0.347 3.457 703 HB2 ALA 83 HB2 ALA 83 -11.304 -1.037 2.059 704 HB3 ALA 83 HB3 ALA 83 -12.513 0.227 1.834 705 H TYR 84 H TYR 84 -8.596 0.269 1.267 706 HA TYR 84 HA TYR 84 -7.306 -1.274 3.324 707 HB2 TYR 84 HB2 TYR 84 -7.282 -1.596 0.704 708 HB3 TYR 84 HB3 TYR 84 -5.921 -0.487 0.792 709 HD1 TYR 84 HD1 TYR 84 -3.924 -1.121 2.195 710 HD2 TYR 84 HD2 TYR 84 -7.033 -3.873 1.267 711 HE1 TYR 84 HE1 TYR 84 -2.430 -2.989 2.760 712 HE2 TYR 84 HE2 TYR 84 -5.547 -5.750 1.829 713 HH TYR 84 HH TYR 84 -2.650 -5.365 3.495 714 H GLY 85 H GLY 85 -7.094 1.940 1.990 715 HA2 GLY 85 HA2 GLY 85 -4.530 2.657 2.895 716 HA3 GLY 85 HA3 GLY 85 -5.858 3.775 2.611 717 H SER 86 H SER 86 -7.643 2.550 4.498 718 HA SER 86 HA SER 86 -6.851 3.935 6.843 719 HB2 SER 86 HB2 SER 86 -9.197 2.427 5.921 720 HB3 SER 86 HB3 SER 86 -8.903 2.291 7.654 721 HG SER 86 HG SER 86 -9.964 4.328 6.317 722 H ARG 87 H ARG 87 -6.118 0.845 5.631 723 HA ARG 87 HA ARG 87 -5.995 -0.835 7.789 724 HB2 ARG 87 HB2 ARG 87 -5.329 -1.379 5.440 725 HB3 ARG 87 HB3 ARG 87 -3.808 -0.546 5.724 726 HG2 ARG 87 HG2 ARG 87 -2.992 -2.201 7.072 727 HG3 ARG 87 HG3 ARG 87 -4.597 -2.727 7.584 728 HD2 ARG 87 HD2 ARG 87 -4.969 -3.605 5.285 729 HD3 ARG 87 HD3 ARG 87 -3.294 -3.207 4.909 730 HE ARG 87 HE ARG 87 -2.910 -4.754 6.995 731 HH11 ARG 87 HH11 ARG 87 -5.154 -5.206 4.354 732 HH12 ARG 87 HH12 ARG 87 -5.128 -6.933 4.468 733 HH21 ARG 87 HH21 ARG 87 -2.881 -7.025 7.140 734 HH22 ARG 87 HH22 ARG 87 -3.841 -7.965 6.047 735 H ILE 88 H ILE 88 -4.007 1.948 7.130 736 HA ILE 88 HA ILE 88 -1.913 1.407 8.960 737 HB ILE 88 HB ILE 88 -2.912 4.135 8.131 738 HG12 ILE 88 HG12 ILE 88 -0.616 2.933 6.714 739 HG13 ILE 88 HG13 ILE 88 -2.179 2.203 6.366 740 HG21 ILE 88 HG21 ILE 88 -0.054 3.485 8.639 741 HG22 ILE 88 HG22 ILE 88 -1.134 3.686 10.019 742 HG23 ILE 88 HG23 ILE 88 -0.926 5.002 8.863 743 HD11 ILE 88 HD11 ILE 88 -1.236 4.984 5.842 744 HD12 ILE 88 HD12 ILE 88 -2.959 4.632 5.978 745 HD13 ILE 88 HD13 ILE 88 -1.989 3.828 4.743 746 H VAL 89 H VAL 89 -2.808 0.697 10.911 747 HA VAL 89 HA VAL 89 -4.701 2.374 12.324 748 HB VAL 89 HB VAL 89 -3.326 -0.153 13.237 749 HG11 VAL 89 HG11 VAL 89 -5.713 1.316 14.337 750 HG12 VAL 89 HG12 VAL 89 -4.140 1.124 15.110 751 HG13 VAL 89 HG13 VAL 89 -5.177 -0.281 14.860 752 HG21 VAL 89 HG21 VAL 89 -5.721 0.345 11.570 753 HG22 VAL 89 HG22 VAL 89 -5.831 -0.935 12.777 754 HG23 VAL 89 HG23 VAL 89 -4.577 -0.996 11.539 755 H THR 90 H THR 90 -4.191 3.905 13.737 756 HA THR 90 HA THR 90 -1.416 4.066 14.691 757 HB THR 90 HB THR 90 -3.283 6.344 15.074 758 HG1 THR 90 HG1 THR 90 -3.814 6.325 13.050 759 HG21 THR 90 HG21 THR 90 -0.643 6.605 13.768 760 HG22 THR 90 HG22 THR 90 -0.674 6.160 15.474 761 HG23 THR 90 HG23 THR 90 -1.443 7.654 14.938 762 H LEU 91 H LEU 91 -1.679 2.571 16.396 763 HA LEU 91 HA LEU 91 -3.684 2.983 18.413 764 HB2 LEU 91 HB2 LEU 91 -1.530 1.041 17.881 765 HB3 LEU 91 HB3 LEU 91 -1.895 1.305 19.576 766 HG LEU 91 HG LEU 91 -4.397 0.967 18.461 767 HD11 LEU 91 HD11 LEU 91 -2.967 -1.368 17.380 768 HD12 LEU 91 HD12 LEU 91 -2.799 0.128 16.461 769 HD13 LEU 91 HD13 LEU 91 -4.402 -0.535 16.783 770 HD21 LEU 91 HD21 LEU 91 -3.018 -0.059 20.511 771 HD22 LEU 91 HD22 LEU 91 -3.008 -1.455 19.433 772 HD23 LEU 91 HD23 LEU 91 -4.540 -0.742 19.938 773 H ARG 92 H ARG 92 -3.529 4.072 20.286 774 HA ARG 92 HA ARG 92 -1.275 5.814 20.677 775 HB2 ARG 92 HB2 ARG 92 -2.576 6.573 22.688 776 HB3 ARG 92 HB3 ARG 92 -3.433 6.719 21.160 777 HG2 ARG 92 HG2 ARG 92 -4.857 4.943 21.646 778 HG3 ARG 92 HG3 ARG 92 -3.795 4.317 22.909 779 HD2 ARG 92 HD2 ARG 92 -4.853 7.057 23.279 780 HD3 ARG 92 HD3 ARG 92 -6.005 5.731 23.431 781 HE ARG 92 HE ARG 92 -3.952 4.930 24.990 782 HH11 ARG 92 HH11 ARG 92 -5.796 7.889 24.828 783 HH12 ARG 92 HH12 ARG 92 -5.612 8.242 26.513 784 HH21 ARG 92 HH21 ARG 92 -3.710 5.394 27.207 785 HH22 ARG 92 HH22 ARG 92 -4.428 6.826 27.864 786 H GLY 93 H GLY 93 0.193 3.878 20.881 787 HA2 GLY 93 HA2 GLY 93 1.321 3.650 23.338 788 HA3 GLY 93 HA3 GLY 93 0.089 2.398 23.354 789 H VAL 94 H VAL 94 0.290 1.714 20.581 790 HA VAL 94 HA VAL 94 2.750 0.141 20.710 791 HB VAL 94 HB VAL 94 0.623 -0.145 18.603 792 HG11 VAL 94 HG11 VAL 94 2.825 -1.848 19.700 793 HG12 VAL 94 HG12 VAL 94 2.459 -1.435 18.024 794 HG13 VAL 94 HG13 VAL 94 1.440 -2.584 18.893 795 HG21 VAL 94 HG21 VAL 94 -0.573 -1.705 19.968 796 HG22 VAL 94 HG22 VAL 94 -0.422 -0.197 20.870 797 HG23 VAL 94 HG23 VAL 94 0.619 -1.567 21.261 798 H GLY 95 H GLY 95 1.006 2.273 18.465 799 HA2 GLY 95 HA2 GLY 95 2.597 3.969 17.438 800 HA3 GLY 95 HA3 GLY 95 3.501 2.556 16.916 801 H TYR 96 H TYR 96 3.005 1.661 15.009 802 HA TYR 96 HA TYR 96 0.463 2.449 13.751 803 HB2 TYR 96 HB2 TYR 96 3.210 2.794 12.812 804 HB3 TYR 96 HB3 TYR 96 2.185 1.978 11.638 805 HD1 TYR 96 HD1 TYR 96 -0.419 3.360 12.255 806 HD2 TYR 96 HD2 TYR 96 3.526 4.880 11.795 807 HE1 TYR 96 HE1 TYR 96 -1.343 5.531 11.567 808 HE2 TYR 96 HE2 TYR 96 2.614 7.057 11.105 809 HH TYR 96 HH TYR 96 -0.528 7.969 11.589 810 H LEU 97 H LEU 97 -0.770 0.695 13.673 811 HA LEU 97 HA LEU 97 0.489 -1.894 13.075 812 HB2 LEU 97 HB2 LEU 97 -0.765 -1.714 15.206 813 HB3 LEU 97 HB3 LEU 97 -2.214 -1.335 14.299 814 HG LEU 97 HG LEU 97 -1.873 -3.743 15.164 815 HD11 LEU 97 HD11 LEU 97 -3.194 -4.602 13.414 816 HD12 LEU 97 HD12 LEU 97 -2.526 -3.462 12.247 817 HD13 LEU 97 HD13 LEU 97 -3.594 -2.889 13.527 818 HD21 LEU 97 HD21 LEU 97 -0.423 -4.187 12.600 819 HD22 LEU 97 HD22 LEU 97 -0.472 -5.181 14.056 820 HD23 LEU 97 HD23 LEU 97 0.491 -3.704 14.029 821 H PHE 98 H PHE 98 0.568 -1.649 10.837 822 HA PHE 98 HA PHE 98 -1.759 -0.975 9.307 823 HB2 PHE 98 HB2 PHE 98 0.599 -0.529 8.577 824 HB3 PHE 98 HB3 PHE 98 0.802 -2.261 8.344 825 HD1 PHE 98 HD1 PHE 98 -0.934 0.747 7.139 826 HD2 PHE 98 HD2 PHE 98 -0.102 -3.368 6.442 827 HE1 PHE 98 HE1 PHE 98 -1.827 0.957 4.856 828 HE2 PHE 98 HE2 PHE 98 -0.993 -3.165 4.158 829 HZ PHE 98 HZ PHE 98 -1.856 -1.000 3.362 830 H SER 99 H SER 99 -3.069 -2.680 10.469 831 HA SER 99 HA SER 99 -2.979 -5.161 8.892 832 HB2 SER 99 HB2 SER 99 -2.206 -5.185 11.468 833 HB3 SER 99 HB3 SER 99 -3.943 -5.386 11.690 834 HG SER 99 HG SER 99 -2.098 -7.070 10.416 835 H ASP 100 H ASP 100 -4.917 -5.939 8.212 836 HA ASP 100 HA ASP 100 -7.348 -4.615 9.179 837 HB2 ASP 100 HB2 ASP 100 -6.217 -4.076 6.712 838 HB3 ASP 100 HB3 ASP 100 -7.467 -5.258 6.337 839 H ASP 101 H ASP 101 -5.902 -7.356 7.571 840 HA ASP 101 HA ASP 101 -7.775 -9.142 8.782 841 HB2 ASP 101 HB2 ASP 101 -8.773 -8.188 6.530 842 HB3 ASP 101 HB3 ASP 101 -7.701 -9.383 5.806 843 H GLY 102 H GLY 102 -5.721 -9.237 5.865 844 HA2 GLY 102 HA2 GLY 102 -3.435 -10.159 6.144 845 HA3 GLY 102 HA3 GLY 102 -4.160 -11.368 7.192 846 H ASP 103 H ASP 103 -4.197 -10.155 3.861 847 HA ASP 103 HA ASP 103 -4.616 -12.898 2.967 848 HB2 ASP 103 HB2 ASP 103 -6.357 -10.654 2.555 849 HB3 ASP 103 HB3 ASP 103 -5.727 -11.196 1.003 850 H LYS 104 H LYS 104 -2.260 -12.855 2.804 851 HA LYS 104 HA LYS 104 -0.887 -11.094 1.100 852 HB2 LYS 104 HB2 LYS 104 0.838 -12.985 1.135 853 HB3 LYS 104 HB3 LYS 104 0.434 -12.229 2.663 854 HG2 LYS 104 HG2 LYS 104 -0.798 -14.077 3.379 855 HG3 LYS 104 HG3 LYS 104 -0.929 -14.735 1.747 856 HD2 LYS 104 HD2 LYS 104 1.724 -14.753 1.974 857 HD3 LYS 104 HD3 LYS 104 1.313 -14.875 3.686 858 HE2 LYS 104 HE2 LYS 104 -0.141 -16.809 3.148 859 HE3 LYS 104 HE3 LYS 104 0.410 -16.717 1.475 860 HZ1 LYS 104 HZ1 LYS 104 1.710 -18.351 2.550 861 HZ2 LYS 104 HZ2 LYS 104 2.028 -17.351 3.876 862 HZ3 LYS 104 HZ3 LYS 104 2.713 -17.000 2.370 863 H LYS 105 H LYS 105 -1.208 -10.907 -1.016 864 HA LYS 105 HA LYS 105 -2.399 -12.964 -2.584 865 HB2 LYS 105 HB2 LYS 105 -1.406 -10.203 -3.071 866 HB3 LYS 105 HB3 LYS 105 -1.574 -11.264 -4.463 867 HG2 LYS 105 HG2 LYS 105 -3.839 -10.975 -2.543 868 HG3 LYS 105 HG3 LYS 105 -3.540 -9.725 -3.753 869 HD2 LYS 105 HD2 LYS 105 -3.955 -12.659 -4.325 870 HD3 LYS 105 HD3 LYS 105 -5.166 -11.393 -4.534 871 HE2 LYS 105 HE2 LYS 105 -3.100 -10.367 -5.954 872 HE3 LYS 105 HE3 LYS 105 -2.846 -12.094 -6.202 873 HZ1 LYS 105 HZ1 LYS 105 -5.044 -10.390 -7.095 874 HZ2 LYS 105 HZ2 LYS 105 -5.424 -11.984 -6.676 875 HZ3 LYS 105 HZ3 LYS 105 -4.283 -11.678 -7.886 876 H PHE 106 H PHE 106 -1.324 -14.723 -3.198 877 HA PHE 106 HA PHE 106 1.523 -14.790 -3.384 878 HB2 PHE 106 HB2 PHE 106 -0.614 -16.694 -3.243 879 HB3 PHE 106 HB3 PHE 106 0.423 -17.101 -4.605 880 HD1 PHE 106 HD1 PHE 106 2.754 -17.703 -4.259 881 HD2 PHE 106 HD2 PHE 106 0.179 -16.841 -0.982 882 HE1 PHE 106 HE1 PHE 106 4.372 -18.738 -2.720 883 HE2 PHE 106 HE2 PHE 106 1.792 -17.873 0.562 884 HZ PHE 106 HZ PHE 106 3.892 -18.823 -0.306 885 H SER 107 H SER 107 1.235 -12.890 -5.035 886 HA SER 107 HA SER 107 0.596 -13.654 -7.713 887 HB2 SER 107 HB2 SER 107 1.338 -11.188 -6.306 888 HB3 SER 107 HB3 SER 107 1.976 -11.292 -7.946 889 HG SER 107 HG SER 107 -0.735 -11.826 -7.345 890 H GLN 108 H GLN 108 2.070 -15.500 -7.824 891 HA GLN 108 HA GLN 108 4.862 -15.261 -7.666 892 HB2 GLN 108 HB2 GLN 108 3.134 -17.332 -8.017 893 HB3 GLN 108 HB3 GLN 108 3.816 -17.196 -9.632 894 HG2 GLN 108 HG2 GLN 108 5.398 -18.551 -8.829 895 HG3 GLN 108 HG3 GLN 108 6.058 -17.076 -8.124 896 HE21 GLN 108 HE21 GLN 108 5.810 -16.695 -5.927 897 HE22 GLN 108 HE22 GLN 108 5.349 -17.939 -4.821 898 H GLN 109 H GLN 109 2.837 -15.449 -10.597 899 HA GLN 109 HA GLN 109 4.641 -13.590 -11.907 900 HB2 GLN 109 HB2 GLN 109 4.934 -16.239 -12.379 901 HB3 GLN 109 HB3 GLN 109 3.739 -15.833 -13.602 902 HG2 GLN 109 HG2 GLN 109 5.218 -14.726 -14.859 903 HG3 GLN 109 HG3 GLN 109 5.987 -13.970 -13.465 904 HE21 GLN 109 HE21 GLN 109 8.048 -14.339 -14.261 905 HE22 GLN 109 HE22 GLN 109 8.761 -15.912 -14.290 906 H ASP 110 H ASP 110 3.519 -13.698 -14.452 907 HA ASP 110 HA ASP 110 0.923 -12.468 -13.916 908 HB2 ASP 110 HB2 ASP 110 2.992 -11.589 -15.428 909 HB3 ASP 110 HB3 ASP 110 2.029 -12.403 -16.658 910 H THR 111 H THR 111 1.447 -15.435 -14.070 911 HA THR 111 HA THR 111 0.268 -16.401 -16.459 912 HB THR 111 HB THR 111 0.256 -17.887 -13.845 913 HG1 THR 111 HG1 THR 111 2.378 -18.366 -14.119 914 HG21 THR 111 HG21 THR 111 1.213 -19.323 -16.139 915 HG22 THR 111 HG22 THR 111 -0.384 -18.639 -16.447 916 HG23 THR 111 HG23 THR 111 -0.129 -19.693 -15.056 917 H LYS 112 H LYS 112 -1.778 -16.136 -17.043 918 HA LYS 112 HA LYS 112 -3.814 -15.183 -15.374 919 HB2 LYS 112 HB2 LYS 112 -3.950 -16.624 -18.024 920 HB3 LYS 112 HB3 LYS 112 -5.348 -15.905 -17.237 921 HG2 LYS 112 HG2 LYS 112 -4.160 -13.714 -17.291 922 HG3 LYS 112 HG3 LYS 112 -2.901 -14.485 -18.258 923 HD2 LYS 112 HD2 LYS 112 -4.424 -14.933 -20.030 924 HD3 LYS 112 HD3 LYS 112 -5.811 -14.483 -19.036 925 HE2 LYS 112 HE2 LYS 112 -5.057 -12.177 -18.985 926 HE3 LYS 112 HE3 LYS 112 -3.612 -12.608 -19.900 927 HZ1 LYS 112 HZ1 LYS 112 -6.423 -12.642 -20.838 928 HZ2 LYS 112 HZ2 LYS 112 -5.158 -13.362 -21.699 929 HZ3 LYS 112 HZ3 LYS 112 -5.148 -11.694 -21.420 930 H LEU 113 H LEU 113 -5.738 -16.222 -14.623 931 HA LEU 113 HA LEU 113 -5.263 -18.656 -13.287 932 HB2 LEU 113 HB2 LEU 113 -7.639 -16.896 -13.693 933 HB3 LEU 113 HB3 LEU 113 -7.882 -18.501 -13.032 934 HG LEU 113 HG LEU 113 -6.099 -17.844 -11.291 935 HD11 LEU 113 HD11 LEU 113 -5.511 -15.763 -12.673 936 HD12 LEU 113 HD12 LEU 113 -5.645 -15.591 -10.923 937 HD13 LEU 113 HD13 LEU 113 -6.963 -15.056 -11.965 938 HD21 LEU 113 HD21 LEU 113 -8.937 -17.038 -11.480 939 HD22 LEU 113 HD22 LEU 113 -7.991 -16.313 -10.179 940 HD23 LEU 113 HD23 LEU 113 -8.123 -18.067 -10.301 941 H SER 114 H SER 114 -4.603 -20.013 -15.085 942 HA SER 114 HA SER 114 -6.328 -20.717 -17.196 943 HB2 SER 114 HB2 SER 114 -4.724 -22.936 -16.828 944 HB3 SER 114 HB3 SER 114 -4.316 -21.528 -17.807 945 HG SER 114 HG SER 114 -3.632 -22.000 -15.095 946 H LEU 115 H LEU 115 -7.612 -22.571 -17.510 947 HA LEU 115 HA LEU 115 -9.246 -23.308 -15.386 948 HB2 LEU 115 HB2 LEU 115 -10.056 -25.059 -16.947 949 HB3 LEU 115 HB3 LEU 115 -10.047 -23.449 -17.622 950 HG LEU 115 HG LEU 115 -7.719 -24.181 -18.584 951 HD11 LEU 115 HD11 LEU 115 -7.209 -26.255 -17.863 952 HD12 LEU 115 HD12 LEU 115 -8.222 -26.740 -19.223 953 HD13 LEU 115 HD13 LEU 115 -8.895 -26.696 -17.594 954 HD21 LEU 115 HD21 LEU 115 -8.762 -24.348 -20.578 955 HD22 LEU 115 HD22 LEU 115 -10.171 -23.857 -19.638 956 HD23 LEU 115 HD23 LEU 115 -9.904 -25.562 -20.002 957 H GLU 116 H GLU 116 -9.380 -25.136 -14.112 958 HA GLU 116 HA GLU 116 -6.912 -26.721 -13.947 959 HB2 GLU 116 HB2 GLU 116 -8.035 -25.341 -11.973 960 HB3 GLU 116 HB3 GLU 116 -8.988 -26.810 -11.809 961 HG2 GLU 116 HG2 GLU 116 -7.348 -27.587 -10.540 962 HG3 GLU 116 HG3 GLU 116 -6.400 -27.739 -12.018 Start of MODEL 8 1 H1 HIS 1 H1 HIS 1 9.439 -14.858 -7.303 2 H2 HIS 1 H2 HIS 1 9.026 -15.221 -5.677 3 H3 HIS 1 H3 HIS 1 10.477 -14.374 -6.028 4 HA HIS 1 HA HIS 1 9.375 -12.475 -6.645 5 HB2 HIS 1 HB2 HIS 1 7.555 -14.153 -7.732 6 HB3 HIS 1 HB3 HIS 1 6.654 -13.610 -6.321 7 HD1 HIS 1 HD1 HIS 1 7.190 -12.755 -9.727 8 HD2 HIS 1 HD2 HIS 1 6.714 -10.581 -6.218 9 HE1 HIS 1 HE1 HIS 1 6.523 -10.442 -10.454 10 HE2 HIS 1 HE2 HIS 1 6.152 -9.170 -8.311 11 H SER 2 H SER 2 7.197 -14.434 -4.610 12 HA SER 2 HA SER 2 6.537 -14.233 -2.446 13 HB2 SER 2 HB2 SER 2 9.355 -13.375 -2.426 14 HB3 SER 2 HB3 SER 2 8.404 -12.797 -1.059 15 HG SER 2 HG SER 2 9.472 -15.140 -1.290 16 H VAL 3 H VAL 3 8.322 -11.172 -2.527 17 HA VAL 3 HA VAL 3 6.179 -9.696 -1.438 18 HB VAL 3 HB VAL 3 7.550 -7.684 -2.170 19 HG11 VAL 3 HG11 VAL 3 8.319 -9.814 -0.281 20 HG12 VAL 3 HG12 VAL 3 7.988 -8.106 0.005 21 HG13 VAL 3 HG13 VAL 3 9.553 -8.606 -0.635 22 HG21 VAL 3 HG21 VAL 3 9.434 -7.890 -3.387 23 HG22 VAL 3 HG22 VAL 3 8.691 -9.394 -3.933 24 HG23 VAL 3 HG23 VAL 3 9.879 -9.419 -2.629 25 HA PRO 4 HA PRO 4 3.972 -9.348 -5.379 26 HB2 PRO 4 HB2 PRO 4 1.927 -8.018 -3.750 27 HB3 PRO 4 HB3 PRO 4 1.810 -9.501 -4.701 28 HG2 PRO 4 HG2 PRO 4 1.793 -9.524 -2.008 29 HG3 PRO 4 HG3 PRO 4 2.521 -10.831 -2.960 30 HD2 PRO 4 HD2 PRO 4 3.851 -8.546 -1.551 31 HD3 PRO 4 HD3 PRO 4 4.334 -10.253 -1.632 32 H GLU 5 H GLU 5 2.668 -7.451 -6.351 33 HA GLU 5 HA GLU 5 3.970 -4.903 -5.673 34 HB2 GLU 5 HB2 GLU 5 4.231 -6.386 -8.063 35 HB3 GLU 5 HB3 GLU 5 3.234 -4.989 -8.444 36 HG2 GLU 5 HG2 GLU 5 4.969 -3.530 -7.468 37 HG3 GLU 5 HG3 GLU 5 5.976 -4.953 -7.205 38 H SER 6 H SER 6 1.501 -5.857 -7.983 39 HA SER 6 HA SER 6 -0.203 -3.677 -7.104 40 HB2 SER 6 HB2 SER 6 -0.082 -5.468 -9.471 41 HB3 SER 6 HB3 SER 6 -1.679 -4.879 -9.008 42 HG SER 6 HG SER 6 0.293 -3.578 -10.273 43 H ILE 7 H ILE 7 -2.606 -4.165 -6.880 44 HA ILE 7 HA ILE 7 -3.031 -6.753 -5.552 45 HB ILE 7 HB ILE 7 -2.663 -5.078 -3.810 46 HG12 ILE 7 HG12 ILE 7 -5.549 -5.375 -3.456 47 HG13 ILE 7 HG13 ILE 7 -4.772 -6.864 -3.984 48 HG21 ILE 7 HG21 ILE 7 -5.098 -3.569 -4.122 49 HG22 ILE 7 HG22 ILE 7 -4.051 -3.378 -5.528 50 HG23 ILE 7 HG23 ILE 7 -3.441 -3.001 -3.918 51 HD11 ILE 7 HD11 ILE 7 -3.720 -5.275 -1.674 52 HD12 ILE 7 HD12 ILE 7 -3.420 -6.964 -2.085 53 HD13 ILE 7 HD13 ILE 7 -5.002 -6.470 -1.484 54 H ARG 8 H ARG 8 -4.699 -7.801 -6.379 55 HA ARG 8 HA ARG 8 -6.723 -6.290 -7.873 56 HB2 ARG 8 HB2 ARG 8 -5.558 -8.079 -9.101 57 HB3 ARG 8 HB3 ARG 8 -6.096 -9.250 -7.905 58 HG2 ARG 8 HG2 ARG 8 -8.320 -7.762 -8.994 59 HG3 ARG 8 HG3 ARG 8 -7.382 -8.553 -10.262 60 HD2 ARG 8 HD2 ARG 8 -8.042 -10.604 -9.633 61 HD3 ARG 8 HD3 ARG 8 -7.875 -10.234 -7.917 62 HE ARG 8 HE ARG 8 -10.148 -8.968 -9.116 63 HH11 ARG 8 HH11 ARG 8 -8.979 -11.933 -7.693 64 HH12 ARG 8 HH12 ARG 8 -10.554 -12.473 -7.218 65 HH21 ARG 8 HH21 ARG 8 -12.221 -9.676 -8.491 66 HH22 ARG 8 HH22 ARG 8 -12.395 -11.192 -7.672 67 H PHE 9 H PHE 9 -7.518 -5.683 -5.650 68 HA PHE 9 HA PHE 9 -8.936 -7.770 -4.222 69 HB2 PHE 9 HB2 PHE 9 -9.451 -6.062 -2.587 70 HB3 PHE 9 HB3 PHE 9 -7.745 -5.952 -3.010 71 HD1 PHE 9 HD1 PHE 9 -6.970 -4.131 -4.513 72 HD2 PHE 9 HD2 PHE 9 -10.929 -4.260 -2.958 73 HE1 PHE 9 HE1 PHE 9 -7.253 -1.746 -5.047 74 HE2 PHE 9 HE2 PHE 9 -11.220 -1.876 -3.490 75 HZ PHE 9 HZ PHE 9 -9.381 -0.615 -4.535 76 H GLY 10 H GLY 10 -10.807 -8.453 -5.033 77 HA2 GLY 10 HA2 GLY 10 -12.930 -8.434 -5.905 78 HA3 GLY 10 HA3 GLY 10 -13.066 -6.812 -5.242 79 HA PRO 11 HA PRO 11 -13.380 -6.241 -9.775 80 HB2 PRO 11 HB2 PRO 11 -15.075 -4.142 -9.680 81 HB3 PRO 11 HB3 PRO 11 -15.630 -5.813 -9.524 82 HG2 PRO 11 HG2 PRO 11 -15.122 -3.779 -7.386 83 HG3 PRO 11 HG3 PRO 11 -16.476 -4.912 -7.552 84 HD2 PRO 11 HD2 PRO 11 -14.364 -5.357 -5.896 85 HD3 PRO 11 HD3 PRO 11 -15.277 -6.667 -6.673 86 H ASN 12 H ASN 12 -12.092 -4.424 -7.235 87 HA ASN 12 HA ASN 12 -11.255 -2.222 -8.968 88 HB2 ASN 12 HB2 ASN 12 -11.455 -2.626 -6.029 89 HB3 ASN 12 HB3 ASN 12 -10.182 -1.555 -6.609 90 HD21 ASN 12 HD21 ASN 12 -12.534 -0.920 -5.045 91 HD22 ASN 12 HD22 ASN 12 -13.426 0.246 -5.955 92 H VAL 13 H VAL 13 -9.169 -1.845 -9.536 93 HA VAL 13 HA VAL 13 -7.128 -3.743 -8.586 94 HB VAL 13 HB VAL 13 -7.317 -2.744 -11.429 95 HG11 VAL 13 HG11 VAL 13 -5.417 -4.442 -9.914 96 HG12 VAL 13 HG12 VAL 13 -5.121 -3.299 -11.223 97 HG13 VAL 13 HG13 VAL 13 -5.769 -4.900 -11.580 98 HG21 VAL 13 HG21 VAL 13 -9.060 -4.187 -11.525 99 HG22 VAL 13 HG22 VAL 13 -8.535 -5.088 -10.104 100 HG23 VAL 13 HG23 VAL 13 -7.765 -5.377 -11.664 101 H PHE 14 H PHE 14 -5.586 -2.653 -7.560 102 HA PHE 14 HA PHE 14 -5.143 0.160 -8.211 103 HB2 PHE 14 HB2 PHE 14 -5.490 -0.572 -5.837 104 HB3 PHE 14 HB3 PHE 14 -3.963 -1.443 -5.937 105 HD1 PHE 14 HD1 PHE 14 -1.893 -0.040 -6.626 106 HD2 PHE 14 HD2 PHE 14 -5.510 1.621 -5.120 107 HE1 PHE 14 HE1 PHE 14 -0.683 2.004 -5.985 108 HE2 PHE 14 HE2 PHE 14 -4.306 3.668 -4.477 109 HZ PHE 14 HZ PHE 14 -1.890 3.860 -4.909 110 H TYR 15 H TYR 15 -3.347 0.926 -9.146 111 HA TYR 15 HA TYR 15 -1.292 -1.024 -9.918 112 HB2 TYR 15 HB2 TYR 15 -2.138 1.616 -11.106 113 HB3 TYR 15 HB3 TYR 15 -0.645 0.810 -11.576 114 HD1 TYR 15 HD1 TYR 15 -4.322 0.248 -11.349 115 HD2 TYR 15 HD2 TYR 15 -0.672 -0.780 -13.276 116 HE1 TYR 15 HE1 TYR 15 -5.571 -1.102 -12.981 117 HE2 TYR 15 HE2 TYR 15 -1.911 -2.132 -14.914 118 HH TYR 15 HH TYR 15 -4.367 -3.386 -14.784 119 H VAL 16 H VAL 16 0.201 -1.058 -8.340 120 HA VAL 16 HA VAL 16 0.939 1.076 -6.695 121 HB VAL 16 HB VAL 16 3.129 -0.306 -6.426 122 HG11 VAL 16 HG11 VAL 16 0.440 -1.460 -5.699 123 HG12 VAL 16 HG12 VAL 16 1.319 -0.227 -4.795 124 HG13 VAL 16 HG13 VAL 16 1.977 -1.857 -4.931 125 HG21 VAL 16 HG21 VAL 16 3.318 -2.337 -7.414 126 HG22 VAL 16 HG22 VAL 16 2.326 -1.566 -8.652 127 HG23 VAL 16 HG23 VAL 16 1.575 -2.608 -7.443 128 H LEU 17 H LEU 17 1.753 0.503 -9.972 129 HA LEU 17 HA LEU 17 4.004 2.391 -9.780 130 HB2 LEU 17 HB2 LEU 17 3.384 0.189 -11.721 131 HB3 LEU 17 HB3 LEU 17 4.487 1.483 -12.148 132 HG LEU 17 HG LEU 17 5.791 -0.369 -11.396 133 HD11 LEU 17 HD11 LEU 17 7.114 0.655 -9.770 134 HD12 LEU 17 HD12 LEU 17 5.733 1.452 -9.015 135 HD13 LEU 17 HD13 LEU 17 6.319 2.002 -10.585 136 HD21 LEU 17 HD21 LEU 17 5.388 -1.661 -9.543 137 HD22 LEU 17 HD22 LEU 17 3.741 -1.241 -10.016 138 HD23 LEU 17 HD23 LEU 17 4.528 -0.374 -8.697 139 H LYS 18 H LYS 18 0.816 1.985 -10.969 140 HA LYS 18 HA LYS 18 1.120 4.206 -12.856 141 HB2 LYS 18 HB2 LYS 18 -0.177 1.870 -13.186 142 HB3 LYS 18 HB3 LYS 18 -1.495 2.852 -12.564 143 HG2 LYS 18 HG2 LYS 18 -1.564 4.182 -14.408 144 HG3 LYS 18 HG3 LYS 18 0.155 3.977 -14.755 145 HD2 LYS 18 HD2 LYS 18 -0.256 1.708 -15.531 146 HD3 LYS 18 HD3 LYS 18 -1.967 1.868 -15.137 147 HE2 LYS 18 HE2 LYS 18 -0.494 3.590 -17.127 148 HE3 LYS 18 HE3 LYS 18 -1.466 2.181 -17.550 149 HZ1 LYS 18 HZ1 LYS 18 -3.411 3.254 -16.691 150 HZ2 LYS 18 HZ2 LYS 18 -2.663 4.306 -17.784 151 HZ3 LYS 18 HZ3 LYS 18 -2.507 4.567 -16.121 152 H LEU 19 H LEU 19 -0.361 3.355 -9.819 153 HA LEU 19 HA LEU 19 -1.405 4.601 -8.229 154 HB2 LEU 19 HB2 LEU 19 -0.617 6.993 -9.892 155 HB3 LEU 19 HB3 LEU 19 -1.108 7.008 -8.212 156 HG LEU 19 HG LEU 19 1.138 7.162 -7.924 157 HD11 LEU 19 HD11 LEU 19 0.229 4.865 -7.101 158 HD12 LEU 19 HD12 LEU 19 1.959 5.201 -7.059 159 HD13 LEU 19 HD13 LEU 19 1.283 4.218 -8.357 160 HD21 LEU 19 HD21 LEU 19 1.956 5.304 -10.082 161 HD22 LEU 19 HD22 LEU 19 2.743 6.762 -9.477 162 HD23 LEU 19 HD23 LEU 19 1.340 6.892 -10.539 163 H THR 20 H THR 20 -3.075 3.450 -9.967 164 HA THR 20 HA THR 20 -5.297 5.301 -10.009 165 HB THR 20 HB THR 20 -4.443 3.944 -12.572 166 HG1 THR 20 HG1 THR 20 -3.051 5.617 -12.256 167 HG21 THR 20 HG21 THR 20 -6.692 4.224 -12.871 168 HG22 THR 20 HG22 THR 20 -6.079 5.771 -13.455 169 HG23 THR 20 HG23 THR 20 -6.765 5.650 -11.835 170 H VAL 21 H VAL 21 -6.762 4.160 -8.929 171 HA VAL 21 HA VAL 21 -6.828 1.287 -9.003 172 HB VAL 21 HB VAL 21 -8.904 3.109 -7.787 173 HG11 VAL 21 HG11 VAL 21 -8.183 0.537 -6.548 174 HG12 VAL 21 HG12 VAL 21 -8.992 0.431 -8.112 175 HG13 VAL 21 HG13 VAL 21 -9.763 1.287 -6.776 176 HG21 VAL 21 HG21 VAL 21 -6.144 2.531 -6.949 177 HG22 VAL 21 HG22 VAL 21 -7.368 2.350 -5.692 178 HG23 VAL 21 HG23 VAL 21 -7.196 3.886 -6.541 179 H GLU 22 H GLU 22 -7.723 0.184 -10.610 180 HA GLU 22 HA GLU 22 -9.484 1.354 -12.509 181 HB2 GLU 22 HB2 GLU 22 -7.970 -1.042 -12.270 182 HB3 GLU 22 HB3 GLU 22 -9.634 -1.499 -12.609 183 HG2 GLU 22 HG2 GLU 22 -9.113 0.593 -14.360 184 HG3 GLU 22 HG3 GLU 22 -7.635 -0.367 -14.355 185 H THR 23 H THR 23 -11.668 1.034 -12.849 186 HA THR 23 HA THR 23 -13.198 -0.541 -10.946 187 HB THR 23 HB THR 23 -14.063 2.299 -11.329 188 HG1 THR 23 HG1 THR 23 -12.895 2.826 -9.427 189 HG21 THR 23 HG21 THR 23 -15.618 0.822 -10.220 190 HG22 THR 23 HG22 THR 23 -14.987 2.014 -9.083 191 HG23 THR 23 HG23 THR 23 -14.379 0.358 -9.053 192 HA PRO 24 HA PRO 24 -15.545 -1.391 -14.602 193 HB2 PRO 24 HB2 PRO 24 -17.968 -1.929 -13.398 194 HB3 PRO 24 HB3 PRO 24 -16.642 -3.083 -13.543 195 HG2 PRO 24 HG2 PRO 24 -17.409 -1.362 -11.227 196 HG3 PRO 24 HG3 PRO 24 -16.886 -3.058 -11.241 197 HD2 PRO 24 HD2 PRO 24 -15.212 -1.102 -10.559 198 HD3 PRO 24 HD3 PRO 24 -14.649 -2.493 -11.500 199 H GLU 25 H GLU 25 -16.468 1.029 -12.289 200 HA GLU 25 HA GLU 25 -18.344 2.224 -14.204 201 HB2 GLU 25 HB2 GLU 25 -19.139 1.851 -11.879 202 HB3 GLU 25 HB3 GLU 25 -17.880 2.935 -11.302 203 HG2 GLU 25 HG2 GLU 25 -19.524 4.457 -11.409 204 HG3 GLU 25 HG3 GLU 25 -19.059 4.530 -13.108 205 H GLY 26 H GLY 26 -15.808 3.305 -11.929 206 HA2 GLY 26 HA2 GLY 26 -14.671 4.996 -14.001 207 HA3 GLY 26 HA3 GLY 26 -15.373 5.849 -12.635 208 H SER 27 H SER 27 -12.532 5.084 -13.811 209 HA SER 27 HA SER 27 -11.204 3.795 -11.653 210 HB2 SER 27 HB2 SER 27 -9.125 4.551 -12.788 211 HB3 SER 27 HB3 SER 27 -10.247 3.753 -13.890 212 HG SER 27 HG SER 27 -9.765 6.531 -13.610 213 H VAL 28 H VAL 28 -9.553 4.769 -10.285 214 HA VAL 28 HA VAL 28 -10.274 7.519 -9.505 215 HB VAL 28 HB VAL 28 -9.073 5.409 -7.712 216 HG11 VAL 28 HG11 VAL 28 -9.043 8.088 -7.382 217 HG12 VAL 28 HG12 VAL 28 -9.091 6.932 -6.051 218 HG13 VAL 28 HG13 VAL 28 -10.580 7.688 -6.616 219 HG21 VAL 28 HG21 VAL 28 -11.946 6.311 -7.747 220 HG22 VAL 28 HG22 VAL 28 -11.232 5.004 -6.803 221 HG23 VAL 28 HG23 VAL 28 -11.377 4.850 -8.554 222 H HIS 29 H HIS 29 -8.711 9.030 -9.359 223 HA HIS 29 HA HIS 29 -5.958 8.171 -9.953 224 HB2 HIS 29 HB2 HIS 29 -7.599 10.479 -10.826 225 HB3 HIS 29 HB3 HIS 29 -5.904 10.818 -10.488 226 HD1 HIS 29 HD1 HIS 29 -4.376 10.459 -12.398 227 HD2 HIS 29 HD2 HIS 29 -7.850 8.207 -12.755 228 HE1 HIS 29 HE1 HIS 29 -4.213 9.322 -14.635 229 HE2 HIS 29 HE2 HIS 29 -6.288 7.901 -14.793 230 H LEU 30 H LEU 30 -4.218 9.418 -8.969 231 HA LEU 30 HA LEU 30 -4.682 11.188 -6.806 232 HB2 LEU 30 HB2 LEU 30 -4.324 9.872 -4.929 233 HB3 LEU 30 HB3 LEU 30 -5.387 8.883 -5.910 234 HG LEU 30 HG LEU 30 -2.412 8.539 -5.568 235 HD11 LEU 30 HD11 LEU 30 -3.241 7.521 -3.716 236 HD12 LEU 30 HD12 LEU 30 -3.455 6.198 -4.863 237 HD13 LEU 30 HD13 LEU 30 -4.821 7.233 -4.445 238 HD21 LEU 30 HD21 LEU 30 -2.848 6.435 -6.925 239 HD22 LEU 30 HD22 LEU 30 -2.815 7.961 -7.807 240 HD23 LEU 30 HD23 LEU 30 -4.358 7.200 -7.420 241 H THR 31 H THR 31 -2.601 11.510 -5.499 242 HA THR 31 HA THR 31 -0.450 11.823 -7.376 243 HB THR 31 HB THR 31 0.116 12.319 -4.526 244 HG1 THR 31 HG1 THR 31 -1.892 13.813 -5.855 245 HG21 THR 31 HG21 THR 31 0.443 13.783 -7.097 246 HG22 THR 31 HG22 THR 31 1.644 13.364 -5.875 247 HG23 THR 31 HG23 THR 31 0.493 14.666 -5.571 248 HA PRO 32 HA PRO 32 1.715 8.096 -6.411 249 HB2 PRO 32 HB2 PRO 32 4.177 8.722 -7.313 250 HB3 PRO 32 HB3 PRO 32 2.815 8.443 -8.405 251 HG2 PRO 32 HG2 PRO 32 3.975 11.031 -7.446 252 HG3 PRO 32 HG3 PRO 32 3.446 10.578 -9.077 253 HD2 PRO 32 HD2 PRO 32 1.927 12.067 -7.376 254 HD3 PRO 32 HD3 PRO 32 1.236 10.996 -8.611 255 H SER 33 H SER 33 2.505 11.095 -4.952 256 HA SER 33 HA SER 33 4.649 10.090 -3.333 257 HB2 SER 33 HB2 SER 33 4.744 12.237 -2.345 258 HB3 SER 33 HB3 SER 33 4.274 12.540 -4.018 259 HG SER 33 HG SER 33 2.622 12.523 -1.717 260 H GLU 34 H GLU 34 1.228 10.653 -2.942 261 HA GLU 34 HA GLU 34 1.284 9.730 -0.194 262 HB2 GLU 34 HB2 GLU 34 -1.237 10.159 -1.770 263 HB3 GLU 34 HB3 GLU 34 -0.975 10.352 -0.043 264 HG2 GLU 34 HG2 GLU 34 0.015 12.429 -0.294 265 HG3 GLU 34 HG3 GLU 34 0.401 12.153 -1.990 266 H SER 35 H SER 35 0.339 8.646 -3.359 267 HA SER 35 HA SER 35 -0.685 6.134 -2.401 268 HB2 SER 35 HB2 SER 35 -1.313 5.727 -4.574 269 HB3 SER 35 HB3 SER 35 -1.169 7.480 -4.660 270 HG SER 35 HG SER 35 0.100 6.951 -6.274 271 H GLY 36 H GLY 36 2.359 7.520 -2.978 272 HA2 GLY 36 HA2 GLY 36 3.781 5.176 -3.744 273 HA3 GLY 36 HA3 GLY 36 4.485 6.660 -3.125 274 H ILE 37 H ILE 37 2.864 6.630 -0.702 275 HA ILE 37 HA ILE 37 4.588 4.975 0.877 276 HB ILE 37 HB ILE 37 3.785 7.119 1.749 277 HG12 ILE 37 HG12 ILE 37 4.379 5.145 3.253 278 HG13 ILE 37 HG13 ILE 37 3.435 6.437 3.984 279 HG21 ILE 37 HG21 ILE 37 1.187 5.992 1.086 280 HG22 ILE 37 HG22 ILE 37 1.681 7.672 1.287 281 HG23 ILE 37 HG23 ILE 37 1.248 6.706 2.697 282 HD11 ILE 37 HD11 ILE 37 1.572 4.603 2.983 283 HD12 ILE 37 HD12 ILE 37 1.994 4.911 4.666 284 HD13 ILE 37 HD13 ILE 37 2.835 3.651 3.762 285 H LEU 38 H LEU 38 1.380 4.708 -0.400 286 HA LEU 38 HA LEU 38 0.699 2.396 1.176 287 HB2 LEU 38 HB2 LEU 38 -1.383 2.593 0.308 288 HB3 LEU 38 HB3 LEU 38 -0.824 4.203 -0.096 289 HG LEU 38 HG LEU 38 -0.098 3.047 -2.352 290 HD11 LEU 38 HD11 LEU 38 -0.605 0.860 -2.320 291 HD12 LEU 38 HD12 LEU 38 -2.233 1.419 -2.704 292 HD13 LEU 38 HD13 LEU 38 -1.799 1.048 -1.036 293 HD21 LEU 38 HD21 LEU 38 -2.899 3.303 -2.652 294 HD22 LEU 38 HD22 LEU 38 -1.643 4.476 -3.048 295 HD23 LEU 38 HD23 LEU 38 -2.384 4.486 -1.449 296 H LYS 39 H LYS 39 2.404 3.079 -1.705 297 HA LYS 39 HA LYS 39 2.094 0.578 -3.003 298 HB2 LYS 39 HB2 LYS 39 2.789 2.564 -4.238 299 HB3 LYS 39 HB3 LYS 39 4.251 2.675 -3.268 300 HG2 LYS 39 HG2 LYS 39 3.886 0.102 -4.622 301 HG3 LYS 39 HG3 LYS 39 4.085 1.486 -5.700 302 HD2 LYS 39 HD2 LYS 39 6.033 1.984 -3.894 303 HD3 LYS 39 HD3 LYS 39 6.008 0.219 -3.860 304 HE2 LYS 39 HE2 LYS 39 5.914 1.392 -6.547 305 HE3 LYS 39 HE3 LYS 39 7.396 1.731 -5.653 306 HZ1 LYS 39 HZ1 LYS 39 6.471 -1.019 -5.567 307 HZ2 LYS 39 HZ2 LYS 39 8.039 -0.408 -5.738 308 HZ3 LYS 39 HZ3 LYS 39 7.008 -0.479 -7.078 309 H ARG 40 H ARG 40 4.362 1.885 -0.675 310 HA ARG 40 HA ARG 40 6.159 -0.326 -0.790 311 HB2 ARG 40 HB2 ARG 40 6.201 2.177 0.397 312 HB3 ARG 40 HB3 ARG 40 6.120 1.078 1.766 313 HG2 ARG 40 HG2 ARG 40 8.242 0.468 1.524 314 HG3 ARG 40 HG3 ARG 40 8.047 0.200 -0.209 315 HD2 ARG 40 HD2 ARG 40 8.013 3.020 0.464 316 HD3 ARG 40 HD3 ARG 40 9.493 2.231 1.008 317 HE ARG 40 HE ARG 40 8.776 1.603 -1.703 318 HH11 ARG 40 HH11 ARG 40 10.442 3.864 0.369 319 HH12 ARG 40 HH12 ARG 40 11.493 4.431 -0.885 320 HH21 ARG 40 HH21 ARG 40 10.156 2.349 -3.355 321 HH22 ARG 40 HH22 ARG 40 11.329 3.572 -3.000 322 H LEU 41 H LEU 41 3.284 0.403 1.002 323 HA LEU 41 HA LEU 41 3.555 -1.808 2.821 324 HB2 LEU 41 HB2 LEU 41 1.489 0.258 2.251 325 HB3 LEU 41 HB3 LEU 41 0.961 -1.221 3.031 326 HG LEU 41 HG LEU 41 1.474 0.650 4.602 327 HD11 LEU 41 HD11 LEU 41 1.838 -1.991 4.927 328 HD12 LEU 41 HD12 LEU 41 2.094 -0.806 6.207 329 HD13 LEU 41 HD13 LEU 41 3.466 -1.414 5.280 330 HD21 LEU 41 HD21 LEU 41 4.241 0.229 3.502 331 HD22 LEU 41 HD22 LEU 41 3.940 0.985 5.066 332 HD23 LEU 41 HD23 LEU 41 3.316 1.727 3.593 333 H LEU 42 H LEU 42 2.368 -1.290 -0.352 334 HA LEU 42 HA LEU 42 0.630 -3.548 -0.483 335 HB2 LEU 42 HB2 LEU 42 1.246 -1.360 -2.117 336 HB3 LEU 42 HB3 LEU 42 1.755 -2.763 -3.034 337 HG LEU 42 HG LEU 42 -0.582 -1.967 -3.491 338 HD11 LEU 42 HD11 LEU 42 0.451 -4.536 -3.337 339 HD12 LEU 42 HD12 LEU 42 -1.004 -4.028 -4.196 340 HD13 LEU 42 HD13 LEU 42 -1.123 -4.645 -2.548 341 HD21 LEU 42 HD21 LEU 42 -2.313 -2.280 -1.939 342 HD22 LEU 42 HD22 LEU 42 -1.021 -1.501 -1.024 343 HD23 LEU 42 HD23 LEU 42 -1.293 -3.236 -0.864 344 H ILE 43 H ILE 43 4.028 -3.033 -0.752 345 HA ILE 43 HA ILE 43 4.680 -5.356 -2.254 346 HB ILE 43 HB ILE 43 6.474 -4.000 -0.246 347 HG12 ILE 43 HG12 ILE 43 5.618 -2.255 -1.670 348 HG13 ILE 43 HG13 ILE 43 7.261 -2.622 -2.182 349 HG21 ILE 43 HG21 ILE 43 8.142 -4.716 -2.126 350 HG22 ILE 43 HG22 ILE 43 6.865 -5.859 -2.545 351 HG23 ILE 43 HG23 ILE 43 7.584 -5.892 -0.935 352 HD11 ILE 43 HD11 ILE 43 6.456 -2.783 -4.238 353 HD12 ILE 43 HD12 ILE 43 4.789 -2.763 -3.662 354 HD13 ILE 43 HD13 ILE 43 5.680 -4.283 -3.731 355 H ASN 44 H ASN 44 3.991 -4.755 1.108 356 HA ASN 44 HA ASN 44 4.835 -7.478 1.793 357 HB2 ASN 44 HB2 ASN 44 4.259 -6.565 4.192 358 HB3 ASN 44 HB3 ASN 44 5.783 -6.145 3.419 359 HD21 ASN 44 HD21 ASN 44 6.253 -4.069 3.091 360 HD22 ASN 44 HD22 ASN 44 5.179 -2.750 3.391 361 H LYS 45 H LYS 45 2.085 -5.325 1.832 362 HA LYS 45 HA LYS 45 -0.149 -5.664 2.130 363 HB2 LYS 45 HB2 LYS 45 0.740 -8.230 0.841 364 HB3 LYS 45 HB3 LYS 45 -0.945 -7.965 1.266 365 HG2 LYS 45 HG2 LYS 45 -1.272 -6.462 -0.387 366 HG3 LYS 45 HG3 LYS 45 0.372 -5.828 -0.287 367 HD2 LYS 45 HD2 LYS 45 1.200 -7.367 -1.746 368 HD3 LYS 45 HD3 LYS 45 0.057 -8.614 -1.245 369 HE2 LYS 45 HE2 LYS 45 -1.490 -6.595 -2.415 370 HE3 LYS 45 HE3 LYS 45 -0.085 -6.783 -3.463 371 HZ1 LYS 45 HZ1 LYS 45 -1.332 -8.422 -4.331 372 HZ2 LYS 45 HZ2 LYS 45 -2.262 -8.628 -2.934 373 HZ3 LYS 45 HZ3 LYS 45 -0.725 -9.327 -3.035 374 H GLY 46 H GLY 46 -0.192 -5.521 4.386 375 HA2 GLY 46 HA2 GLY 46 -0.874 -6.282 6.450 376 HA3 GLY 46 HA3 GLY 46 -1.179 -7.846 5.714 377 H GLN 47 H GLN 47 1.287 -5.784 7.136 378 HA GLN 47 HA GLN 47 2.625 -8.145 8.184 379 HB2 GLN 47 HB2 GLN 47 3.653 -7.357 5.916 380 HB3 GLN 47 HB3 GLN 47 4.333 -6.053 6.878 381 HG2 GLN 47 HG2 GLN 47 4.726 -8.722 8.011 382 HG3 GLN 47 HG3 GLN 47 5.509 -8.462 6.453 383 HE21 GLN 47 HE21 GLN 47 6.056 -8.386 9.624 384 HE22 GLN 47 HE22 GLN 47 7.272 -7.161 9.713 385 H LEU 48 H LEU 48 3.877 -7.724 10.045 386 HA LEU 48 HA LEU 48 2.957 -5.526 11.592 387 HB2 LEU 48 HB2 LEU 48 3.917 -7.946 12.230 388 HB3 LEU 48 HB3 LEU 48 5.377 -7.002 12.458 389 HG LEU 48 HG LEU 48 3.483 -5.512 13.794 390 HD11 LEU 48 HD11 LEU 48 1.912 -6.774 14.782 391 HD12 LEU 48 HD12 LEU 48 2.979 -8.170 14.936 392 HD13 LEU 48 HD13 LEU 48 2.172 -7.841 13.402 393 HD21 LEU 48 HD21 LEU 48 5.529 -5.724 14.817 394 HD22 LEU 48 HD22 LEU 48 5.574 -7.475 14.611 395 HD23 LEU 48 HD23 LEU 48 4.528 -6.758 15.837 396 H CYS 49 H CYS 49 3.684 -3.911 9.929 397 HA CYS 49 HA CYS 49 6.461 -3.303 9.699 398 HB2 CYS 49 HB2 CYS 49 3.911 -2.102 8.799 399 HB3 CYS 49 HB3 CYS 49 5.248 -0.977 9.010 400 HG CYS 49 HG CYS 49 6.133 -1.734 6.869 401 H LEU 50 H LEU 50 7.243 -1.026 10.316 402 HA LEU 50 HA LEU 50 6.333 -0.422 13.053 403 HB2 LEU 50 HB2 LEU 50 9.121 -0.413 11.911 404 HB3 LEU 50 HB3 LEU 50 8.713 0.335 13.444 405 HG LEU 50 HG LEU 50 9.642 -1.817 13.903 406 HD11 LEU 50 HD11 LEU 50 6.650 -2.056 14.166 407 HD12 LEU 50 HD12 LEU 50 7.675 -1.102 15.238 408 HD13 LEU 50 HD13 LEU 50 7.874 -2.853 15.154 409 HD21 LEU 50 HD21 LEU 50 8.876 -2.608 11.501 410 HD22 LEU 50 HD22 LEU 50 7.522 -3.273 12.414 411 HD23 LEU 50 HD23 LEU 50 9.171 -3.761 12.803 412 H ARG 51 H ARG 51 6.460 1.762 13.743 413 HA ARG 51 HA ARG 51 5.525 3.639 11.932 414 HB2 ARG 51 HB2 ARG 51 5.203 3.838 14.348 415 HB3 ARG 51 HB3 ARG 51 6.924 4.123 14.560 416 HG2 ARG 51 HG2 ARG 51 6.687 6.175 13.167 417 HG3 ARG 51 HG3 ARG 51 4.942 5.911 13.174 418 HD2 ARG 51 HD2 ARG 51 4.844 6.160 15.549 419 HD3 ARG 51 HD3 ARG 51 6.602 6.171 15.673 420 HE ARG 51 HE ARG 51 4.905 8.383 15.030 421 HH11 ARG 51 HH11 ARG 51 8.097 7.047 14.581 422 HH12 ARG 51 HH12 ARG 51 8.836 8.585 14.289 423 HH21 ARG 51 HH21 ARG 51 5.876 10.408 14.644 424 HH22 ARG 51 HH22 ARG 51 7.576 10.493 14.325 425 H LYS 52 H LYS 52 8.629 3.920 13.561 426 HA LYS 52 HA LYS 52 9.760 5.858 11.955 427 HB2 LYS 52 HB2 LYS 52 11.715 3.825 12.780 428 HB3 LYS 52 HB3 LYS 52 11.664 5.544 13.131 429 HG2 LYS 52 HG2 LYS 52 11.439 4.647 15.215 430 HG3 LYS 52 HG3 LYS 52 9.749 4.861 14.767 431 HD2 LYS 52 HD2 LYS 52 10.031 2.415 13.839 432 HD3 LYS 52 HD3 LYS 52 11.364 2.363 14.995 433 HE2 LYS 52 HE2 LYS 52 8.812 3.453 15.999 434 HE3 LYS 52 HE3 LYS 52 8.821 1.733 15.615 435 HZ1 LYS 52 HZ1 LYS 52 10.956 1.693 17.004 436 HZ2 LYS 52 HZ2 LYS 52 9.478 1.808 17.819 437 HZ3 LYS 52 HZ3 LYS 52 10.436 3.185 17.610 438 H HIS 53 H HIS 53 9.200 2.565 11.189 439 HA HIS 53 HA HIS 53 11.116 2.510 9.030 440 HB2 HIS 53 HB2 HIS 53 9.167 0.592 10.205 441 HB3 HIS 53 HB3 HIS 53 9.620 0.350 8.522 442 HD1 HIS 53 HD1 HIS 53 11.443 -1.295 8.335 443 HD2 HIS 53 HD2 HIS 53 11.795 0.996 11.783 444 HE1 HIS 53 HE1 HIS 53 13.520 -2.126 9.485 445 HE2 HIS 53 HE2 HIS 53 13.764 -0.660 11.520 446 H LEU 54 H LEU 54 7.923 3.613 9.479 447 HA LEU 54 HA LEU 54 7.202 3.339 6.694 448 HB2 LEU 54 HB2 LEU 54 5.773 3.637 9.099 449 HB3 LEU 54 HB3 LEU 54 5.445 5.078 8.154 450 HG LEU 54 HG LEU 54 5.171 2.953 6.350 451 HD11 LEU 54 HD11 LEU 54 3.195 1.893 7.869 452 HD12 LEU 54 HD12 LEU 54 4.451 2.154 9.080 453 HD13 LEU 54 HD13 LEU 54 4.788 1.171 7.656 454 HD21 LEU 54 HD21 LEU 54 3.844 5.203 6.971 455 HD22 LEU 54 HD22 LEU 54 2.742 4.006 7.652 456 HD23 LEU 54 HD23 LEU 54 3.179 3.932 5.945 457 H LEU 55 H LEU 55 8.127 5.905 8.918 458 HA LEU 55 HA LEU 55 7.894 7.874 6.815 459 HB2 LEU 55 HB2 LEU 55 8.971 9.435 8.471 460 HB3 LEU 55 HB3 LEU 55 7.423 8.777 8.938 461 HG LEU 55 HG LEU 55 9.296 8.990 10.694 462 HD11 LEU 55 HD11 LEU 55 7.062 7.451 10.511 463 HD12 LEU 55 HD12 LEU 55 8.070 7.617 11.949 464 HD13 LEU 55 HD13 LEU 55 8.306 6.256 10.859 465 HD21 LEU 55 HD21 LEU 55 10.793 7.114 10.878 466 HD22 LEU 55 HD22 LEU 55 11.027 7.901 9.317 467 HD23 LEU 55 HD23 LEU 55 10.117 6.396 9.418 468 H GLU 56 H GLU 56 10.118 5.529 7.640 469 HA GLU 56 HA GLU 56 12.449 6.996 6.731 470 HB2 GLU 56 HB2 GLU 56 11.931 4.366 7.985 471 HB3 GLU 56 HB3 GLU 56 13.285 4.423 6.866 472 HG2 GLU 56 HG2 GLU 56 13.382 6.683 8.622 473 HG3 GLU 56 HG3 GLU 56 13.238 5.196 9.558 474 H GLU 57 H GLU 57 9.926 5.080 5.430 475 HA GLU 57 HA GLU 57 11.412 4.216 3.112 476 HB2 GLU 57 HB2 GLU 57 8.543 3.997 3.962 477 HB3 GLU 57 HB3 GLU 57 9.018 3.608 2.316 478 HG2 GLU 57 HG2 GLU 57 9.874 2.257 4.855 479 HG3 GLU 57 HG3 GLU 57 8.947 1.578 3.520 480 H ILE 58 H ILE 58 8.895 6.564 3.799 481 HA ILE 58 HA ILE 58 8.934 7.588 1.115 482 HB ILE 58 HB ILE 58 7.859 9.508 2.997 483 HG12 ILE 58 HG12 ILE 58 6.834 6.668 3.182 484 HG13 ILE 58 HG13 ILE 58 7.413 7.685 4.498 485 HG21 ILE 58 HG21 ILE 58 5.984 9.442 1.547 486 HG22 ILE 58 HG22 ILE 58 6.414 7.838 0.950 487 HG23 ILE 58 HG23 ILE 58 7.413 9.232 0.535 488 HD11 ILE 58 HD11 ILE 58 4.966 7.444 4.447 489 HD12 ILE 58 HD12 ILE 58 4.944 8.234 2.872 490 HD13 ILE 58 HD13 ILE 58 5.496 9.118 4.294 491 H LYS 59 H LYS 59 10.824 7.984 3.909 492 HA LYS 59 HA LYS 59 11.751 10.639 3.402 493 HB2 LYS 59 HB2 LYS 59 11.921 9.755 5.644 494 HB3 LYS 59 HB3 LYS 59 12.870 8.387 5.082 495 HG2 LYS 59 HG2 LYS 59 14.506 10.287 4.273 496 HG3 LYS 59 HG3 LYS 59 13.679 11.211 5.528 497 HD2 LYS 59 HD2 LYS 59 14.469 8.524 6.369 498 HD3 LYS 59 HD3 LYS 59 15.828 9.555 5.921 499 HE2 LYS 59 HE2 LYS 59 13.986 11.064 7.502 500 HE3 LYS 59 HE3 LYS 59 14.353 9.551 8.330 501 HZ1 LYS 59 HZ1 LYS 59 16.624 10.963 7.197 502 HZ2 LYS 59 HZ2 LYS 59 16.480 10.152 8.673 503 HZ3 LYS 59 HZ3 LYS 59 15.870 11.721 8.508 504 H ASN 60 H ASN 60 12.790 7.369 2.584 505 HA ASN 60 HA ASN 60 15.255 8.124 1.397 506 HB2 ASN 60 HB2 ASN 60 14.035 5.731 2.042 507 HB3 ASN 60 HB3 ASN 60 14.006 5.722 0.281 508 HD21 ASN 60 HD21 ASN 60 15.465 3.960 0.352 509 HD22 ASN 60 HD22 ASN 60 17.150 4.219 0.633 510 H HIS 61 H HIS 61 11.963 8.058 0.336 511 HA HIS 61 HA HIS 61 12.677 8.460 -2.442 512 HB2 HIS 61 HB2 HIS 61 10.831 6.923 -1.895 513 HB3 HIS 61 HB3 HIS 61 9.965 8.245 -1.125 514 HD1 HIS 61 HD1 HIS 61 11.662 8.094 -4.530 515 HD2 HIS 61 HD2 HIS 61 7.943 8.826 -2.827 516 HE1 HIS 61 HE1 HIS 61 10.166 8.754 -6.440 517 HE2 HIS 61 HE2 HIS 61 7.942 9.270 -5.375 518 H ALA 62 H ALA 62 10.298 10.023 -0.309 519 HA ALA 62 HA ALA 62 11.409 12.644 -0.809 520 HB1 ALA 62 HB1 ALA 62 9.520 13.594 -1.904 521 HB2 ALA 62 HB2 ALA 62 8.588 12.108 -1.720 522 HB3 ALA 62 HB3 ALA 62 9.975 12.150 -2.809 523 H LYS 63 H LYS 63 11.598 12.929 1.384 524 HA LYS 63 HA LYS 63 9.365 12.437 3.152 525 HB2 LYS 63 HB2 LYS 63 12.116 12.528 3.472 526 HB3 LYS 63 HB3 LYS 63 11.567 13.996 4.266 527 HG2 LYS 63 HG2 LYS 63 10.165 11.446 4.875 528 HG3 LYS 63 HG3 LYS 63 11.762 11.727 5.569 529 HD2 LYS 63 HD2 LYS 63 10.442 14.116 5.996 530 HD3 LYS 63 HD3 LYS 63 9.190 12.902 6.263 531 HE2 LYS 63 HE2 LYS 63 10.102 12.246 8.193 532 HE3 LYS 63 HE3 LYS 63 11.720 12.178 7.496 533 HZ1 LYS 63 HZ1 LYS 63 11.114 13.889 9.367 534 HZ2 LYS 63 HZ2 LYS 63 10.569 14.811 8.058 535 HZ3 LYS 63 HZ3 LYS 63 12.181 14.303 8.121 536 H ALA 64 H ALA 64 7.896 13.857 3.815 537 HA ALA 64 HA ALA 64 6.630 15.762 3.821 538 HB1 ALA 64 HB1 ALA 64 7.955 17.758 4.742 539 HB2 ALA 64 HB2 ALA 64 9.316 16.639 4.816 540 HB3 ALA 64 HB3 ALA 64 7.846 16.302 5.731 541 H ILE 65 H ILE 65 6.794 15.406 1.311 542 HA ILE 65 HA ILE 65 8.320 17.135 -0.278 543 HB ILE 65 HB ILE 65 7.155 15.232 -1.239 544 HG12 ILE 65 HG12 ILE 65 6.220 16.310 -3.237 545 HG13 ILE 65 HG13 ILE 65 6.107 17.838 -2.369 546 HG21 ILE 65 HG21 ILE 65 4.509 16.185 -1.534 547 HG22 ILE 65 HG22 ILE 65 4.925 16.291 0.176 548 HG23 ILE 65 HG23 ILE 65 5.069 14.752 -0.672 549 HD11 ILE 65 HD11 ILE 65 8.701 16.396 -2.827 550 HD12 ILE 65 HD12 ILE 65 8.461 18.052 -2.270 551 HD13 ILE 65 HD13 ILE 65 8.053 17.612 -3.928 552 H VAL 66 H VAL 66 8.317 19.199 0.635 553 HA VAL 66 HA VAL 66 7.635 21.336 0.996 554 HB VAL 66 HB VAL 66 5.719 20.558 -1.195 555 HG11 VAL 66 HG11 VAL 66 4.575 22.392 -0.507 556 HG12 VAL 66 HG12 VAL 66 5.834 23.231 -1.414 557 HG13 VAL 66 HG13 VAL 66 5.964 23.074 0.338 558 HG21 VAL 66 HG21 VAL 66 8.271 20.638 -1.521 559 HG22 VAL 66 HG22 VAL 66 8.073 22.388 -1.432 560 HG23 VAL 66 HG23 VAL 66 7.245 21.469 -2.690 561 H ALA 67 H ALA 67 6.946 20.553 3.138 562 HA ALA 67 HA ALA 67 5.490 20.487 4.880 563 HB1 ALA 67 HB1 ALA 67 3.704 22.062 4.888 564 HB2 ALA 67 HB2 ALA 67 3.643 22.094 3.126 565 HB3 ALA 67 HB3 ALA 67 5.030 22.780 3.972 566 H ARG 68 H ARG 68 5.375 18.142 4.089 567 HA ARG 68 HA ARG 68 2.615 17.349 4.148 568 HB2 ARG 68 HB2 ARG 68 3.633 17.739 1.637 569 HB3 ARG 68 HB3 ARG 68 3.951 16.028 1.887 570 HG2 ARG 68 HG2 ARG 68 1.519 15.804 2.537 571 HG3 ARG 68 HG3 ARG 68 1.304 17.446 1.928 572 HD2 ARG 68 HD2 ARG 68 2.613 15.360 0.228 573 HD3 ARG 68 HD3 ARG 68 0.855 15.426 0.358 574 HE ARG 68 HE ARG 68 2.512 17.162 -1.155 575 HH11 ARG 68 HH11 ARG 68 -0.397 17.112 0.770 576 HH12 ARG 68 HH12 ARG 68 -1.116 18.454 -0.055 577 HH21 ARG 68 HH21 ARG 68 1.570 18.927 -2.242 578 HH22 ARG 68 HH22 ARG 68 0.000 19.485 -1.765 579 H ASN 69 H ASN 69 4.279 16.847 6.104 580 HA ASN 69 HA ASN 69 6.041 14.751 6.076 581 HB2 ASN 69 HB2 ASN 69 5.217 14.296 8.456 582 HB3 ASN 69 HB3 ASN 69 5.798 15.921 8.111 583 HD21 ASN 69 HD21 ASN 69 3.640 14.465 9.870 584 HD22 ASN 69 HD22 ASN 69 2.306 15.558 9.778 585 H VAL 70 H VAL 70 5.658 12.522 7.086 586 HA VAL 70 HA VAL 70 3.935 11.077 5.371 587 HB VAL 70 HB VAL 70 6.006 10.094 6.215 588 HG11 VAL 70 HG11 VAL 70 5.431 9.130 8.728 589 HG12 VAL 70 HG12 VAL 70 4.841 10.792 8.784 590 HG13 VAL 70 HG13 VAL 70 6.520 10.465 8.350 591 HG21 VAL 70 HG21 VAL 70 3.851 8.757 5.625 592 HG22 VAL 70 HG22 VAL 70 3.839 8.381 7.348 593 HG23 VAL 70 HG23 VAL 70 5.226 7.931 6.357 594 H ASP 71 H ASP 71 3.506 12.437 8.513 595 HA ASP 71 HA ASP 71 1.383 10.806 9.401 596 HB2 ASP 71 HB2 ASP 71 2.844 12.772 10.558 597 HB3 ASP 71 HB3 ASP 71 1.345 13.638 10.234 598 H VAL 72 H VAL 72 1.294 14.058 8.041 599 HA VAL 72 HA VAL 72 -1.481 14.200 7.710 600 HB VAL 72 HB VAL 72 0.585 15.549 5.964 601 HG11 VAL 72 HG11 VAL 72 -1.287 17.323 5.944 602 HG12 VAL 72 HG12 VAL 72 -2.334 16.002 6.464 603 HG13 VAL 72 HG13 VAL 72 -1.470 15.891 4.931 604 HG21 VAL 72 HG21 VAL 72 0.369 17.447 7.544 605 HG22 VAL 72 HG22 VAL 72 1.100 16.016 8.270 606 HG23 VAL 72 HG23 VAL 72 -0.585 16.412 8.606 607 H HIS 73 H HIS 73 0.926 12.502 5.957 608 HA HIS 73 HA HIS 73 -0.451 12.236 3.493 609 HB2 HIS 73 HB2 HIS 73 1.962 11.104 4.751 610 HB3 HIS 73 HB3 HIS 73 1.172 10.050 3.586 611 HD1 HIS 73 HD1 HIS 73 0.282 12.426 1.658 612 HD2 HIS 73 HD2 HIS 73 4.107 11.733 3.124 613 HE1 HIS 73 HE1 HIS 73 1.838 13.540 0.028 614 HE2 HIS 73 HE2 HIS 73 4.151 13.034 0.890 615 H ILE 74 H ILE 74 -0.544 10.581 6.542 616 HA ILE 74 HA ILE 74 -1.813 8.214 5.661 617 HB ILE 74 HB ILE 74 -2.035 9.474 8.392 618 HG12 ILE 74 HG12 ILE 74 0.308 9.218 7.808 619 HG13 ILE 74 HG13 ILE 74 -0.135 7.995 8.995 620 HG21 ILE 74 HG21 ILE 74 -2.867 6.898 7.231 621 HG22 ILE 74 HG22 ILE 74 -3.530 7.797 8.595 622 HG23 ILE 74 HG23 ILE 74 -2.081 6.814 8.807 623 HD11 ILE 74 HD11 ILE 74 0.626 7.695 6.150 624 HD12 ILE 74 HD12 ILE 74 -0.548 6.559 6.815 625 HD13 ILE 74 HD13 ILE 74 1.047 6.710 7.551 626 H ALA 75 H ALA 75 -3.014 11.326 6.691 627 HA ALA 75 HA ALA 75 -5.755 10.534 6.683 628 HB1 ALA 75 HB1 ALA 75 -4.344 13.156 6.942 629 HB2 ALA 75 HB2 ALA 75 -5.366 12.321 8.112 630 HB3 ALA 75 HB3 ALA 75 -6.091 13.100 6.706 631 H SER 76 H SER 76 -3.556 12.004 4.433 632 HA SER 76 HA SER 76 -5.547 12.655 2.486 633 HB2 SER 76 HB2 SER 76 -3.658 13.107 0.991 634 HB3 SER 76 HB3 SER 76 -3.372 13.835 2.572 635 HG SER 76 HG SER 76 -2.339 11.335 1.709 636 H LEU 77 H LEU 77 -3.729 9.862 3.343 637 HA LEU 77 HA LEU 77 -3.949 8.459 0.901 638 HB2 LEU 77 HB2 LEU 77 -3.043 7.919 3.613 639 HB3 LEU 77 HB3 LEU 77 -3.856 6.538 2.902 640 HG LEU 77 HG LEU 77 -1.320 6.677 2.641 641 HD11 LEU 77 HD11 LEU 77 -1.601 6.072 0.095 642 HD12 LEU 77 HD12 LEU 77 -3.314 6.126 0.508 643 HD13 LEU 77 HD13 LEU 77 -2.236 5.023 1.362 644 HD21 LEU 77 HD21 LEU 77 -1.900 9.192 1.649 645 HD22 LEU 77 HD22 LEU 77 -1.552 8.241 0.205 646 HD23 LEU 77 HD23 LEU 77 -0.363 8.339 1.504 647 H ARG 78 H ARG 78 -6.026 8.899 3.652 648 HA ARG 78 HA ARG 78 -7.817 6.808 3.233 649 HB2 ARG 78 HB2 ARG 78 -8.546 9.526 4.298 650 HB3 ARG 78 HB3 ARG 78 -9.275 7.983 4.687 651 HG2 ARG 78 HG2 ARG 78 -6.475 7.935 5.308 652 HG3 ARG 78 HG3 ARG 78 -7.263 9.308 6.087 653 HD2 ARG 78 HD2 ARG 78 -9.008 7.152 6.439 654 HD3 ARG 78 HD3 ARG 78 -7.397 6.499 6.731 655 HE ARG 78 HE ARG 78 -7.623 8.916 8.115 656 HH11 ARG 78 HH11 ARG 78 -8.978 5.700 8.179 657 HH12 ARG 78 HH12 ARG 78 -9.287 5.729 9.882 658 HH21 ARG 78 HH21 ARG 78 -8.028 8.955 10.356 659 HH22 ARG 78 HH22 ARG 78 -8.749 7.577 11.118 660 H LYS 79 H LYS 79 -7.532 9.953 1.768 661 HA LYS 79 HA LYS 79 -10.027 9.634 0.318 662 HB2 LYS 79 HB2 LYS 79 -8.883 11.843 1.314 663 HB3 LYS 79 HB3 LYS 79 -8.208 11.884 -0.310 664 HG2 LYS 79 HG2 LYS 79 -10.367 11.983 -1.295 665 HG3 LYS 79 HG3 LYS 79 -11.152 11.641 0.247 666 HD2 LYS 79 HD2 LYS 79 -11.386 13.872 0.376 667 HD3 LYS 79 HD3 LYS 79 -9.690 13.853 0.863 668 HE2 LYS 79 HE2 LYS 79 -9.016 14.821 -1.041 669 HE3 LYS 79 HE3 LYS 79 -10.074 13.817 -2.031 670 HZ1 LYS 79 HZ1 LYS 79 -11.387 15.854 -0.429 671 HZ2 LYS 79 HZ2 LYS 79 -11.696 15.358 -2.016 672 HZ3 LYS 79 HZ3 LYS 79 -10.424 16.426 -1.698 673 H LYS 80 H LYS 80 -6.596 9.867 -0.357 674 HA LYS 80 HA LYS 80 -6.809 9.622 -3.158 675 HB2 LYS 80 HB2 LYS 80 -4.484 9.010 -1.339 676 HB3 LYS 80 HB3 LYS 80 -4.386 9.124 -3.091 677 HG2 LYS 80 HG2 LYS 80 -5.259 11.375 -1.295 678 HG3 LYS 80 HG3 LYS 80 -3.614 11.155 -1.896 679 HD2 LYS 80 HD2 LYS 80 -4.135 11.919 -3.945 680 HD3 LYS 80 HD3 LYS 80 -5.680 11.066 -3.974 681 HE2 LYS 80 HE2 LYS 80 -6.796 12.794 -2.894 682 HE3 LYS 80 HE3 LYS 80 -5.308 13.477 -2.240 683 HZ1 LYS 80 HZ1 LYS 80 -6.578 14.476 -4.347 684 HZ2 LYS 80 HZ2 LYS 80 -5.514 13.424 -5.136 685 HZ3 LYS 80 HZ3 LYS 80 -4.909 14.629 -4.115 686 H LEU 81 H LEU 81 -5.718 7.282 -0.765 687 HA LEU 81 HA LEU 81 -5.856 5.098 -2.616 688 HB2 LEU 81 HB2 LEU 81 -4.174 5.072 -0.900 689 HB3 LEU 81 HB3 LEU 81 -5.382 5.211 0.358 690 HG LEU 81 HG LEU 81 -6.042 2.984 0.155 691 HD11 LEU 81 HD11 LEU 81 -6.467 2.378 -1.970 692 HD12 LEU 81 HD12 LEU 81 -4.852 1.679 -1.873 693 HD13 LEU 81 HD13 LEU 81 -5.084 3.262 -2.615 694 HD21 LEU 81 HD21 LEU 81 -3.348 3.593 0.521 695 HD22 LEU 81 HD22 LEU 81 -3.358 2.192 -0.549 696 HD23 LEU 81 HD23 LEU 81 -4.179 2.118 1.009 697 H GLY 82 H GLY 82 -7.847 6.283 0.053 698 HA2 GLY 82 HA2 GLY 82 -10.193 6.025 0.138 699 HA3 GLY 82 HA3 GLY 82 -10.063 4.680 -0.983 700 H ALA 83 H ALA 83 -11.063 3.071 0.074 701 HA ALA 83 HA ALA 83 -11.113 2.635 2.817 702 HB1 ALA 83 HB1 ALA 83 -11.644 0.219 2.125 703 HB2 ALA 83 HB2 ALA 83 -11.543 0.825 0.472 704 HB3 ALA 83 HB3 ALA 83 -12.731 1.499 1.587 705 H TYR 84 H TYR 84 -8.615 2.006 0.558 706 HA TYR 84 HA TYR 84 -7.261 0.076 2.233 707 HB2 TYR 84 HB2 TYR 84 -6.926 1.137 -0.497 708 HB3 TYR 84 HB3 TYR 84 -5.425 0.758 0.339 709 HD1 TYR 84 HD1 TYR 84 -8.793 -0.786 -0.191 710 HD2 TYR 84 HD2 TYR 84 -4.583 -1.363 0.032 711 HE1 TYR 84 HE1 TYR 84 -9.096 -3.164 -0.739 712 HE2 TYR 84 HE2 TYR 84 -4.875 -3.742 -0.517 713 HH TYR 84 HH TYR 84 -6.522 -5.188 -1.627 714 H GLY 85 H GLY 85 -7.449 3.466 1.980 715 HA2 GLY 85 HA2 GLY 85 -4.802 4.137 2.784 716 HA3 GLY 85 HA3 GLY 85 -6.216 5.175 2.911 717 H SER 86 H SER 86 -7.740 3.290 4.484 718 HA SER 86 HA SER 86 -6.773 4.025 7.074 719 HB2 SER 86 HB2 SER 86 -9.250 3.537 6.102 720 HB3 SER 86 HB3 SER 86 -8.912 1.985 6.869 721 HG SER 86 HG SER 86 -9.907 3.732 8.192 722 H ARG 87 H ARG 87 -6.289 1.364 4.985 723 HA ARG 87 HA ARG 87 -5.989 -0.818 6.626 724 HB2 ARG 87 HB2 ARG 87 -5.340 -0.210 4.020 725 HB3 ARG 87 HB3 ARG 87 -3.778 -0.567 4.741 726 HG2 ARG 87 HG2 ARG 87 -4.275 -2.682 4.266 727 HG3 ARG 87 HG3 ARG 87 -5.305 -2.609 5.689 728 HD2 ARG 87 HD2 ARG 87 -6.259 -1.876 2.931 729 HD3 ARG 87 HD3 ARG 87 -6.379 -3.509 3.582 730 HE ARG 87 HE ARG 87 -7.523 -1.545 5.317 731 HH11 ARG 87 HH11 ARG 87 -8.118 -3.512 2.497 732 HH12 ARG 87 HH12 ARG 87 -9.838 -3.505 2.701 733 HH21 ARG 87 HH21 ARG 87 -9.783 -1.534 5.587 734 HH22 ARG 87 HH22 ARG 87 -10.784 -2.381 4.456 735 H ILE 88 H ILE 88 -3.929 1.988 6.365 736 HA ILE 88 HA ILE 88 -1.668 0.922 7.709 737 HB ILE 88 HB ILE 88 -2.508 3.819 7.629 738 HG12 ILE 88 HG12 ILE 88 -0.515 2.970 5.670 739 HG13 ILE 88 HG13 ILE 88 -2.076 2.195 5.423 740 HG21 ILE 88 HG21 ILE 88 0.306 2.814 7.615 741 HG22 ILE 88 HG22 ILE 88 -0.588 2.923 9.131 742 HG23 ILE 88 HG23 ILE 88 -0.328 4.369 8.156 743 HD11 ILE 88 HD11 ILE 88 -2.542 4.942 5.915 744 HD12 ILE 88 HD12 ILE 88 -2.817 4.022 4.436 745 HD13 ILE 88 HD13 ILE 88 -1.262 4.808 4.710 746 H VAL 89 H VAL 89 -2.274 -0.119 9.606 747 HA VAL 89 HA VAL 89 -3.863 1.277 11.583 748 HB VAL 89 HB VAL 89 -2.433 -1.376 11.804 749 HG11 VAL 89 HG11 VAL 89 -4.415 -1.593 13.550 750 HG12 VAL 89 HG12 VAL 89 -4.209 0.157 13.618 751 HG13 VAL 89 HG13 VAL 89 -2.852 -0.907 13.990 752 HG21 VAL 89 HG21 VAL 89 -4.107 -1.349 10.006 753 HG22 VAL 89 HG22 VAL 89 -5.323 -0.801 11.159 754 HG23 VAL 89 HG23 VAL 89 -4.590 -2.394 11.341 755 H THR 90 H THR 90 -3.157 1.853 13.667 756 HA THR 90 HA THR 90 -0.239 2.161 13.945 757 HB THR 90 HB THR 90 -2.300 4.090 15.019 758 HG1 THR 90 HG1 THR 90 -2.474 4.644 12.998 759 HG21 THR 90 HG21 THR 90 0.593 3.907 15.200 760 HG22 THR 90 HG22 THR 90 -0.549 4.867 16.141 761 HG23 THR 90 HG23 THR 90 0.029 5.459 14.583 762 H LEU 91 H LEU 91 -0.287 0.145 15.111 763 HA LEU 91 HA LEU 91 -1.812 -0.149 17.501 764 HB2 LEU 91 HB2 LEU 91 0.218 -1.687 16.035 765 HB3 LEU 91 HB3 LEU 91 0.240 -1.930 17.771 766 HG LEU 91 HG LEU 91 -2.348 -2.152 16.286 767 HD11 LEU 91 HD11 LEU 91 -1.611 -4.720 16.397 768 HD12 LEU 91 HD12 LEU 91 -0.035 -3.981 16.114 769 HD13 LEU 91 HD13 LEU 91 -1.355 -3.705 14.977 770 HD21 LEU 91 HD21 LEU 91 -2.353 -4.061 18.169 771 HD22 LEU 91 HD22 LEU 91 -2.864 -2.401 18.473 772 HD23 LEU 91 HD23 LEU 91 -1.235 -2.917 18.912 773 H ARG 92 H ARG 92 -1.394 0.529 19.501 774 HA ARG 92 HA ARG 92 0.891 2.186 20.008 775 HB2 ARG 92 HB2 ARG 92 -1.543 2.337 20.968 776 HB3 ARG 92 HB3 ARG 92 -0.937 1.208 22.171 777 HG2 ARG 92 HG2 ARG 92 0.858 3.450 21.783 778 HG3 ARG 92 HG3 ARG 92 -0.763 3.963 22.256 779 HD2 ARG 92 HD2 ARG 92 0.913 1.911 23.698 780 HD3 ARG 92 HD3 ARG 92 0.710 3.589 24.192 781 HE ARG 92 HE ARG 92 -1.526 3.126 24.778 782 HH11 ARG 92 HH11 ARG 92 0.178 0.272 23.686 783 HH12 ARG 92 HH12 ARG 92 -0.963 -0.822 24.387 784 HH21 ARG 92 HH21 ARG 92 -3.021 1.680 25.692 785 HH22 ARG 92 HH22 ARG 92 -2.778 -0.026 25.522 786 H GLY 93 H GLY 93 2.472 0.459 19.532 787 HA2 GLY 93 HA2 GLY 93 4.098 -0.357 21.385 788 HA3 GLY 93 HA3 GLY 93 2.793 -1.489 21.708 789 H VAL 94 H VAL 94 2.134 -1.637 18.814 790 HA VAL 94 HA VAL 94 4.130 -3.651 18.136 791 HB VAL 94 HB VAL 94 1.656 -3.011 16.543 792 HG11 VAL 94 HG11 VAL 94 3.755 -5.020 16.460 793 HG12 VAL 94 HG12 VAL 94 2.587 -4.547 15.227 794 HG13 VAL 94 HG13 VAL 94 2.136 -5.719 16.464 795 HG21 VAL 94 HG21 VAL 94 0.307 -3.881 18.080 796 HG22 VAL 94 HG22 VAL 94 1.659 -3.868 19.212 797 HG23 VAL 94 HG23 VAL 94 1.331 -5.306 18.246 798 H GLY 95 H GLY 95 2.532 -0.877 16.570 799 HA2 GLY 95 HA2 GLY 95 4.286 0.681 15.557 800 HA3 GLY 95 HA3 GLY 95 4.786 -0.754 14.676 801 H TYR 96 H TYR 96 3.905 -1.090 12.748 802 HA TYR 96 HA TYR 96 1.357 0.246 12.126 803 HB2 TYR 96 HB2 TYR 96 3.961 0.342 10.697 804 HB3 TYR 96 HB3 TYR 96 2.510 0.246 9.707 805 HD1 TYR 96 HD1 TYR 96 3.733 2.142 12.693 806 HD2 TYR 96 HD2 TYR 96 1.612 2.250 9.007 807 HE1 TYR 96 HE1 TYR 96 3.408 4.565 12.958 808 HE2 TYR 96 HE2 TYR 96 1.283 4.673 9.260 809 HH TYR 96 HH TYR 96 2.244 6.551 10.417 810 H LEU 97 H LEU 97 -0.083 -1.345 11.942 811 HA LEU 97 HA LEU 97 0.719 -3.818 10.564 812 HB2 LEU 97 HB2 LEU 97 -0.211 -3.837 12.957 813 HB3 LEU 97 HB3 LEU 97 -1.760 -3.467 12.225 814 HG LEU 97 HG LEU 97 -1.444 -5.878 12.713 815 HD11 LEU 97 HD11 LEU 97 -2.657 -6.507 10.908 816 HD12 LEU 97 HD12 LEU 97 -1.548 -5.756 9.760 817 HD13 LEU 97 HD13 LEU 97 -2.709 -4.764 10.644 818 HD21 LEU 97 HD21 LEU 97 1.029 -5.814 12.162 819 HD22 LEU 97 HD22 LEU 97 0.552 -5.879 10.465 820 HD23 LEU 97 HD23 LEU 97 0.125 -7.200 11.552 821 H PHE 98 H PHE 98 0.325 -3.458 8.437 822 HA PHE 98 HA PHE 98 -1.915 -1.998 7.461 823 HB2 PHE 98 HB2 PHE 98 0.403 -2.615 6.341 824 HB3 PHE 98 HB3 PHE 98 -0.499 -4.009 5.759 825 HD1 PHE 98 HD1 PHE 98 -0.441 -0.308 5.785 826 HD2 PHE 98 HD2 PHE 98 -1.949 -3.829 3.932 827 HE1 PHE 98 HE1 PHE 98 -1.340 1.052 3.942 828 HE2 PHE 98 HE2 PHE 98 -2.851 -2.476 2.085 829 HZ PHE 98 HZ PHE 98 -2.546 -0.032 2.088 830 H SER 99 H SER 99 -3.438 -3.265 8.892 831 HA SER 99 HA SER 99 -4.111 -5.940 8.332 832 HB2 SER 99 HB2 SER 99 -6.263 -5.396 9.493 833 HB3 SER 99 HB3 SER 99 -4.827 -4.924 10.400 834 HG SER 99 HG SER 99 -6.656 -3.302 8.999 835 H ASP 100 H ASP 100 -4.375 -6.364 6.169 836 HA ASP 100 HA ASP 100 -6.618 -4.995 4.844 837 HB2 ASP 100 HB2 ASP 100 -4.490 -4.546 3.728 838 HB3 ASP 100 HB3 ASP 100 -4.186 -6.270 3.581 839 H ASP 101 H ASP 101 -4.916 -7.936 3.976 840 HA ASP 101 HA ASP 101 -7.041 -9.660 4.794 841 HB2 ASP 101 HB2 ASP 101 -7.570 -8.475 2.442 842 HB3 ASP 101 HB3 ASP 101 -6.604 -9.829 1.863 843 H GLY 102 H GLY 102 -4.516 -9.591 2.278 844 HA2 GLY 102 HA2 GLY 102 -2.387 -10.754 2.971 845 HA3 GLY 102 HA3 GLY 102 -3.438 -12.079 3.449 846 H ASP 103 H ASP 103 -3.814 -10.098 0.556 847 HA ASP 103 HA ASP 103 -3.991 -12.406 -1.098 848 HB2 ASP 103 HB2 ASP 103 -4.411 -9.531 -1.380 849 HB3 ASP 103 HB3 ASP 103 -3.690 -10.254 -2.814 850 H LYS 104 H LYS 104 -2.596 -13.049 -2.776 851 HA LYS 104 HA LYS 104 0.099 -11.938 -2.684 852 HB2 LYS 104 HB2 LYS 104 -0.262 -14.188 -1.450 853 HB3 LYS 104 HB3 LYS 104 -0.358 -14.876 -3.065 854 HG2 LYS 104 HG2 LYS 104 1.850 -14.694 -3.416 855 HG3 LYS 104 HG3 LYS 104 1.956 -13.132 -2.603 856 HD2 LYS 104 HD2 LYS 104 1.405 -14.783 -0.515 857 HD3 LYS 104 HD3 LYS 104 2.360 -15.845 -1.551 858 HE2 LYS 104 HE2 LYS 104 4.252 -14.762 -1.073 859 HE3 LYS 104 HE3 LYS 104 3.509 -13.187 -1.349 860 HZ1 LYS 104 HZ1 LYS 104 2.740 -14.548 1.101 861 HZ2 LYS 104 HZ2 LYS 104 3.077 -12.913 0.830 862 HZ3 LYS 104 HZ3 LYS 104 4.345 -14.014 1.030 863 H LYS 105 H LYS 105 1.190 -11.809 -4.615 864 HA LYS 105 HA LYS 105 -0.327 -11.658 -6.973 865 HB2 LYS 105 HB2 LYS 105 1.853 -10.461 -6.441 866 HB3 LYS 105 HB3 LYS 105 2.672 -11.960 -6.857 867 HG2 LYS 105 HG2 LYS 105 2.281 -11.723 -9.078 868 HG3 LYS 105 HG3 LYS 105 0.753 -10.874 -8.832 869 HD2 LYS 105 HD2 LYS 105 2.249 -8.969 -7.905 870 HD3 LYS 105 HD3 LYS 105 3.549 -9.801 -8.761 871 HE2 LYS 105 HE2 LYS 105 2.704 -9.298 -10.816 872 HE3 LYS 105 HE3 LYS 105 1.034 -9.297 -10.250 873 HZ1 LYS 105 HZ1 LYS 105 2.325 -7.086 -10.863 874 HZ2 LYS 105 HZ2 LYS 105 2.775 -7.189 -9.236 875 HZ3 LYS 105 HZ3 LYS 105 1.138 -7.131 -9.658 876 H PHE 106 H PHE 106 0.284 -12.851 -9.028 877 HA PHE 106 HA PHE 106 -0.375 -15.525 -8.842 878 HB2 PHE 106 HB2 PHE 106 1.321 -14.576 -11.120 879 HB3 PHE 106 HB3 PHE 106 -0.082 -15.630 -11.134 880 HD1 PHE 106 HD1 PHE 106 -2.362 -14.635 -10.796 881 HD2 PHE 106 HD2 PHE 106 1.108 -12.271 -11.487 882 HE1 PHE 106 HE1 PHE 106 -3.789 -12.738 -11.443 883 HE2 PHE 106 HE2 PHE 106 -0.312 -10.368 -12.133 884 HZ PHE 106 HZ PHE 106 -2.764 -10.601 -12.112 885 H SER 107 H SER 107 0.704 -17.228 -8.117 886 HA SER 107 HA SER 107 3.367 -17.160 -7.263 887 HB2 SER 107 HB2 SER 107 1.407 -18.815 -6.697 888 HB3 SER 107 HB3 SER 107 2.077 -19.753 -8.032 889 HG SER 107 HG SER 107 3.673 -18.804 -5.899 890 H GLN 108 H GLN 108 5.280 -17.709 -8.177 891 HA GLN 108 HA GLN 108 5.580 -17.585 -10.959 892 HB2 GLN 108 HB2 GLN 108 7.428 -18.507 -8.764 893 HB3 GLN 108 HB3 GLN 108 7.924 -18.471 -10.451 894 HG2 GLN 108 HG2 GLN 108 7.235 -16.019 -10.425 895 HG3 GLN 108 HG3 GLN 108 7.192 -16.175 -8.670 896 HE21 GLN 108 HE21 GLN 108 9.255 -16.498 -11.500 897 HE22 GLN 108 HE22 GLN 108 10.745 -16.203 -10.676 898 H GLN 109 H GLN 109 5.990 -20.391 -8.794 899 HA GLN 109 HA GLN 109 6.375 -22.292 -10.812 900 HB2 GLN 109 HB2 GLN 109 6.228 -22.285 -8.008 901 HB3 GLN 109 HB3 GLN 109 4.997 -23.423 -8.536 902 HG2 GLN 109 HG2 GLN 109 7.468 -23.790 -9.986 903 HG3 GLN 109 HG3 GLN 109 7.710 -23.907 -8.244 904 HE21 GLN 109 HE21 GLN 109 7.748 -25.961 -7.693 905 HE22 GLN 109 HE22 GLN 109 6.657 -27.184 -8.240 906 H ASP 110 H ASP 110 5.010 -23.617 -11.952 907 HA ASP 110 HA ASP 110 2.464 -22.677 -12.593 908 HB2 ASP 110 HB2 ASP 110 2.259 -24.956 -13.709 909 HB3 ASP 110 HB3 ASP 110 3.593 -23.945 -14.232 910 H THR 111 H THR 111 3.555 -24.881 -10.166 911 HA THR 111 HA THR 111 1.061 -26.149 -9.677 912 HB THR 111 HB THR 111 2.164 -26.813 -7.497 913 HG1 THR 111 HG1 THR 111 3.646 -25.312 -7.077 914 HG21 THR 111 HG21 THR 111 3.116 -27.489 -10.184 915 HG22 THR 111 HG22 THR 111 2.600 -28.532 -8.859 916 HG23 THR 111 HG23 THR 111 4.233 -27.868 -8.873 917 H LYS 112 H LYS 112 -0.512 -25.696 -8.180 918 HA LYS 112 HA LYS 112 -0.215 -23.603 -6.257 919 HB2 LYS 112 HB2 LYS 112 -2.194 -22.302 -7.195 920 HB3 LYS 112 HB3 LYS 112 -0.660 -22.119 -8.034 921 HG2 LYS 112 HG2 LYS 112 -1.557 -24.029 -9.548 922 HG3 LYS 112 HG3 LYS 112 -3.128 -23.556 -8.898 923 HD2 LYS 112 HD2 LYS 112 -1.278 -21.480 -10.000 924 HD3 LYS 112 HD3 LYS 112 -2.253 -22.463 -11.095 925 HE2 LYS 112 HE2 LYS 112 -3.396 -20.910 -8.781 926 HE3 LYS 112 HE3 LYS 112 -3.277 -20.270 -10.419 927 HZ1 LYS 112 HZ1 LYS 112 -5.406 -21.561 -9.511 928 HZ2 LYS 112 HZ2 LYS 112 -4.547 -22.871 -10.150 929 HZ3 LYS 112 HZ3 LYS 112 -4.956 -21.563 -11.142 930 H LEU 113 H LEU 113 -1.358 -24.158 -4.528 931 HA LEU 113 HA LEU 113 -3.002 -26.424 -4.448 932 HB2 LEU 113 HB2 LEU 113 -2.101 -24.372 -2.602 933 HB3 LEU 113 HB3 LEU 113 -3.750 -24.862 -2.263 934 HG LEU 113 HG LEU 113 -1.931 -27.117 -2.698 935 HD11 LEU 113 HD11 LEU 113 -1.194 -26.650 -0.167 936 HD12 LEU 113 HD12 LEU 113 -1.251 -24.992 -0.764 937 HD13 LEU 113 HD13 LEU 113 -0.219 -26.181 -1.560 938 HD21 LEU 113 HD21 LEU 113 -3.921 -26.330 -0.578 939 HD22 LEU 113 HD22 LEU 113 -3.024 -27.849 -0.575 940 HD23 LEU 113 HD23 LEU 113 -4.146 -27.490 -1.887 941 H SER 114 H SER 114 -4.616 -26.282 -6.005 942 HA SER 114 HA SER 114 -6.357 -24.130 -6.386 943 HB2 SER 114 HB2 SER 114 -5.977 -26.492 -7.651 944 HB3 SER 114 HB3 SER 114 -7.482 -26.838 -6.799 945 HG SER 114 HG SER 114 -6.971 -25.051 -8.863 946 H LEU 115 H LEU 115 -7.808 -23.276 -5.056 947 HA LEU 115 HA LEU 115 -8.509 -24.282 -2.577 948 HB2 LEU 115 HB2 LEU 115 -10.401 -22.620 -2.753 949 HB3 LEU 115 HB3 LEU 115 -8.787 -21.982 -2.941 950 HG LEU 115 HG LEU 115 -9.141 -22.036 -5.425 951 HD11 LEU 115 HD11 LEU 115 -10.822 -23.405 -6.035 952 HD12 LEU 115 HD12 LEU 115 -11.801 -21.957 -5.805 953 HD13 LEU 115 HD13 LEU 115 -11.707 -23.169 -4.528 954 HD21 LEU 115 HD21 LEU 115 -9.336 -19.934 -4.404 955 HD22 LEU 115 HD22 LEU 115 -10.867 -20.354 -3.636 956 HD23 LEU 115 HD23 LEU 115 -10.796 -20.102 -5.380 957 H GLU 116 H GLU 116 -10.403 -25.235 -1.772 958 HA GLU 116 HA GLU 116 -12.406 -26.212 -3.626 959 HB2 GLU 116 HB2 GLU 116 -12.111 -28.578 -2.764 960 HB3 GLU 116 HB3 GLU 116 -10.875 -28.004 -3.875 961 HG2 GLU 116 HG2 GLU 116 -9.254 -28.192 -2.357 962 HG3 GLU 116 HG3 GLU 116 -10.246 -27.501 -1.073 Start of MODEL 9 1 H1 HIS 1 H1 HIS 1 14.045 -8.560 -5.228 2 H2 HIS 1 H2 HIS 1 13.278 -7.557 -6.391 3 H3 HIS 1 H3 HIS 1 13.758 -9.151 -6.811 4 HA HIS 1 HA HIS 1 11.499 -9.268 -6.499 5 HB2 HIS 1 HB2 HIS 1 12.833 -10.094 -3.909 6 HB3 HIS 1 HB3 HIS 1 11.334 -10.748 -4.560 7 HD1 HIS 1 HD1 HIS 1 12.375 -11.081 -7.519 8 HD2 HIS 1 HD2 HIS 1 14.322 -12.402 -4.094 9 HE1 HIS 1 HE1 HIS 1 13.883 -12.944 -8.279 10 HE2 HIS 1 HE2 HIS 1 14.989 -13.783 -6.177 11 H SER 2 H SER 2 9.836 -9.297 -4.482 12 HA SER 2 HA SER 2 8.458 -8.037 -3.184 13 HB2 SER 2 HB2 SER 2 10.785 -6.298 -2.412 14 HB3 SER 2 HB3 SER 2 9.412 -6.813 -1.433 15 HG SER 2 HG SER 2 11.399 -7.919 -0.948 16 H VAL 3 H VAL 3 7.453 -7.228 -5.111 17 HA VAL 3 HA VAL 3 7.717 -4.332 -5.334 18 HB VAL 3 HB VAL 3 7.622 -4.446 -7.823 19 HG11 VAL 3 HG11 VAL 3 10.019 -5.589 -6.405 20 HG12 VAL 3 HG12 VAL 3 9.717 -3.909 -6.850 21 HG13 VAL 3 HG13 VAL 3 10.038 -5.109 -8.102 22 HG21 VAL 3 HG21 VAL 3 6.859 -6.545 -8.405 23 HG22 VAL 3 HG22 VAL 3 7.899 -7.363 -7.238 24 HG23 VAL 3 HG23 VAL 3 8.587 -6.695 -8.718 25 HA PRO 4 HA PRO 4 3.317 -4.552 -5.632 26 HB2 PRO 4 HB2 PRO 4 3.168 -2.184 -7.293 27 HB3 PRO 4 HB3 PRO 4 2.797 -2.355 -5.577 28 HG2 PRO 4 HG2 PRO 4 4.929 -0.937 -6.533 29 HG3 PRO 4 HG3 PRO 4 4.890 -1.692 -4.931 30 HD2 PRO 4 HD2 PRO 4 6.207 -2.639 -7.444 31 HD3 PRO 4 HD3 PRO 4 6.783 -2.720 -5.765 32 H GLU 5 H GLU 5 1.993 -5.720 -6.877 33 HA GLU 5 HA GLU 5 2.550 -5.870 -9.743 34 HB2 GLU 5 HB2 GLU 5 1.490 -7.757 -7.716 35 HB3 GLU 5 HB3 GLU 5 0.884 -7.908 -9.354 36 HG2 GLU 5 HG2 GLU 5 3.790 -7.672 -9.174 37 HG3 GLU 5 HG3 GLU 5 3.127 -9.102 -8.387 38 H SER 6 H SER 6 -0.182 -5.902 -7.524 39 HA SER 6 HA SER 6 -1.646 -3.930 -8.930 40 HB2 SER 6 HB2 SER 6 -2.144 -6.779 -9.614 41 HB3 SER 6 HB3 SER 6 -3.563 -5.757 -9.383 42 HG SER 6 HG SER 6 -1.401 -5.036 -11.064 43 H ILE 7 H ILE 7 -3.731 -3.483 -7.939 44 HA ILE 7 HA ILE 7 -4.242 -4.889 -5.424 45 HB ILE 7 HB ILE 7 -4.071 -1.879 -5.573 46 HG12 ILE 7 HG12 ILE 7 -2.191 -2.747 -3.740 47 HG13 ILE 7 HG13 ILE 7 -2.044 -3.922 -5.041 48 HG21 ILE 7 HG21 ILE 7 -4.019 -3.119 -2.949 49 HG22 ILE 7 HG22 ILE 7 -5.497 -3.489 -3.837 50 HG23 ILE 7 HG23 ILE 7 -5.030 -1.811 -3.562 51 HD11 ILE 7 HD11 ILE 7 -1.839 -0.935 -5.334 52 HD12 ILE 7 HD12 ILE 7 -1.684 -2.115 -6.636 53 HD13 ILE 7 HD13 ILE 7 -0.495 -2.078 -5.333 54 H ARG 8 H ARG 8 -5.991 -5.675 -6.863 55 HA ARG 8 HA ARG 8 -8.120 -3.731 -7.354 56 HB2 ARG 8 HB2 ARG 8 -9.186 -5.486 -8.663 57 HB3 ARG 8 HB3 ARG 8 -7.519 -5.273 -9.176 58 HG2 ARG 8 HG2 ARG 8 -6.941 -7.224 -7.681 59 HG3 ARG 8 HG3 ARG 8 -8.678 -7.499 -7.526 60 HD2 ARG 8 HD2 ARG 8 -8.846 -7.701 -9.969 61 HD3 ARG 8 HD3 ARG 8 -7.103 -7.467 -10.100 62 HE ARG 8 HE ARG 8 -6.827 -9.663 -9.560 63 HH11 ARG 8 HH11 ARG 8 -9.993 -8.664 -8.483 64 HH12 ARG 8 HH12 ARG 8 -10.466 -10.256 -7.992 65 HH21 ARG 8 HH21 ARG 8 -7.447 -11.757 -8.916 66 HH22 ARG 8 HH22 ARG 8 -9.021 -12.012 -8.237 67 H PHE 9 H PHE 9 -9.544 -3.399 -5.785 68 HA PHE 9 HA PHE 9 -10.399 -5.704 -4.163 69 HB2 PHE 9 HB2 PHE 9 -10.622 -4.205 -2.227 70 HB3 PHE 9 HB3 PHE 9 -8.963 -4.255 -2.813 71 HD1 PHE 9 HD1 PHE 9 -8.102 -2.348 -4.187 72 HD2 PHE 9 HD2 PHE 9 -11.823 -2.190 -2.130 73 HE1 PHE 9 HE1 PHE 9 -8.087 0.106 -4.358 74 HE2 PHE 9 HE2 PHE 9 -11.816 0.265 -2.298 75 HZ PHE 9 HZ PHE 9 -9.946 1.416 -3.413 76 H GLY 10 H GLY 10 -12.396 -6.162 -4.836 77 HA2 GLY 10 HA2 GLY 10 -14.639 -5.915 -5.259 78 HA3 GLY 10 HA3 GLY 10 -14.546 -4.402 -4.372 79 HA PRO 11 HA PRO 11 -15.686 -3.096 -8.598 80 HB2 PRO 11 HB2 PRO 11 -16.719 -0.697 -7.826 81 HB3 PRO 11 HB3 PRO 11 -17.636 -2.207 -7.775 82 HG2 PRO 11 HG2 PRO 11 -16.205 -0.785 -5.562 83 HG3 PRO 11 HG3 PRO 11 -17.805 -1.550 -5.549 84 HD2 PRO 11 HD2 PRO 11 -15.629 -2.760 -4.514 85 HD3 PRO 11 HD3 PRO 11 -16.928 -3.674 -5.309 86 H ASN 12 H ASN 12 -13.852 -1.443 -6.113 87 HA ASN 12 HA ASN 12 -12.632 0.327 -8.101 88 HB2 ASN 12 HB2 ASN 12 -12.739 0.312 -5.102 89 HB3 ASN 12 HB3 ASN 12 -11.478 1.217 -5.932 90 HD21 ASN 12 HD21 ASN 12 -14.897 0.930 -5.354 91 HD22 ASN 12 HD22 ASN 12 -15.328 2.504 -5.920 92 H VAL 13 H VAL 13 -10.383 0.425 -8.408 93 HA VAL 13 HA VAL 13 -8.826 -1.808 -7.299 94 HB VAL 13 HB VAL 13 -7.733 -2.137 -9.494 95 HG11 VAL 13 HG11 VAL 13 -10.720 -2.497 -9.668 96 HG12 VAL 13 HG12 VAL 13 -9.650 -3.531 -8.720 97 HG13 VAL 13 HG13 VAL 13 -9.476 -3.453 -10.474 98 HG21 VAL 13 HG21 VAL 13 -7.989 -0.176 -10.698 99 HG22 VAL 13 HG22 VAL 13 -9.706 -0.044 -10.316 100 HG23 VAL 13 HG23 VAL 13 -9.152 -1.249 -11.478 101 H PHE 14 H PHE 14 -6.472 -1.499 -7.520 102 HA PHE 14 HA PHE 14 -5.688 1.321 -7.758 103 HB2 PHE 14 HB2 PHE 14 -5.608 -0.355 -5.366 104 HB3 PHE 14 HB3 PHE 14 -4.041 0.349 -5.755 105 HD1 PHE 14 HD1 PHE 14 -7.608 1.462 -5.727 106 HD2 PHE 14 HD2 PHE 14 -3.570 2.313 -4.689 107 HE1 PHE 14 HE1 PHE 14 -8.320 3.590 -4.717 108 HE2 PHE 14 HE2 PHE 14 -4.274 4.442 -3.678 109 HZ PHE 14 HZ PHE 14 -6.652 5.083 -3.690 110 H TYR 15 H TYR 15 -4.657 1.009 -9.698 111 HA TYR 15 HA TYR 15 -2.799 -1.140 -10.110 112 HB2 TYR 15 HB2 TYR 15 -3.508 1.321 -11.707 113 HB3 TYR 15 HB3 TYR 15 -2.259 0.191 -12.220 114 HD1 TYR 15 HD1 TYR 15 -5.861 0.677 -11.727 115 HD2 TYR 15 HD2 TYR 15 -2.838 -2.012 -13.045 116 HE1 TYR 15 HE1 TYR 15 -7.579 -0.723 -12.791 117 HE2 TYR 15 HE2 TYR 15 -4.548 -3.419 -14.113 118 HH TYR 15 HH TYR 15 -7.782 -2.382 -14.536 119 H VAL 16 H VAL 16 -0.612 -1.118 -9.970 120 HA VAL 16 HA VAL 16 0.583 1.163 -8.595 121 HB VAL 16 HB VAL 16 2.589 -0.402 -8.426 122 HG11 VAL 16 HG11 VAL 16 1.012 -1.959 -6.832 123 HG12 VAL 16 HG12 VAL 16 0.013 -0.520 -7.042 124 HG13 VAL 16 HG13 VAL 16 1.647 -0.373 -6.393 125 HG21 VAL 16 HG21 VAL 16 0.823 -2.721 -8.801 126 HG22 VAL 16 HG22 VAL 16 2.527 -2.512 -9.204 127 HG23 VAL 16 HG23 VAL 16 1.283 -1.884 -10.284 128 H LEU 17 H LEU 17 -0.036 0.872 -11.617 129 HA LEU 17 HA LEU 17 2.654 1.628 -12.550 130 HB2 LEU 17 HB2 LEU 17 0.591 -0.123 -13.718 131 HB3 LEU 17 HB3 LEU 17 1.333 0.999 -14.842 132 HG LEU 17 HG LEU 17 2.441 -1.197 -14.839 133 HD11 LEU 17 HD11 LEU 17 3.678 0.880 -15.382 134 HD12 LEU 17 HD12 LEU 17 4.701 -0.394 -14.719 135 HD13 LEU 17 HD13 LEU 17 4.209 0.961 -13.702 136 HD21 LEU 17 HD21 LEU 17 3.051 -0.517 -11.967 137 HD22 LEU 17 HD22 LEU 17 3.824 -1.815 -12.876 138 HD23 LEU 17 HD23 LEU 17 2.090 -1.872 -12.559 139 H LYS 18 H LYS 18 -0.782 2.334 -12.614 140 HA LYS 18 HA LYS 18 -0.196 4.881 -13.968 141 HB2 LYS 18 HB2 LYS 18 -2.856 4.748 -14.203 142 HB3 LYS 18 HB3 LYS 18 -1.761 4.041 -15.381 143 HG2 LYS 18 HG2 LYS 18 -1.970 1.876 -14.122 144 HG3 LYS 18 HG3 LYS 18 -3.259 2.637 -13.187 145 HD2 LYS 18 HD2 LYS 18 -4.648 2.847 -15.060 146 HD3 LYS 18 HD3 LYS 18 -3.314 2.600 -16.187 147 HE2 LYS 18 HE2 LYS 18 -3.475 0.313 -14.517 148 HE3 LYS 18 HE3 LYS 18 -5.103 0.676 -15.088 149 HZ1 LYS 18 HZ1 LYS 18 -3.417 -0.773 -16.485 150 HZ2 LYS 18 HZ2 LYS 18 -2.948 0.749 -17.056 151 HZ3 LYS 18 HZ3 LYS 18 -4.552 0.240 -17.227 152 H LEU 19 H LEU 19 -1.431 3.409 -11.094 153 HA LEU 19 HA LEU 19 -2.124 4.256 -9.105 154 HB2 LEU 19 HB2 LEU 19 -0.874 6.764 -10.224 155 HB3 LEU 19 HB3 LEU 19 -1.450 6.608 -8.577 156 HG LEU 19 HG LEU 19 0.506 4.578 -9.496 157 HD11 LEU 19 HD11 LEU 19 1.845 6.193 -10.336 158 HD12 LEU 19 HD12 LEU 19 2.230 6.434 -8.631 159 HD13 LEU 19 HD13 LEU 19 1.053 7.479 -9.426 160 HD21 LEU 19 HD21 LEU 19 1.133 4.537 -7.260 161 HD22 LEU 19 HD22 LEU 19 -0.602 4.845 -7.181 162 HD23 LEU 19 HD23 LEU 19 0.540 6.171 -6.961 163 H THR 20 H THR 20 -4.045 4.058 -11.080 164 HA THR 20 HA THR 20 -5.755 6.388 -10.504 165 HB THR 20 HB THR 20 -5.788 4.682 -13.001 166 HG1 THR 20 HG1 THR 20 -4.024 6.027 -13.070 167 HG21 THR 20 HG21 THR 20 -7.374 6.169 -13.910 168 HG22 THR 20 HG22 THR 20 -7.227 7.275 -12.544 169 HG23 THR 20 HG23 THR 20 -7.983 5.696 -12.324 170 H VAL 21 H VAL 21 -7.611 5.963 -9.495 171 HA VAL 21 HA VAL 21 -8.280 3.199 -8.908 172 HB VAL 21 HB VAL 21 -9.785 5.627 -7.952 173 HG11 VAL 21 HG11 VAL 21 -9.356 2.990 -6.572 174 HG12 VAL 21 HG12 VAL 21 -10.704 3.284 -7.671 175 HG13 VAL 21 HG13 VAL 21 -10.542 4.241 -6.198 176 HG21 VAL 21 HG21 VAL 21 -7.648 6.191 -7.247 177 HG22 VAL 21 HG22 VAL 21 -7.176 4.510 -7.000 178 HG23 VAL 21 HG23 VAL 21 -8.282 5.291 -5.870 179 H GLU 22 H GLU 22 -9.588 2.091 -10.195 180 HA GLU 22 HA GLU 22 -11.300 3.403 -12.098 181 HB2 GLU 22 HB2 GLU 22 -9.991 1.104 -12.247 182 HB3 GLU 22 HB3 GLU 22 -11.484 0.472 -11.566 183 HG2 GLU 22 HG2 GLU 22 -11.417 2.181 -14.034 184 HG3 GLU 22 HG3 GLU 22 -11.281 0.424 -14.078 185 H THR 23 H THR 23 -12.604 4.542 -10.484 186 HA THR 23 HA THR 23 -14.293 3.127 -8.692 187 HB THR 23 HB THR 23 -15.517 5.588 -9.236 188 HG1 THR 23 HG1 THR 23 -13.730 6.201 -10.476 189 HG21 THR 23 HG21 THR 23 -14.928 6.187 -7.104 190 HG22 THR 23 HG22 THR 23 -13.357 5.391 -7.196 191 HG23 THR 23 HG23 THR 23 -14.825 4.428 -7.019 192 HA PRO 24 HA PRO 24 -17.745 2.119 -11.239 193 HB2 PRO 24 HB2 PRO 24 -19.888 2.664 -9.715 194 HB3 PRO 24 HB3 PRO 24 -18.741 1.393 -9.287 195 HG2 PRO 24 HG2 PRO 24 -18.984 4.166 -8.209 196 HG3 PRO 24 HG3 PRO 24 -18.669 2.651 -7.345 197 HD2 PRO 24 HD2 PRO 24 -16.732 4.452 -8.051 198 HD3 PRO 24 HD3 PRO 24 -16.427 2.728 -7.791 199 H GLU 25 H GLU 25 -17.744 5.385 -9.965 200 HA GLU 25 HA GLU 25 -19.751 6.291 -11.854 201 HB2 GLU 25 HB2 GLU 25 -19.316 7.143 -9.415 202 HB3 GLU 25 HB3 GLU 25 -18.086 8.137 -10.183 203 HG2 GLU 25 HG2 GLU 25 -20.229 9.305 -9.887 204 HG3 GLU 25 HG3 GLU 25 -19.730 9.195 -11.574 205 H GLY 26 H GLY 26 -16.279 6.279 -11.496 206 HA2 GLY 26 HA2 GLY 26 -15.790 6.755 -14.215 207 HA3 GLY 26 HA3 GLY 26 -15.632 8.283 -13.363 208 H SER 27 H SER 27 -13.822 8.691 -12.184 209 HA SER 27 HA SER 27 -11.984 6.550 -11.521 210 HB2 SER 27 HB2 SER 27 -10.081 7.854 -12.661 211 HB3 SER 27 HB3 SER 27 -11.151 6.911 -13.699 212 HG SER 27 HG SER 27 -11.485 9.678 -13.171 213 H VAL 28 H VAL 28 -9.983 7.497 -10.410 214 HA VAL 28 HA VAL 28 -10.529 10.046 -9.084 215 HB VAL 28 HB VAL 28 -9.855 7.573 -7.491 216 HG11 VAL 28 HG11 VAL 28 -9.139 9.271 -6.158 217 HG12 VAL 28 HG12 VAL 28 -10.843 9.274 -5.705 218 HG13 VAL 28 HG13 VAL 28 -10.239 10.448 -6.875 219 HG21 VAL 28 HG21 VAL 28 -12.027 7.091 -8.087 220 HG22 VAL 28 HG22 VAL 28 -12.487 8.789 -8.199 221 HG23 VAL 28 HG23 VAL 28 -12.276 8.036 -6.619 222 H HIS 29 H HIS 29 -8.747 10.983 -10.038 223 HA HIS 29 HA HIS 29 -6.177 9.740 -10.084 224 HB2 HIS 29 HB2 HIS 29 -7.337 11.902 -11.363 225 HB3 HIS 29 HB3 HIS 29 -6.170 12.659 -10.285 226 HD1 HIS 29 HD1 HIS 29 -6.108 9.697 -12.690 227 HD2 HIS 29 HD2 HIS 29 -3.790 12.939 -11.513 228 HE1 HIS 29 HE1 HIS 29 -4.036 9.592 -14.110 229 HE2 HIS 29 HE2 HIS 29 -2.609 11.511 -13.317 230 H LEU 30 H LEU 30 -5.084 9.352 -8.275 231 HA LEU 30 HA LEU 30 -5.230 11.289 -6.072 232 HB2 LEU 30 HB2 LEU 30 -4.097 9.358 -4.805 233 HB3 LEU 30 HB3 LEU 30 -5.795 9.209 -5.214 234 HG LEU 30 HG LEU 30 -5.306 7.695 -7.015 235 HD11 LEU 30 HD11 LEU 30 -2.475 8.511 -6.506 236 HD12 LEU 30 HD12 LEU 30 -3.359 8.430 -8.029 237 HD13 LEU 30 HD13 LEU 30 -2.840 6.947 -7.231 238 HD21 LEU 30 HD21 LEU 30 -4.240 7.176 -4.316 239 HD22 LEU 30 HD22 LEU 30 -3.748 6.045 -5.577 240 HD23 LEU 30 HD23 LEU 30 -5.460 6.305 -5.245 241 H THR 31 H THR 31 -3.174 11.460 -4.754 242 HA THR 31 HA THR 31 -1.010 12.167 -6.550 243 HB THR 31 HB THR 31 0.037 12.983 -4.349 244 HG1 THR 31 HG1 THR 31 -1.462 11.658 -3.075 245 HG21 THR 31 HG21 THR 31 -2.245 14.614 -4.250 246 HG22 THR 31 HG22 THR 31 -2.023 14.146 -5.937 247 HG23 THR 31 HG23 THR 31 -0.711 14.932 -5.059 248 HA PRO 32 HA PRO 32 0.969 8.219 -5.892 249 HB2 PRO 32 HB2 PRO 32 3.412 8.911 -6.941 250 HB3 PRO 32 HB3 PRO 32 2.018 8.421 -7.909 251 HG2 PRO 32 HG2 PRO 32 3.024 11.169 -7.290 252 HG3 PRO 32 HG3 PRO 32 2.407 10.519 -8.821 253 HD2 PRO 32 HD2 PRO 32 0.894 12.073 -7.232 254 HD3 PRO 32 HD3 PRO 32 0.196 10.732 -8.165 255 H SER 33 H SER 33 1.913 11.213 -4.516 256 HA SER 33 HA SER 33 4.107 10.122 -3.009 257 HB2 SER 33 HB2 SER 33 3.511 12.479 -1.753 258 HB3 SER 33 HB3 SER 33 4.587 12.336 -3.142 259 HG SER 33 HG SER 33 1.811 12.927 -3.199 260 H GLU 34 H GLU 34 0.780 11.020 -2.414 261 HA GLU 34 HA GLU 34 0.933 10.055 0.322 262 HB2 GLU 34 HB2 GLU 34 -1.615 10.865 -1.055 263 HB3 GLU 34 HB3 GLU 34 -1.217 10.953 0.655 264 HG2 GLU 34 HG2 GLU 34 -0.033 12.681 -1.506 265 HG3 GLU 34 HG3 GLU 34 -1.311 13.159 -0.390 266 H SER 35 H SER 35 -0.232 9.123 -2.801 267 HA SER 35 HA SER 35 -1.559 6.763 -1.795 268 HB2 SER 35 HB2 SER 35 -2.424 6.535 -3.893 269 HB3 SER 35 HB3 SER 35 -1.920 8.214 -4.066 270 HG SER 35 HG SER 35 -1.085 6.093 -5.436 271 H GLY 36 H GLY 36 1.589 7.785 -2.522 272 HA2 GLY 36 HA2 GLY 36 2.701 5.319 -3.394 273 HA3 GLY 36 HA3 GLY 36 3.592 6.694 -2.770 274 H ILE 37 H ILE 37 2.148 6.803 -0.270 275 HA ILE 37 HA ILE 37 3.731 4.942 1.198 276 HB ILE 37 HB ILE 37 3.168 7.075 2.211 277 HG12 ILE 37 HG12 ILE 37 1.581 5.388 4.019 278 HG13 ILE 37 HG13 ILE 37 3.084 4.641 3.490 279 HG21 ILE 37 HG21 ILE 37 0.558 6.914 3.071 280 HG22 ILE 37 HG22 ILE 37 0.477 6.322 1.414 281 HG23 ILE 37 HG23 ILE 37 1.156 7.913 1.748 282 HD11 ILE 37 HD11 ILE 37 3.369 7.420 4.346 283 HD12 ILE 37 HD12 ILE 37 4.331 5.998 4.750 284 HD13 ILE 37 HD13 ILE 37 2.827 6.316 5.610 285 H LEU 38 H LEU 38 0.482 4.967 0.015 286 HA LEU 38 HA LEU 38 -0.360 2.684 1.550 287 HB2 LEU 38 HB2 LEU 38 -2.241 3.847 1.039 288 HB3 LEU 38 HB3 LEU 38 -1.555 4.515 -0.426 289 HG LEU 38 HG LEU 38 -2.232 1.636 -0.527 290 HD11 LEU 38 HD11 LEU 38 -4.543 1.867 -0.630 291 HD12 LEU 38 HD12 LEU 38 -4.458 3.624 -0.750 292 HD13 LEU 38 HD13 LEU 38 -4.089 2.826 0.779 293 HD21 LEU 38 HD21 LEU 38 -2.590 4.001 -2.359 294 HD22 LEU 38 HD22 LEU 38 -3.083 2.354 -2.751 295 HD23 LEU 38 HD23 LEU 38 -1.379 2.725 -2.486 296 H LYS 39 H LYS 39 1.271 3.304 -1.406 297 HA LYS 39 HA LYS 39 0.732 0.826 -2.684 298 HB2 LYS 39 HB2 LYS 39 2.188 3.224 -3.273 299 HB3 LYS 39 HB3 LYS 39 3.211 1.832 -3.599 300 HG2 LYS 39 HG2 LYS 39 1.244 0.901 -4.920 301 HG3 LYS 39 HG3 LYS 39 0.559 2.524 -4.813 302 HD2 LYS 39 HD2 LYS 39 1.784 2.224 -6.904 303 HD3 LYS 39 HD3 LYS 39 2.557 3.440 -5.886 304 HE2 LYS 39 HE2 LYS 39 4.309 1.997 -5.301 305 HE3 LYS 39 HE3 LYS 39 3.428 0.569 -5.841 306 HZ1 LYS 39 HZ1 LYS 39 4.043 0.886 -7.968 307 HZ2 LYS 39 HZ2 LYS 39 5.318 1.758 -7.280 308 HZ3 LYS 39 HZ3 LYS 39 3.961 2.574 -7.874 309 H ARG 40 H ARG 40 3.243 2.010 -0.545 310 HA ARG 40 HA ARG 40 4.871 -0.324 -0.772 311 HB2 ARG 40 HB2 ARG 40 4.825 2.039 1.064 312 HB3 ARG 40 HB3 ARG 40 5.813 0.644 1.475 313 HG2 ARG 40 HG2 ARG 40 7.407 1.601 0.259 314 HG3 ARG 40 HG3 ARG 40 6.470 1.109 -1.153 315 HD2 ARG 40 HD2 ARG 40 5.494 3.580 0.026 316 HD3 ARG 40 HD3 ARG 40 7.182 3.693 -0.469 317 HE ARG 40 HE ARG 40 4.937 3.681 -2.173 318 HH11 ARG 40 HH11 ARG 40 8.168 2.383 -1.946 319 HH12 ARG 40 HH12 ARG 40 8.385 2.291 -3.661 320 HH21 ARG 40 HH21 ARG 40 5.221 3.561 -4.429 321 HH22 ARG 40 HH22 ARG 40 6.714 2.960 -5.071 322 H LEU 41 H LEU 41 2.460 0.783 1.508 323 HA LEU 41 HA LEU 41 2.705 -1.502 3.214 324 HB2 LEU 41 HB2 LEU 41 0.969 0.886 3.055 325 HB3 LEU 41 HB3 LEU 41 0.246 -0.526 3.802 326 HG LEU 41 HG LEU 41 2.838 0.745 4.684 327 HD11 LEU 41 HD11 LEU 41 0.321 1.768 5.039 328 HD12 LEU 41 HD12 LEU 41 1.714 2.080 6.074 329 HD13 LEU 41 HD13 LEU 41 0.562 0.817 6.505 330 HD21 LEU 41 HD21 LEU 41 1.980 -0.735 6.763 331 HD22 LEU 41 HD22 LEU 41 3.106 -1.323 5.541 332 HD23 LEU 41 HD23 LEU 41 1.391 -1.714 5.420 333 H LEU 42 H LEU 42 1.128 -0.826 0.260 334 HA LEU 42 HA LEU 42 -0.931 -2.789 0.489 335 HB2 LEU 42 HB2 LEU 42 0.066 -0.954 -1.579 336 HB3 LEU 42 HB3 LEU 42 -0.591 -2.459 -2.196 337 HG LEU 42 HG LEU 42 -2.035 -0.447 -0.472 338 HD11 LEU 42 HD11 LEU 42 -2.419 0.507 -2.447 339 HD12 LEU 42 HD12 LEU 42 -3.468 -0.869 -2.777 340 HD13 LEU 42 HD13 LEU 42 -1.796 -0.879 -3.338 341 HD21 LEU 42 HD21 LEU 42 -2.728 -3.228 -1.320 342 HD22 LEU 42 HD22 LEU 42 -3.999 -2.023 -1.116 343 HD23 LEU 42 HD23 LEU 42 -2.955 -2.442 0.242 344 H ILE 43 H ILE 43 2.384 -2.735 -0.560 345 HA ILE 43 HA ILE 43 2.432 -5.162 -1.983 346 HB ILE 43 HB ILE 43 4.746 -4.278 -0.278 347 HG12 ILE 43 HG12 ILE 43 4.089 -2.228 -1.314 348 HG13 ILE 43 HG13 ILE 43 5.431 -2.858 -2.260 349 HG21 ILE 43 HG21 ILE 43 6.036 -5.138 -2.207 350 HG22 ILE 43 HG22 ILE 43 4.520 -5.614 -2.973 351 HG23 ILE 43 HG23 ILE 43 5.015 -6.364 -1.455 352 HD11 ILE 43 HD11 ILE 43 3.525 -1.908 -3.575 353 HD12 ILE 43 HD12 ILE 43 2.555 -3.270 -3.018 354 HD13 ILE 43 HD13 ILE 43 3.990 -3.554 -4.001 355 H ASN 44 H ASN 44 2.329 -4.418 1.408 356 HA ASN 44 HA ASN 44 2.905 -7.159 2.186 357 HB2 ASN 44 HB2 ASN 44 2.243 -4.697 3.807 358 HB3 ASN 44 HB3 ASN 44 2.570 -6.277 4.506 359 HD21 ASN 44 HD21 ASN 44 4.592 -6.748 5.004 360 HD22 ASN 44 HD22 ASN 44 5.990 -5.889 4.462 361 H LYS 45 H LYS 45 0.257 -4.898 2.021 362 HA LYS 45 HA LYS 45 -1.986 -5.085 2.459 363 HB2 LYS 45 HB2 LYS 45 -1.165 -7.230 0.596 364 HB3 LYS 45 HB3 LYS 45 -2.779 -7.379 1.278 365 HG2 LYS 45 HG2 LYS 45 -3.566 -5.545 0.187 366 HG3 LYS 45 HG3 LYS 45 -1.994 -4.745 0.167 367 HD2 LYS 45 HD2 LYS 45 -1.648 -5.457 -1.910 368 HD3 LYS 45 HD3 LYS 45 -1.798 -7.131 -1.373 369 HE2 LYS 45 HE2 LYS 45 -4.358 -5.747 -1.630 370 HE3 LYS 45 HE3 LYS 45 -3.463 -5.858 -3.145 371 HZ1 LYS 45 HZ1 LYS 45 -3.695 -8.265 -1.492 372 HZ2 LYS 45 HZ2 LYS 45 -3.609 -8.117 -3.175 373 HZ3 LYS 45 HZ3 LYS 45 -5.054 -7.767 -2.368 374 H GLY 46 H GLY 46 -1.736 -5.353 4.773 375 HA2 GLY 46 HA2 GLY 46 -2.589 -6.357 6.675 376 HA3 GLY 46 HA3 GLY 46 -3.101 -7.713 5.685 377 H GLN 47 H GLN 47 0.124 -6.333 6.276 378 HA GLN 47 HA GLN 47 0.910 -8.914 7.452 379 HB2 GLN 47 HB2 GLN 47 1.744 -8.053 4.988 380 HB3 GLN 47 HB3 GLN 47 3.038 -7.473 6.028 381 HG2 GLN 47 HG2 GLN 47 3.561 -9.661 5.141 382 HG3 GLN 47 HG3 GLN 47 3.362 -9.730 6.891 383 HE21 GLN 47 HE21 GLN 47 1.615 -10.817 7.762 384 HE22 GLN 47 HE22 GLN 47 0.628 -11.887 6.832 385 H LEU 48 H LEU 48 2.891 -8.767 8.796 386 HA LEU 48 HA LEU 48 2.642 -6.632 10.652 387 HB2 LEU 48 HB2 LEU 48 3.584 -9.156 10.812 388 HB3 LEU 48 HB3 LEU 48 5.097 -8.274 10.719 389 HG LEU 48 HG LEU 48 3.036 -7.390 12.690 390 HD11 LEU 48 HD11 LEU 48 3.104 -9.748 13.103 391 HD12 LEU 48 HD12 LEU 48 4.048 -8.935 14.351 392 HD13 LEU 48 HD13 LEU 48 4.866 -9.759 13.023 393 HD21 LEU 48 HD21 LEU 48 6.011 -7.256 12.393 394 HD22 LEU 48 HD22 LEU 48 5.252 -7.040 13.971 395 HD23 LEU 48 HD23 LEU 48 4.852 -5.950 12.643 396 H CYS 49 H CYS 49 3.259 -4.642 10.152 397 HA CYS 49 HA CYS 49 5.925 -4.267 8.953 398 HB2 CYS 49 HB2 CYS 49 3.698 -2.267 8.650 399 HB3 CYS 49 HB3 CYS 49 5.168 -2.426 7.698 400 HG CYS 49 HG CYS 49 3.005 -4.628 7.435 401 H LEU 50 H LEU 50 6.779 -1.977 9.451 402 HA LEU 50 HA LEU 50 6.043 -1.217 12.198 403 HB2 LEU 50 HB2 LEU 50 8.885 -1.107 11.266 404 HB3 LEU 50 HB3 LEU 50 8.262 -1.124 12.904 405 HG LEU 50 HG LEU 50 7.503 -3.566 11.625 406 HD11 LEU 50 HD11 LEU 50 9.384 -3.122 10.109 407 HD12 LEU 50 HD12 LEU 50 9.668 -4.526 11.139 408 HD13 LEU 50 HD13 LEU 50 10.458 -2.991 11.501 409 HD21 LEU 50 HD21 LEU 50 9.039 -2.664 13.991 410 HD22 LEU 50 HD22 LEU 50 9.274 -4.328 13.456 411 HD23 LEU 50 HD23 LEU 50 7.660 -3.758 13.880 412 H ARG 51 H ARG 51 6.686 0.964 12.806 413 HA ARG 51 HA ARG 51 5.968 2.864 10.859 414 HB2 ARG 51 HB2 ARG 51 7.272 3.229 13.553 415 HB3 ARG 51 HB3 ARG 51 6.632 4.543 12.575 416 HG2 ARG 51 HG2 ARG 51 4.427 3.862 12.880 417 HG3 ARG 51 HG3 ARG 51 4.901 2.239 13.385 418 HD2 ARG 51 HD2 ARG 51 4.377 3.150 15.414 419 HD3 ARG 51 HD3 ARG 51 6.090 3.556 15.331 420 HE ARG 51 HE ARG 51 3.844 5.383 15.146 421 HH11 ARG 51 HH11 ARG 51 7.280 4.917 14.717 422 HH12 ARG 51 HH12 ARG 51 7.642 6.607 14.795 423 HH21 ARG 51 HH21 ARG 51 4.324 7.603 15.247 424 HH22 ARG 51 HH22 ARG 51 5.967 8.131 15.096 425 H LYS 52 H LYS 52 9.016 2.738 12.625 426 HA LYS 52 HA LYS 52 10.457 4.415 10.969 427 HB2 LYS 52 HB2 LYS 52 11.558 2.078 12.529 428 HB3 LYS 52 HB3 LYS 52 12.478 3.461 11.951 429 HG2 LYS 52 HG2 LYS 52 10.617 4.744 13.385 430 HG3 LYS 52 HG3 LYS 52 10.670 3.217 14.268 431 HD2 LYS 52 HD2 LYS 52 12.850 3.519 14.929 432 HD3 LYS 52 HD3 LYS 52 13.237 4.549 13.549 433 HE2 LYS 52 HE2 LYS 52 12.555 6.428 14.595 434 HE3 LYS 52 HE3 LYS 52 11.210 5.617 15.396 435 HZ1 LYS 52 HZ1 LYS 52 14.062 5.454 16.211 436 HZ2 LYS 52 HZ2 LYS 52 12.775 4.672 16.979 437 HZ3 LYS 52 HZ3 LYS 52 12.863 6.361 16.987 438 H HIS 53 H HIS 53 9.553 1.153 10.462 439 HA HIS 53 HA HIS 53 11.506 0.661 8.408 440 HB2 HIS 53 HB2 HIS 53 10.358 -1.051 9.956 441 HB3 HIS 53 HB3 HIS 53 9.001 -0.917 8.848 442 HD1 HIS 53 HD1 HIS 53 11.778 -2.996 9.428 443 HD2 HIS 53 HD2 HIS 53 10.088 -1.357 6.004 444 HE1 HIS 53 HE1 HIS 53 12.606 -4.415 7.525 445 HE2 HIS 53 HE2 HIS 53 11.500 -3.458 5.473 446 H LEU 54 H LEU 54 8.214 1.734 8.660 447 HA LEU 54 HA LEU 54 7.535 1.489 5.921 448 HB2 LEU 54 HB2 LEU 54 6.226 2.235 8.279 449 HB3 LEU 54 HB3 LEU 54 6.152 3.652 7.249 450 HG LEU 54 HG LEU 54 5.443 1.182 5.851 451 HD11 LEU 54 HD11 LEU 54 3.678 0.448 7.041 452 HD12 LEU 54 HD12 LEU 54 3.278 2.056 7.645 453 HD13 LEU 54 HD13 LEU 54 4.575 1.128 8.398 454 HD21 LEU 54 HD21 LEU 54 4.108 3.856 6.240 455 HD22 LEU 54 HD22 LEU 54 3.535 2.590 5.155 456 HD23 LEU 54 HD23 LEU 54 5.098 3.357 4.869 457 H LEU 55 H LEU 55 8.734 4.123 7.903 458 HA LEU 55 HA LEU 55 8.769 6.090 5.889 459 HB2 LEU 55 HB2 LEU 55 10.728 7.024 7.380 460 HB3 LEU 55 HB3 LEU 55 9.062 7.088 7.913 461 HG LEU 55 HG LEU 55 10.065 4.632 8.852 462 HD11 LEU 55 HD11 LEU 55 12.304 5.735 8.337 463 HD12 LEU 55 HD12 LEU 55 12.058 5.031 9.935 464 HD13 LEU 55 HD13 LEU 55 11.945 6.778 9.713 465 HD21 LEU 55 HD21 LEU 55 8.843 7.030 9.841 466 HD22 LEU 55 HD22 LEU 55 10.096 6.480 10.953 467 HD23 LEU 55 HD23 LEU 55 8.788 5.392 10.492 468 H GLU 56 H GLU 56 10.822 3.402 6.493 469 HA GLU 56 HA GLU 56 13.101 4.380 5.078 470 HB2 GLU 56 HB2 GLU 56 12.249 1.689 6.091 471 HB3 GLU 56 HB3 GLU 56 13.636 1.831 5.020 472 HG2 GLU 56 HG2 GLU 56 13.619 3.663 7.319 473 HG3 GLU 56 HG3 GLU 56 13.775 1.950 7.704 474 H GLU 57 H GLU 57 10.141 2.844 4.196 475 HA GLU 57 HA GLU 57 11.105 2.199 1.524 476 HB2 GLU 57 HB2 GLU 57 8.253 1.943 2.453 477 HB3 GLU 57 HB3 GLU 57 9.073 1.048 1.182 478 HG2 GLU 57 HG2 GLU 57 9.861 0.805 4.064 479 HG3 GLU 57 HG3 GLU 57 8.586 -0.179 3.348 480 H ILE 58 H ILE 58 9.438 4.677 3.196 481 HA ILE 58 HA ILE 58 8.349 5.852 0.780 482 HB ILE 58 HB ILE 58 8.453 7.208 3.462 483 HG12 ILE 58 HG12 ILE 58 7.345 4.731 3.200 484 HG13 ILE 58 HG13 ILE 58 6.785 5.945 4.340 485 HG21 ILE 58 HG21 ILE 58 6.450 8.340 2.635 486 HG22 ILE 58 HG22 ILE 58 6.533 7.401 1.144 487 HG23 ILE 58 HG23 ILE 58 7.810 8.555 1.532 488 HD11 ILE 58 HD11 ILE 58 5.020 6.600 2.864 489 HD12 ILE 58 HD12 ILE 58 4.984 4.845 3.044 490 HD13 ILE 58 HD13 ILE 58 5.651 5.568 1.580 491 H LYS 59 H LYS 59 11.172 5.957 2.724 492 HA LYS 59 HA LYS 59 12.109 8.539 1.992 493 HB2 LYS 59 HB2 LYS 59 12.923 7.143 3.945 494 HB3 LYS 59 HB3 LYS 59 13.791 6.155 2.779 495 HG2 LYS 59 HG2 LYS 59 15.486 7.573 2.799 496 HG3 LYS 59 HG3 LYS 59 14.422 8.889 2.296 497 HD2 LYS 59 HD2 LYS 59 15.014 9.780 4.282 498 HD3 LYS 59 HD3 LYS 59 13.767 8.700 4.911 499 HE2 LYS 59 HE2 LYS 59 16.394 7.446 4.593 500 HE3 LYS 59 HE3 LYS 59 16.367 8.774 5.753 501 HZ1 LYS 59 HZ1 LYS 59 14.186 6.866 5.957 502 HZ2 LYS 59 HZ2 LYS 59 15.083 7.621 7.176 503 HZ3 LYS 59 HZ3 LYS 59 15.717 6.275 6.371 504 H ASN 60 H ASN 60 12.249 5.345 0.570 505 HA ASN 60 HA ASN 60 14.046 6.248 -1.522 506 HB2 ASN 60 HB2 ASN 60 13.059 3.608 -0.575 507 HB3 ASN 60 HB3 ASN 60 13.491 3.746 -2.277 508 HD21 ASN 60 HD21 ASN 60 14.808 2.095 -0.441 509 HD22 ASN 60 HD22 ASN 60 16.429 2.666 -0.262 510 H HIS 61 H HIS 61 11.305 7.297 -1.218 511 HA HIS 61 HA HIS 61 10.528 7.208 -3.944 512 HB2 HIS 61 HB2 HIS 61 9.593 5.042 -2.804 513 HB3 HIS 61 HB3 HIS 61 8.409 6.143 -2.110 514 HD1 HIS 61 HD1 HIS 61 9.660 5.016 -5.507 515 HD2 HIS 61 HD2 HIS 61 6.313 6.739 -3.747 516 HE1 HIS 61 HE1 HIS 61 7.918 5.104 -7.319 517 HE2 HIS 61 HE2 HIS 61 5.877 6.080 -6.210 518 H ALA 62 H ALA 62 11.233 9.369 -2.653 519 HA ALA 62 HA ALA 62 10.553 11.530 -2.340 520 HB1 ALA 62 HB1 ALA 62 8.383 12.232 -2.859 521 HB2 ALA 62 HB2 ALA 62 7.679 10.670 -2.439 522 HB3 ALA 62 HB3 ALA 62 8.649 10.835 -3.903 523 H LYS 63 H LYS 63 11.256 11.818 -0.288 524 HA LYS 63 HA LYS 63 9.907 10.694 1.983 525 HB2 LYS 63 HB2 LYS 63 11.974 12.892 2.010 526 HB3 LYS 63 HB3 LYS 63 11.574 11.778 3.310 527 HG2 LYS 63 HG2 LYS 63 12.981 10.232 2.555 528 HG3 LYS 63 HG3 LYS 63 12.409 10.403 0.894 529 HD2 LYS 63 HD2 LYS 63 13.783 12.703 1.153 530 HD3 LYS 63 HD3 LYS 63 14.698 11.677 2.260 531 HE2 LYS 63 HE2 LYS 63 14.005 10.588 -0.419 532 HE3 LYS 63 HE3 LYS 63 15.270 11.813 -0.323 533 HZ1 LYS 63 HZ1 LYS 63 15.309 9.055 0.522 534 HZ2 LYS 63 HZ2 LYS 63 15.955 10.128 1.659 535 HZ3 LYS 63 HZ3 LYS 63 16.590 10.075 0.093 536 H ALA 64 H ALA 64 7.776 11.591 1.515 537 HA ALA 64 HA ALA 64 6.068 13.049 1.881 538 HB1 ALA 64 HB1 ALA 64 7.111 14.902 3.711 539 HB2 ALA 64 HB2 ALA 64 7.908 13.368 4.060 540 HB3 ALA 64 HB3 ALA 64 6.148 13.466 4.060 541 H ILE 65 H ILE 65 6.284 13.883 -0.277 542 HA ILE 65 HA ILE 65 7.903 16.009 -1.052 543 HB ILE 65 HB ILE 65 6.613 14.659 -2.645 544 HG12 ILE 65 HG12 ILE 65 5.490 17.322 -3.218 545 HG13 ILE 65 HG13 ILE 65 7.210 17.317 -2.840 546 HG21 ILE 65 HG21 ILE 65 4.345 14.566 -2.759 547 HG22 ILE 65 HG22 ILE 65 4.134 16.205 -2.143 548 HG23 ILE 65 HG23 ILE 65 4.518 14.889 -1.034 549 HD11 ILE 65 HD11 ILE 65 6.092 16.855 -5.298 550 HD12 ILE 65 HD12 ILE 65 6.462 15.231 -4.718 551 HD13 ILE 65 HD13 ILE 65 7.738 16.445 -4.815 552 H VAL 66 H VAL 66 8.029 17.979 -0.231 553 HA VAL 66 HA VAL 66 7.516 19.863 0.955 554 HB VAL 66 HB VAL 66 6.633 20.408 -1.271 555 HG11 VAL 66 HG11 VAL 66 4.091 20.338 -1.506 556 HG12 VAL 66 HG12 VAL 66 4.123 19.171 -0.185 557 HG13 VAL 66 HG13 VAL 66 4.966 18.819 -1.694 558 HG21 VAL 66 HG21 VAL 66 5.850 22.390 -0.559 559 HG22 VAL 66 HG22 VAL 66 6.225 21.761 1.045 560 HG23 VAL 66 HG23 VAL 66 4.580 21.653 0.418 561 H ALA 67 H ALA 67 6.905 17.694 2.492 562 HA ALA 67 HA ALA 67 4.489 18.611 3.902 563 HB1 ALA 67 HB1 ALA 67 5.312 15.737 3.500 564 HB2 ALA 67 HB2 ALA 67 3.944 16.544 2.735 565 HB3 ALA 67 HB3 ALA 67 3.955 16.292 4.480 566 H ARG 68 H ARG 68 4.534 17.221 6.154 567 HA ARG 68 HA ARG 68 6.869 18.237 7.502 568 HB2 ARG 68 HB2 ARG 68 4.372 16.866 8.470 569 HB3 ARG 68 HB3 ARG 68 5.687 17.311 9.549 570 HG2 ARG 68 HG2 ARG 68 5.295 19.667 8.332 571 HG3 ARG 68 HG3 ARG 68 3.666 18.997 8.222 572 HD2 ARG 68 HD2 ARG 68 3.517 19.999 10.264 573 HD3 ARG 68 HD3 ARG 68 4.123 18.421 10.763 574 HE ARG 68 HE ARG 68 6.198 20.333 10.221 575 HH11 ARG 68 HH11 ARG 68 3.985 19.125 12.634 576 HH12 ARG 68 HH12 ARG 68 4.951 19.659 13.968 577 HH21 ARG 68 HH21 ARG 68 7.471 21.035 11.974 578 HH22 ARG 68 HH22 ARG 68 6.930 20.744 13.594 579 H ASN 69 H ASN 69 5.262 15.103 7.613 580 HA ASN 69 HA ASN 69 7.843 13.755 7.413 581 HB2 ASN 69 HB2 ASN 69 5.891 13.129 9.637 582 HB3 ASN 69 HB3 ASN 69 7.459 12.375 9.366 583 HD21 ASN 69 HD21 ASN 69 5.813 15.287 10.360 584 HD22 ASN 69 HD22 ASN 69 7.160 16.007 11.167 585 H VAL 70 H VAL 70 7.204 11.188 7.717 586 HA VAL 70 HA VAL 70 5.613 10.654 5.403 587 HB VAL 70 HB VAL 70 7.605 9.300 5.979 588 HG11 VAL 70 HG11 VAL 70 5.898 8.513 8.313 589 HG12 VAL 70 HG12 VAL 70 7.586 9.026 8.288 590 HG13 VAL 70 HG13 VAL 70 7.139 7.429 7.685 591 HG21 VAL 70 HG21 VAL 70 5.018 8.337 5.159 592 HG22 VAL 70 HG22 VAL 70 5.940 7.060 5.951 593 HG23 VAL 70 HG23 VAL 70 6.619 7.906 4.561 594 H ASP 71 H ASP 71 5.005 10.787 8.785 595 HA ASP 71 HA ASP 71 2.664 9.133 8.747 596 HB2 ASP 71 HB2 ASP 71 4.276 10.372 10.736 597 HB3 ASP 71 HB3 ASP 71 2.623 10.936 10.965 598 H VAL 72 H VAL 72 3.376 12.517 8.413 599 HA VAL 72 HA VAL 72 0.690 13.440 8.600 600 HB VAL 72 HB VAL 72 2.973 14.794 7.160 601 HG11 VAL 72 HG11 VAL 72 0.748 15.721 6.713 602 HG12 VAL 72 HG12 VAL 72 1.751 16.844 7.632 603 HG13 VAL 72 HG13 VAL 72 0.488 15.921 8.446 604 HG21 VAL 72 HG21 VAL 72 2.438 14.411 10.036 605 HG22 VAL 72 HG22 VAL 72 2.876 16.046 9.539 606 HG23 VAL 72 HG23 VAL 72 3.959 14.698 9.191 607 H HIS 73 H HIS 73 2.607 12.025 6.117 608 HA HIS 73 HA HIS 73 1.101 12.912 3.882 609 HB2 HIS 73 HB2 HIS 73 3.345 11.151 4.373 610 HB3 HIS 73 HB3 HIS 73 2.228 10.429 3.220 611 HD1 HIS 73 HD1 HIS 73 2.998 14.122 3.453 612 HD2 HIS 73 HD2 HIS 73 3.670 10.887 0.933 613 HE1 HIS 73 HE1 HIS 73 4.007 15.095 1.365 614 HE2 HIS 73 HE2 HIS 73 4.463 13.112 -0.121 615 H ILE 74 H ILE 74 0.711 10.417 6.236 616 HA ILE 74 HA ILE 74 -1.049 8.733 4.817 617 HB ILE 74 HB ILE 74 -0.849 9.197 7.795 618 HG12 ILE 74 HG12 ILE 74 1.234 8.394 6.694 619 HG13 ILE 74 HG13 ILE 74 0.564 7.233 7.837 620 HG21 ILE 74 HG21 ILE 74 -1.899 6.937 7.958 621 HG22 ILE 74 HG22 ILE 74 -2.235 7.029 6.229 622 HG23 ILE 74 HG23 ILE 74 -2.967 8.193 7.333 623 HD11 ILE 74 HD11 ILE 74 0.878 5.766 6.187 624 HD12 ILE 74 HD12 ILE 74 0.962 7.024 4.954 625 HD13 ILE 74 HD13 ILE 74 -0.605 6.445 5.516 626 H ALA 75 H ALA 75 -1.506 11.635 6.690 627 HA ALA 75 HA ALA 75 -4.340 11.482 6.807 628 HB1 ALA 75 HB1 ALA 75 -2.861 14.065 7.031 629 HB2 ALA 75 HB2 ALA 75 -2.705 12.842 8.292 630 HB3 ALA 75 HB3 ALA 75 -4.289 13.515 7.907 631 H SER 76 H SER 76 -2.050 12.827 4.572 632 HA SER 76 HA SER 76 -3.998 14.321 3.089 633 HB2 SER 76 HB2 SER 76 -1.410 13.502 1.847 634 HB3 SER 76 HB3 SER 76 -2.247 15.052 1.772 635 HG SER 76 HG SER 76 -1.279 15.672 3.550 636 H LEU 77 H LEU 77 -2.629 11.136 2.973 637 HA LEU 77 HA LEU 77 -3.572 10.447 0.396 638 HB2 LEU 77 HB2 LEU 77 -1.827 9.123 1.377 639 HB3 LEU 77 HB3 LEU 77 -2.816 8.769 2.781 640 HG LEU 77 HG LEU 77 -4.307 7.399 1.424 641 HD11 LEU 77 HD11 LEU 77 -3.357 6.864 -0.945 642 HD12 LEU 77 HD12 LEU 77 -2.630 8.463 -0.799 643 HD13 LEU 77 HD13 LEU 77 -4.379 8.279 -0.698 644 HD21 LEU 77 HD21 LEU 77 -1.755 6.759 2.209 645 HD22 LEU 77 HD22 LEU 77 -1.788 6.244 0.522 646 HD23 LEU 77 HD23 LEU 77 -2.982 5.618 1.659 647 H ARG 78 H ARG 78 -4.910 10.376 3.605 648 HA ARG 78 HA ARG 78 -7.178 8.807 3.130 649 HB2 ARG 78 HB2 ARG 78 -6.167 10.431 5.240 650 HB3 ARG 78 HB3 ARG 78 -7.841 10.895 4.964 651 HG2 ARG 78 HG2 ARG 78 -8.654 8.818 5.544 652 HG3 ARG 78 HG3 ARG 78 -7.125 8.008 5.198 653 HD2 ARG 78 HD2 ARG 78 -6.145 8.755 7.185 654 HD3 ARG 78 HD3 ARG 78 -7.358 10.014 7.414 655 HE ARG 78 HE ARG 78 -7.548 7.255 8.202 656 HH11 ARG 78 HH11 ARG 78 -9.350 10.134 7.397 657 HH12 ARG 78 HH12 ARG 78 -10.758 9.651 8.282 658 HH21 ARG 78 HH21 ARG 78 -9.400 6.618 9.365 659 HH22 ARG 78 HH22 ARG 78 -10.786 7.655 9.400 660 H LYS 79 H LYS 79 -6.373 11.997 2.135 661 HA LYS 79 HA LYS 79 -8.983 13.009 1.759 662 HB2 LYS 79 HB2 LYS 79 -6.756 14.289 1.793 663 HB3 LYS 79 HB3 LYS 79 -6.608 13.812 0.107 664 HG2 LYS 79 HG2 LYS 79 -8.943 14.861 -0.169 665 HG3 LYS 79 HG3 LYS 79 -8.605 15.640 1.378 666 HD2 LYS 79 HD2 LYS 79 -6.536 15.780 -0.757 667 HD3 LYS 79 HD3 LYS 79 -7.975 16.789 -0.919 668 HE2 LYS 79 HE2 LYS 79 -7.465 18.052 0.926 669 HE3 LYS 79 HE3 LYS 79 -6.545 16.758 1.691 670 HZ1 LYS 79 HZ1 LYS 79 -5.018 17.203 -0.412 671 HZ2 LYS 79 HZ2 LYS 79 -4.835 18.059 1.035 672 HZ3 LYS 79 HZ3 LYS 79 -5.685 18.750 -0.254 673 H LYS 80 H LYS 80 -6.709 11.502 -0.462 674 HA LYS 80 HA LYS 80 -8.731 11.356 -2.516 675 HB2 LYS 80 HB2 LYS 80 -5.806 11.114 -2.420 676 HB3 LYS 80 HB3 LYS 80 -6.597 10.041 -3.567 677 HG2 LYS 80 HG2 LYS 80 -6.846 11.700 -5.008 678 HG3 LYS 80 HG3 LYS 80 -7.717 12.657 -3.808 679 HD2 LYS 80 HD2 LYS 80 -5.559 13.428 -2.897 680 HD3 LYS 80 HD3 LYS 80 -4.722 12.517 -4.155 681 HE2 LYS 80 HE2 LYS 80 -6.824 14.417 -5.023 682 HE3 LYS 80 HE3 LYS 80 -5.324 15.105 -4.402 683 HZ1 LYS 80 HZ1 LYS 80 -4.637 14.840 -6.503 684 HZ2 LYS 80 HZ2 LYS 80 -5.821 13.691 -6.874 685 HZ3 LYS 80 HZ3 LYS 80 -4.409 13.219 -6.072 686 H LEU 81 H LEU 81 -6.744 9.185 -0.618 687 HA LEU 81 HA LEU 81 -7.736 6.767 -1.668 688 HB2 LEU 81 HB2 LEU 81 -5.670 6.819 -0.444 689 HB3 LEU 81 HB3 LEU 81 -6.475 7.420 0.990 690 HG LEU 81 HG LEU 81 -7.657 5.280 1.225 691 HD11 LEU 81 HD11 LEU 81 -6.155 4.625 -1.286 692 HD12 LEU 81 HD12 LEU 81 -7.875 4.438 -0.942 693 HD13 LEU 81 HD13 LEU 81 -6.701 3.367 -0.177 694 HD21 LEU 81 HD21 LEU 81 -4.700 4.821 0.923 695 HD22 LEU 81 HD22 LEU 81 -5.811 4.038 2.046 696 HD23 LEU 81 HD23 LEU 81 -5.407 5.743 2.248 697 H GLY 82 H GLY 82 -8.365 7.994 1.630 698 HA2 GLY 82 HA2 GLY 82 -10.777 8.408 2.170 699 HA3 GLY 82 HA3 GLY 82 -11.089 6.871 1.381 700 H ALA 83 H ALA 83 -11.896 5.707 3.036 701 HA ALA 83 HA ALA 83 -10.869 5.779 5.687 702 HB1 ALA 83 HB1 ALA 83 -13.141 5.210 5.455 703 HB2 ALA 83 HB2 ALA 83 -12.333 3.731 5.975 704 HB3 ALA 83 HB3 ALA 83 -12.786 3.940 4.284 705 H TYR 84 H TYR 84 -9.681 4.304 2.911 706 HA TYR 84 HA TYR 84 -8.648 1.919 4.071 707 HB2 TYR 84 HB2 TYR 84 -7.681 3.294 1.562 708 HB3 TYR 84 HB3 TYR 84 -7.498 1.597 1.989 709 HD1 TYR 84 HD1 TYR 84 -9.864 4.169 0.842 710 HD2 TYR 84 HD2 TYR 84 -9.295 0.033 1.660 711 HE1 TYR 84 HE1 TYR 84 -11.959 3.654 -0.337 712 HE2 TYR 84 HE2 TYR 84 -11.388 -0.494 0.482 713 HH TYR 84 HH TYR 84 -13.540 0.734 -0.086 714 H GLY 85 H GLY 85 -7.515 5.209 3.601 715 HA2 GLY 85 HA2 GLY 85 -4.789 4.860 4.099 716 HA3 GLY 85 HA3 GLY 85 -5.702 6.304 4.512 717 H SER 86 H SER 86 -7.533 4.803 6.231 718 HA SER 86 HA SER 86 -6.114 5.053 8.671 719 HB2 SER 86 HB2 SER 86 -8.700 5.221 8.123 720 HB3 SER 86 HB3 SER 86 -8.666 3.503 8.519 721 HG SER 86 HG SER 86 -8.203 3.960 10.558 722 H ARG 87 H ARG 87 -6.284 2.567 6.359 723 HA ARG 87 HA ARG 87 -6.307 0.198 7.701 724 HB2 ARG 87 HB2 ARG 87 -5.083 1.164 5.252 725 HB3 ARG 87 HB3 ARG 87 -4.186 -0.152 5.982 726 HG2 ARG 87 HG2 ARG 87 -5.827 -0.967 4.399 727 HG3 ARG 87 HG3 ARG 87 -6.177 -1.529 6.025 728 HD2 ARG 87 HD2 ARG 87 -7.575 0.831 5.873 729 HD3 ARG 87 HD3 ARG 87 -7.743 0.173 4.246 730 HE ARG 87 HE ARG 87 -8.335 -1.946 5.795 731 HH11 ARG 87 HH11 ARG 87 -9.480 1.352 5.791 732 HH12 ARG 87 HH12 ARG 87 -11.047 0.940 6.402 733 HH21 ARG 87 HH21 ARG 87 -10.396 -2.488 6.598 734 HH22 ARG 87 HH22 ARG 87 -11.567 -1.239 6.861 735 H ILE 88 H ILE 88 -3.816 2.643 7.772 736 HA ILE 88 HA ILE 88 -1.680 1.195 8.803 737 HB ILE 88 HB ILE 88 -1.117 3.436 9.936 738 HG12 ILE 88 HG12 ILE 88 -2.806 4.917 8.118 739 HG13 ILE 88 HG13 ILE 88 -3.773 3.981 9.254 740 HG21 ILE 88 HG21 ILE 88 -0.149 4.235 7.972 741 HG22 ILE 88 HG22 ILE 88 -1.470 3.628 6.973 742 HG23 ILE 88 HG23 ILE 88 -0.321 2.502 7.695 743 HD11 ILE 88 HD11 ILE 88 -2.339 4.999 11.078 744 HD12 ILE 88 HD12 ILE 88 -3.467 6.075 10.252 745 HD13 ILE 88 HD13 ILE 88 -1.752 6.113 9.843 746 H VAL 89 H VAL 89 -2.431 -0.328 10.313 747 HA VAL 89 HA VAL 89 -3.754 0.629 12.721 748 HB VAL 89 HB VAL 89 -2.926 -2.180 11.978 749 HG11 VAL 89 HG11 VAL 89 -3.640 -1.191 14.456 750 HG12 VAL 89 HG12 VAL 89 -3.693 -2.878 13.948 751 HG13 VAL 89 HG13 VAL 89 -5.139 -1.877 13.830 752 HG21 VAL 89 HG21 VAL 89 -5.577 -2.242 11.767 753 HG22 VAL 89 HG22 VAL 89 -4.532 -1.820 10.411 754 HG23 VAL 89 HG23 VAL 89 -5.318 -0.549 11.347 755 H THR 90 H THR 90 -2.684 1.232 14.466 756 HA THR 90 HA THR 90 0.143 0.560 14.736 757 HB THR 90 HB THR 90 -1.359 2.299 16.663 758 HG1 THR 90 HG1 THR 90 -1.868 3.572 15.091 759 HG21 THR 90 HG21 THR 90 1.095 3.400 15.788 760 HG22 THR 90 HG22 THR 90 1.367 1.706 16.196 761 HG23 THR 90 HG23 THR 90 0.662 2.799 17.388 762 H LEU 91 H LEU 91 -0.100 -1.641 15.292 763 HA LEU 91 HA LEU 91 -1.688 -2.517 17.474 764 HB2 LEU 91 HB2 LEU 91 0.428 -3.705 15.753 765 HB3 LEU 91 HB3 LEU 91 0.057 -4.510 17.265 766 HG LEU 91 HG LEU 91 -2.227 -3.819 15.492 767 HD11 LEU 91 HD11 LEU 91 -0.114 -4.978 14.281 768 HD12 LEU 91 HD12 LEU 91 -1.794 -5.286 13.842 769 HD13 LEU 91 HD13 LEU 91 -0.943 -6.402 14.910 770 HD21 LEU 91 HD21 LEU 91 -1.926 -6.485 16.685 771 HD22 LEU 91 HD22 LEU 91 -3.304 -5.384 16.690 772 HD23 LEU 91 HD23 LEU 91 -1.987 -5.153 17.840 773 H ARG 92 H ARG 92 -1.343 -2.125 19.547 774 HA ARG 92 HA ARG 92 1.112 -1.084 20.538 775 HB2 ARG 92 HB2 ARG 92 -1.305 -2.156 22.007 776 HB3 ARG 92 HB3 ARG 92 0.026 -1.293 22.764 777 HG2 ARG 92 HG2 ARG 92 -1.704 -0.133 20.594 778 HG3 ARG 92 HG3 ARG 92 -1.995 0.090 22.320 779 HD2 ARG 92 HD2 ARG 92 -0.232 1.501 22.574 780 HD3 ARG 92 HD3 ARG 92 0.724 0.705 21.325 781 HE ARG 92 HE ARG 92 -0.148 2.153 19.778 782 HH11 ARG 92 HH11 ARG 92 -2.049 2.331 22.699 783 HH12 ARG 92 HH12 ARG 92 -2.966 3.700 22.168 784 HH21 ARG 92 HH21 ARG 92 -1.353 3.954 19.077 785 HH22 ARG 92 HH22 ARG 92 -2.572 4.622 20.111 786 H GLY 93 H GLY 93 2.369 -2.939 19.597 787 HA2 GLY 93 HA2 GLY 93 3.741 -4.411 21.316 788 HA3 GLY 93 HA3 GLY 93 2.289 -5.392 21.176 789 H VAL 94 H VAL 94 1.927 -4.627 18.346 790 HA VAL 94 HA VAL 94 3.852 -6.527 17.226 791 HB VAL 94 HB VAL 94 1.488 -5.392 15.751 792 HG11 VAL 94 HG11 VAL 94 2.606 -8.150 15.486 793 HG12 VAL 94 HG12 VAL 94 3.417 -6.786 14.717 794 HG13 VAL 94 HG13 VAL 94 1.747 -7.168 14.298 795 HG21 VAL 94 HG21 VAL 94 0.876 -7.977 16.768 796 HG22 VAL 94 HG22 VAL 94 0.033 -6.454 17.046 797 HG23 VAL 94 HG23 VAL 94 1.340 -6.946 18.121 798 H GLY 95 H GLY 95 2.544 -3.279 16.670 799 HA2 GLY 95 HA2 GLY 95 4.392 -1.646 16.106 800 HA3 GLY 95 HA3 GLY 95 4.791 -2.776 14.821 801 H TYR 96 H TYR 96 3.967 -2.368 12.890 802 HA TYR 96 HA TYR 96 1.534 -0.714 12.723 803 HB2 TYR 96 HB2 TYR 96 4.099 -0.017 11.860 804 HB3 TYR 96 HB3 TYR 96 3.250 -0.484 10.391 805 HD1 TYR 96 HD1 TYR 96 2.417 1.442 13.493 806 HD2 TYR 96 HD2 TYR 96 2.338 1.286 9.243 807 HE1 TYR 96 HE1 TYR 96 1.325 3.646 13.439 808 HE2 TYR 96 HE2 TYR 96 1.248 3.489 9.176 809 HH TYR 96 HH TYR 96 -0.058 4.980 11.957 810 H LEU 97 H LEU 97 -0.047 -2.043 12.072 811 HA LEU 97 HA LEU 97 0.563 -3.979 9.935 812 HB2 LEU 97 HB2 LEU 97 -0.421 -4.577 12.353 813 HB3 LEU 97 HB3 LEU 97 -1.928 -4.233 11.525 814 HG LEU 97 HG LEU 97 0.100 -6.344 10.795 815 HD11 LEU 97 HD11 LEU 97 -2.494 -6.308 12.197 816 HD12 LEU 97 HD12 LEU 97 -1.122 -7.403 12.368 817 HD13 LEU 97 HD13 LEU 97 -2.253 -7.608 11.030 818 HD21 LEU 97 HD21 LEU 97 -1.898 -6.894 9.153 819 HD22 LEU 97 HD22 LEU 97 -0.596 -5.797 8.694 820 HD23 LEU 97 HD23 LEU 97 -2.139 -5.150 9.252 821 H PHE 98 H PHE 98 -0.568 -3.944 8.074 822 HA PHE 98 HA PHE 98 -2.433 -1.721 7.691 823 HB2 PHE 98 HB2 PHE 98 -0.403 -2.127 6.175 824 HB3 PHE 98 HB3 PHE 98 -1.304 -3.494 5.529 825 HD1 PHE 98 HD1 PHE 98 -1.180 0.162 5.810 826 HD2 PHE 98 HD2 PHE 98 -3.176 -3.173 4.077 827 HE1 PHE 98 HE1 PHE 98 -2.337 1.671 4.249 828 HE2 PHE 98 HE2 PHE 98 -4.337 -1.670 2.512 829 HZ PHE 98 HZ PHE 98 -3.918 0.755 2.597 830 H SER 99 H SER 99 -3.979 -3.076 8.999 831 HA SER 99 HA SER 99 -5.065 -5.476 8.060 832 HB2 SER 99 HB2 SER 99 -6.595 -3.349 9.565 833 HB3 SER 99 HB3 SER 99 -6.882 -5.089 9.572 834 HG SER 99 HG SER 99 -4.700 -5.239 10.494 835 H ASP 100 H ASP 100 -5.449 -5.449 5.859 836 HA ASP 100 HA ASP 100 -7.741 -3.815 5.021 837 HB2 ASP 100 HB2 ASP 100 -5.685 -2.885 4.047 838 HB3 ASP 100 HB3 ASP 100 -5.315 -4.449 3.337 839 H ASP 101 H ASP 101 -5.871 -6.212 3.268 840 HA ASP 101 HA ASP 101 -8.262 -7.862 3.072 841 HB2 ASP 101 HB2 ASP 101 -6.754 -8.684 0.979 842 HB3 ASP 101 HB3 ASP 101 -7.988 -7.437 0.867 843 H GLY 102 H GLY 102 -4.787 -8.349 2.479 844 HA2 GLY 102 HA2 GLY 102 -3.512 -9.699 4.109 845 HA3 GLY 102 HA3 GLY 102 -4.933 -10.725 4.233 846 H ASP 103 H ASP 103 -3.833 -9.451 1.172 847 HA ASP 103 HA ASP 103 -2.771 -12.074 0.467 848 HB2 ASP 103 HB2 ASP 103 -5.071 -11.831 -0.419 849 HB3 ASP 103 HB3 ASP 103 -4.557 -10.393 -1.295 850 H LYS 104 H LYS 104 -1.233 -12.085 -1.271 851 HA LYS 104 HA LYS 104 -0.072 -9.479 -1.878 852 HB2 LYS 104 HB2 LYS 104 1.107 -11.615 -0.359 853 HB3 LYS 104 HB3 LYS 104 2.043 -11.341 -1.822 854 HG2 LYS 104 HG2 LYS 104 2.902 -9.446 -1.038 855 HG3 LYS 104 HG3 LYS 104 1.329 -8.863 -0.491 856 HD2 LYS 104 HD2 LYS 104 1.689 -9.529 1.622 857 HD3 LYS 104 HD3 LYS 104 2.403 -11.061 1.116 858 HE2 LYS 104 HE2 LYS 104 4.070 -8.731 0.531 859 HE3 LYS 104 HE3 LYS 104 3.759 -8.966 2.250 860 HZ1 LYS 104 HZ1 LYS 104 4.956 -10.859 2.300 861 HZ2 LYS 104 HZ2 LYS 104 5.721 -10.180 0.953 862 HZ3 LYS 104 HZ3 LYS 104 4.506 -11.337 0.739 863 H LYS 105 H LYS 105 1.513 -9.621 -3.747 864 HA LYS 105 HA LYS 105 0.286 -10.427 -6.057 865 HB2 LYS 105 HB2 LYS 105 2.653 -10.447 -7.042 866 HB3 LYS 105 HB3 LYS 105 2.094 -8.956 -6.297 867 HG2 LYS 105 HG2 LYS 105 3.471 -9.209 -4.450 868 HG3 LYS 105 HG3 LYS 105 3.673 -10.942 -4.716 869 HD2 LYS 105 HD2 LYS 105 4.616 -9.292 -6.939 870 HD3 LYS 105 HD3 LYS 105 5.474 -8.999 -5.425 871 HE2 LYS 105 HE2 LYS 105 5.009 -11.762 -6.519 872 HE3 LYS 105 HE3 LYS 105 6.421 -10.797 -6.948 873 HZ1 LYS 105 HZ1 LYS 105 5.784 -12.145 -4.457 874 HZ2 LYS 105 HZ2 LYS 105 6.485 -10.615 -4.297 875 HZ3 LYS 105 HZ3 LYS 105 7.289 -11.825 -5.163 876 H PHE 106 H PHE 106 0.076 -12.257 -7.215 877 HA PHE 106 HA PHE 106 0.584 -14.756 -6.003 878 HB2 PHE 106 HB2 PHE 106 -0.667 -13.777 -8.458 879 HB3 PHE 106 HB3 PHE 106 0.147 -15.323 -8.672 880 HD1 PHE 106 HD1 PHE 106 -0.309 -16.939 -6.502 881 HD2 PHE 106 HD2 PHE 106 -2.903 -13.932 -8.031 882 HE1 PHE 106 HE1 PHE 106 -2.235 -18.094 -5.495 883 HE2 PHE 106 HE2 PHE 106 -4.833 -15.080 -7.027 884 HZ PHE 106 HZ PHE 106 -4.500 -17.164 -5.756 885 H SER 107 H SER 107 2.221 -16.183 -6.218 886 HA SER 107 HA SER 107 4.717 -15.312 -7.196 887 HB2 SER 107 HB2 SER 107 4.961 -18.053 -7.003 888 HB3 SER 107 HB3 SER 107 5.211 -16.911 -5.684 889 HG SER 107 HG SER 107 3.522 -18.809 -5.645 890 H GLN 108 H GLN 108 5.884 -15.874 -9.015 891 HA GLN 108 HA GLN 108 4.446 -16.265 -11.396 892 HB2 GLN 108 HB2 GLN 108 7.167 -15.754 -10.629 893 HB3 GLN 108 HB3 GLN 108 7.135 -17.005 -11.864 894 HG2 GLN 108 HG2 GLN 108 5.518 -15.362 -13.081 895 HG3 GLN 108 HG3 GLN 108 6.258 -14.163 -12.022 896 HE21 GLN 108 HE21 GLN 108 6.701 -16.265 -14.722 897 HE22 GLN 108 HE22 GLN 108 8.259 -15.686 -15.191 898 H GLN 109 H GLN 109 6.584 -18.476 -9.602 899 HA GLN 109 HA GLN 109 6.306 -20.685 -11.294 900 HB2 GLN 109 HB2 GLN 109 7.372 -20.151 -8.649 901 HB3 GLN 109 HB3 GLN 109 6.605 -21.731 -8.719 902 HG2 GLN 109 HG2 GLN 109 8.794 -22.185 -9.293 903 HG3 GLN 109 HG3 GLN 109 7.992 -22.070 -10.859 904 HE21 GLN 109 HE21 GLN 109 8.152 -19.998 -11.981 905 HE22 GLN 109 HE22 GLN 109 9.596 -19.066 -11.805 906 H ASP 110 H ASP 110 5.101 -22.656 -10.977 907 HA ASP 110 HA ASP 110 2.744 -22.533 -9.284 908 HB2 ASP 110 HB2 ASP 110 2.387 -21.520 -11.727 909 HB3 ASP 110 HB3 ASP 110 2.192 -23.223 -12.129 910 H THR 111 H THR 111 5.148 -24.171 -9.435 911 HA THR 111 HA THR 111 4.677 -26.669 -10.615 912 HB THR 111 HB THR 111 6.888 -26.093 -9.875 913 HG1 THR 111 HG1 THR 111 5.942 -28.144 -8.167 914 HG21 THR 111 HG21 THR 111 7.426 -26.088 -7.422 915 HG22 THR 111 HG22 THR 111 5.696 -25.910 -7.128 916 HG23 THR 111 HG23 THR 111 6.571 -24.669 -8.025 917 H LYS 112 H LYS 112 3.751 -28.550 -9.883 918 HA LYS 112 HA LYS 112 2.726 -28.800 -7.226 919 HB2 LYS 112 HB2 LYS 112 0.941 -28.079 -9.493 920 HB3 LYS 112 HB3 LYS 112 0.351 -29.269 -8.342 921 HG2 LYS 112 HG2 LYS 112 -0.328 -27.579 -7.083 922 HG3 LYS 112 HG3 LYS 112 1.371 -27.229 -6.760 923 HD2 LYS 112 HD2 LYS 112 1.264 -25.328 -7.918 924 HD3 LYS 112 HD3 LYS 112 0.584 -26.158 -9.319 925 HE2 LYS 112 HE2 LYS 112 -0.999 -24.519 -8.665 926 HE3 LYS 112 HE3 LYS 112 -1.642 -26.078 -8.150 927 HZ1 LYS 112 HZ1 LYS 112 -0.844 -25.624 -5.913 928 HZ2 LYS 112 HZ2 LYS 112 -1.900 -24.408 -6.429 929 HZ3 LYS 112 HZ3 LYS 112 -0.232 -24.127 -6.409 930 H LEU 113 H LEU 113 1.705 -30.904 -6.856 931 HA LEU 113 HA LEU 113 2.007 -32.885 -8.931 932 HB2 LEU 113 HB2 LEU 113 3.329 -34.357 -7.320 933 HB3 LEU 113 HB3 LEU 113 4.192 -33.065 -8.132 934 HG LEU 113 HG LEU 113 3.071 -32.410 -5.471 935 HD11 LEU 113 HD11 LEU 113 5.659 -33.865 -5.471 936 HD12 LEU 113 HD12 LEU 113 4.172 -34.814 -5.516 937 HD13 LEU 113 HD13 LEU 113 4.458 -33.685 -4.192 938 HD21 LEU 113 HD21 LEU 113 5.887 -31.927 -6.199 939 HD22 LEU 113 HD22 LEU 113 4.703 -30.851 -5.457 940 HD23 LEU 113 HD23 LEU 113 4.678 -31.124 -7.200 941 H SER 114 H SER 114 -0.046 -33.591 -8.871 942 HA SER 114 HA SER 114 -1.632 -33.763 -6.550 943 HB2 SER 114 HB2 SER 114 -2.197 -33.837 -9.175 944 HB3 SER 114 HB3 SER 114 -2.257 -35.565 -8.829 945 HG SER 114 HG SER 114 -3.904 -33.503 -7.929 946 H LEU 115 H LEU 115 -0.146 -34.871 -5.101 947 HA LEU 115 HA LEU 115 0.779 -37.474 -5.485 948 HB2 LEU 115 HB2 LEU 115 0.891 -37.477 -2.964 949 HB3 LEU 115 HB3 LEU 115 1.773 -36.207 -3.777 950 HG LEU 115 HG LEU 115 -0.555 -34.924 -3.315 951 HD11 LEU 115 HD11 LEU 115 -0.391 -37.162 -1.374 952 HD12 LEU 115 HD12 LEU 115 -1.801 -36.375 -2.085 953 HD13 LEU 115 HD13 LEU 115 -0.910 -35.583 -0.785 954 HD21 LEU 115 HD21 LEU 115 1.863 -34.367 -2.694 955 HD22 LEU 115 HD22 LEU 115 1.509 -35.140 -1.149 956 HD23 LEU 115 HD23 LEU 115 0.585 -33.728 -1.661 957 H GLU 116 H GLU 116 -0.038 -39.469 -4.965 958 HA GLU 116 HA GLU 116 -2.843 -39.562 -4.072 959 HB2 GLU 116 HB2 GLU 116 -2.392 -40.044 -6.565 960 HB3 GLU 116 HB3 GLU 116 -1.678 -41.550 -6.006 961 HG2 GLU 116 HG2 GLU 116 -4.043 -41.601 -4.700 962 HG3 GLU 116 HG3 GLU 116 -4.491 -40.733 -6.167 Start of MODEL 10 1 H1 HIS 1 H1 HIS 1 12.458 -16.898 -2.651 2 H2 HIS 1 H2 HIS 1 12.760 -15.409 -1.852 3 H3 HIS 1 H3 HIS 1 13.016 -15.545 -3.544 4 HA HIS 1 HA HIS 1 11.045 -14.441 -3.382 5 HB2 HIS 1 HB2 HIS 1 10.653 -17.412 -3.730 6 HB3 HIS 1 HB3 HIS 1 9.349 -16.263 -4.009 7 HD1 HIS 1 HD1 HIS 1 12.951 -16.682 -5.188 8 HD2 HIS 1 HD2 HIS 1 9.222 -15.506 -6.594 9 HE1 HIS 1 HE1 HIS 1 13.283 -16.172 -7.628 10 HE2 HIS 1 HE2 HIS 1 10.997 -15.536 -8.475 11 H SER 2 H SER 2 11.168 -13.816 -1.044 12 HA SER 2 HA SER 2 9.138 -15.247 0.542 13 HB2 SER 2 HB2 SER 2 11.419 -15.233 1.535 14 HB3 SER 2 HB3 SER 2 11.367 -13.471 1.565 15 HG SER 2 HG SER 2 10.740 -14.552 3.561 16 H VAL 3 H VAL 3 10.512 -11.981 0.119 17 HA VAL 3 HA VAL 3 8.210 -10.679 1.179 18 HB VAL 3 HB VAL 3 9.267 -8.606 0.173 19 HG11 VAL 3 HG11 VAL 3 11.385 -8.944 1.717 20 HG12 VAL 3 HG12 VAL 3 10.499 -10.387 2.209 21 HG13 VAL 3 HG13 VAL 3 9.764 -8.794 2.393 22 HG21 VAL 3 HG21 VAL 3 10.614 -10.375 -1.410 23 HG22 VAL 3 HG22 VAL 3 11.824 -9.988 -0.188 24 HG23 VAL 3 HG23 VAL 3 11.086 -8.698 -1.138 25 HA PRO 4 HA PRO 4 5.773 -11.186 -2.587 26 HB2 PRO 4 HB2 PRO 4 3.940 -9.359 -1.158 27 HB3 PRO 4 HB3 PRO 4 3.633 -10.963 -1.828 28 HG2 PRO 4 HG2 PRO 4 3.814 -10.569 0.814 29 HG3 PRO 4 HG3 PRO 4 4.425 -12.048 0.051 30 HD2 PRO 4 HD2 PRO 4 5.931 -9.660 1.034 31 HD3 PRO 4 HD3 PRO 4 6.356 -11.382 1.131 32 H GLU 5 H GLU 5 4.364 -9.474 -3.852 33 HA GLU 5 HA GLU 5 5.731 -6.888 -3.917 34 HB2 GLU 5 HB2 GLU 5 6.035 -8.969 -5.849 35 HB3 GLU 5 HB3 GLU 5 5.187 -7.623 -6.597 36 HG2 GLU 5 HG2 GLU 5 7.070 -6.187 -5.539 37 HG3 GLU 5 HG3 GLU 5 7.934 -7.720 -5.439 38 H SER 6 H SER 6 3.415 -8.432 -6.054 39 HA SER 6 HA SER 6 1.728 -6.146 -6.143 40 HB2 SER 6 HB2 SER 6 0.118 -7.933 -7.216 41 HB3 SER 6 HB3 SER 6 1.562 -7.408 -8.081 42 HG SER 6 HG SER 6 2.281 -9.370 -7.969 43 H ILE 7 H ILE 7 -0.503 -6.027 -5.447 44 HA ILE 7 HA ILE 7 -0.976 -7.600 -3.002 45 HB ILE 7 HB ILE 7 -2.363 -4.993 -3.393 46 HG12 ILE 7 HG12 ILE 7 0.486 -5.211 -2.389 47 HG13 ILE 7 HG13 ILE 7 0.016 -4.524 -3.941 48 HG21 ILE 7 HG21 ILE 7 -2.969 -6.316 -1.495 49 HG22 ILE 7 HG22 ILE 7 -2.057 -4.918 -0.926 50 HG23 ILE 7 HG23 ILE 7 -1.280 -6.498 -1.021 51 HD11 ILE 7 HD11 ILE 7 0.081 -2.591 -2.819 52 HD12 ILE 7 HD12 ILE 7 -0.105 -3.375 -1.250 53 HD13 ILE 7 HD13 ILE 7 -1.520 -3.072 -2.258 54 H ARG 8 H ARG 8 -1.912 -9.130 -4.660 55 HA ARG 8 HA ARG 8 -4.571 -8.337 -5.590 56 HB2 ARG 8 HB2 ARG 8 -2.694 -9.672 -6.927 57 HB3 ARG 8 HB3 ARG 8 -3.461 -11.045 -6.141 58 HG2 ARG 8 HG2 ARG 8 -5.547 -10.579 -7.170 59 HG3 ARG 8 HG3 ARG 8 -4.981 -9.012 -7.752 60 HD2 ARG 8 HD2 ARG 8 -4.913 -10.455 -9.616 61 HD3 ARG 8 HD3 ARG 8 -3.242 -10.281 -9.080 62 HE ARG 8 HE ARG 8 -4.055 -12.507 -7.792 63 HH11 ARG 8 HH11 ARG 8 -4.205 -11.522 -11.137 64 HH12 ARG 8 HH12 ARG 8 -4.101 -13.139 -11.748 65 HH21 ARG 8 HH21 ARG 8 -3.917 -14.634 -8.594 66 HH22 ARG 8 HH22 ARG 8 -3.937 -14.906 -10.304 67 H PHE 9 H PHE 9 -6.031 -8.506 -3.997 68 HA PHE 9 HA PHE 9 -6.277 -11.116 -2.669 69 HB2 PHE 9 HB2 PHE 9 -7.008 -9.905 -0.598 70 HB3 PHE 9 HB3 PHE 9 -5.311 -9.677 -1.007 71 HD1 PHE 9 HD1 PHE 9 -4.844 -7.556 -2.525 72 HD2 PHE 9 HD2 PHE 9 -8.234 -8.063 -0.004 73 HE1 PHE 9 HE1 PHE 9 -5.152 -5.117 -2.457 74 HE2 PHE 9 HE2 PHE 9 -8.550 -5.624 0.067 75 HZ PHE 9 HZ PHE 9 -7.007 -4.147 -1.161 76 H GLY 10 H GLY 10 -7.832 -11.392 -4.454 77 HA2 GLY 10 HA2 GLY 10 -10.226 -11.825 -4.423 78 HA3 GLY 10 HA3 GLY 10 -10.443 -10.232 -3.713 79 HA PRO 11 HA PRO 11 -11.500 -10.012 -8.272 80 HB2 PRO 11 HB2 PRO 11 -13.141 -7.829 -7.082 81 HB3 PRO 11 HB3 PRO 11 -13.578 -9.025 -8.307 82 HG2 PRO 11 HG2 PRO 11 -14.458 -9.262 -5.806 83 HG3 PRO 11 HG3 PRO 11 -13.965 -10.688 -6.737 84 HD2 PRO 11 HD2 PRO 11 -12.523 -9.259 -4.548 85 HD3 PRO 11 HD3 PRO 11 -12.581 -10.995 -4.919 86 H ASN 12 H ASN 12 -10.460 -7.726 -5.844 87 HA ASN 12 HA ASN 12 -9.671 -5.766 -7.851 88 HB2 ASN 12 HB2 ASN 12 -10.004 -5.773 -4.905 89 HB3 ASN 12 HB3 ASN 12 -8.743 -4.722 -5.543 90 HD21 ASN 12 HD21 ASN 12 -12.046 -5.109 -4.980 91 HD22 ASN 12 HD22 ASN 12 -12.604 -3.696 -5.802 92 H VAL 13 H VAL 13 -7.649 -5.463 -8.559 93 HA VAL 13 HA VAL 13 -5.492 -7.018 -7.282 94 HB VAL 13 HB VAL 13 -5.621 -6.261 -10.202 95 HG11 VAL 13 HG11 VAL 13 -3.958 -8.368 -10.054 96 HG12 VAL 13 HG12 VAL 13 -3.672 -7.643 -8.472 97 HG13 VAL 13 HG13 VAL 13 -3.420 -6.692 -9.936 98 HG21 VAL 13 HG21 VAL 13 -7.320 -7.792 -10.157 99 HG22 VAL 13 HG22 VAL 13 -6.675 -8.633 -8.747 100 HG23 VAL 13 HG23 VAL 13 -5.941 -8.877 -10.332 101 H PHE 14 H PHE 14 -3.689 -5.935 -6.688 102 HA PHE 14 HA PHE 14 -3.527 -3.093 -7.447 103 HB2 PHE 14 HB2 PHE 14 -3.810 -3.992 -4.942 104 HB3 PHE 14 HB3 PHE 14 -2.056 -4.095 -5.067 105 HD1 PHE 14 HD1 PHE 14 -0.731 -2.056 -5.518 106 HD2 PHE 14 HD2 PHE 14 -4.912 -1.908 -4.744 107 HE1 PHE 14 HE1 PHE 14 -0.552 0.350 -5.037 108 HE2 PHE 14 HE2 PHE 14 -4.742 0.499 -4.263 109 HZ PHE 14 HZ PHE 14 -2.559 1.631 -4.409 110 H TYR 15 H TYR 15 -1.975 -2.667 -8.852 111 HA TYR 15 HA TYR 15 0.218 -4.491 -9.267 112 HB2 TYR 15 HB2 TYR 15 -0.573 -1.878 -10.550 113 HB3 TYR 15 HB3 TYR 15 0.913 -2.723 -10.971 114 HD1 TYR 15 HD1 TYR 15 0.840 -4.836 -12.187 115 HD2 TYR 15 HD2 TYR 15 -2.734 -2.742 -11.219 116 HE1 TYR 15 HE1 TYR 15 -0.399 -6.217 -13.801 117 HE2 TYR 15 HE2 TYR 15 -3.983 -4.118 -12.829 118 HH TYR 15 HH TYR 15 -2.462 -6.092 -15.131 119 H VAL 16 H VAL 16 1.812 -4.491 -7.819 120 HA VAL 16 HA VAL 16 2.501 -2.292 -6.190 121 HB VAL 16 HB VAL 16 2.904 -4.659 -5.598 122 HG11 VAL 16 HG11 VAL 16 4.329 -4.664 -8.058 123 HG12 VAL 16 HG12 VAL 16 3.982 -6.013 -6.977 124 HG13 VAL 16 HG13 VAL 16 5.452 -5.064 -6.759 125 HG21 VAL 16 HG21 VAL 16 5.586 -3.901 -5.189 126 HG22 VAL 16 HG22 VAL 16 4.229 -3.748 -4.074 127 HG23 VAL 16 HG23 VAL 16 4.626 -2.422 -5.166 128 H LEU 17 H LEU 17 3.198 -2.883 -9.436 129 HA LEU 17 HA LEU 17 5.516 -1.069 -9.327 130 HB2 LEU 17 HB2 LEU 17 4.984 -3.517 -10.898 131 HB3 LEU 17 HB3 LEU 17 5.758 -2.204 -11.763 132 HG LEU 17 HG LEU 17 7.697 -2.322 -10.491 133 HD11 LEU 17 HD11 LEU 17 7.785 -3.669 -8.343 134 HD12 LEU 17 HD12 LEU 17 6.022 -3.674 -8.393 135 HD13 LEU 17 HD13 LEU 17 6.897 -2.146 -8.284 136 HD21 LEU 17 HD21 LEU 17 7.351 -4.334 -11.889 137 HD22 LEU 17 HD22 LEU 17 6.701 -5.166 -10.476 138 HD23 LEU 17 HD23 LEU 17 8.381 -4.629 -10.487 139 H LYS 18 H LYS 18 2.298 -1.338 -10.261 140 HA LYS 18 HA LYS 18 2.609 0.717 -12.342 141 HB2 LYS 18 HB2 LYS 18 1.294 -1.624 -12.562 142 HB3 LYS 18 HB3 LYS 18 -0.011 -0.609 -11.967 143 HG2 LYS 18 HG2 LYS 18 0.052 0.779 -13.834 144 HG3 LYS 18 HG3 LYS 18 1.667 0.235 -14.296 145 HD2 LYS 18 HD2 LYS 18 0.853 -1.865 -15.021 146 HD3 LYS 18 HD3 LYS 18 -0.717 -1.598 -14.262 147 HE2 LYS 18 HE2 LYS 18 -1.367 -0.979 -16.320 148 HE3 LYS 18 HE3 LYS 18 -0.558 0.540 -15.936 149 HZ1 LYS 18 HZ1 LYS 18 1.464 -0.367 -16.971 150 HZ2 LYS 18 HZ2 LYS 18 0.177 -0.249 -18.063 151 HZ3 LYS 18 HZ3 LYS 18 0.604 -1.754 -17.420 152 H LEU 19 H LEU 19 0.907 -0.104 -9.363 153 HA LEU 19 HA LEU 19 -0.011 1.238 -7.764 154 HB2 LEU 19 HB2 LEU 19 0.534 3.668 -9.437 155 HB3 LEU 19 HB3 LEU 19 0.423 3.540 -7.692 156 HG LEU 19 HG LEU 19 2.592 1.910 -8.691 157 HD11 LEU 19 HD11 LEU 19 2.282 4.580 -9.858 158 HD12 LEU 19 HD12 LEU 19 3.267 3.215 -10.383 159 HD13 LEU 19 HD13 LEU 19 3.848 4.282 -9.105 160 HD21 LEU 19 HD21 LEU 19 2.059 3.940 -6.625 161 HD22 LEU 19 HD22 LEU 19 3.733 3.807 -7.163 162 HD23 LEU 19 HD23 LEU 19 2.900 2.396 -6.511 163 H THR 20 H THR 20 -1.618 0.008 -9.579 164 HA THR 20 HA THR 20 -3.858 1.881 -9.728 165 HB THR 20 HB THR 20 -3.532 0.018 -12.026 166 HG1 THR 20 HG1 THR 20 -1.999 2.355 -11.627 167 HG21 THR 20 HG21 THR 20 -4.264 2.875 -12.301 168 HG22 THR 20 HG22 THR 20 -5.424 1.786 -11.540 169 HG23 THR 20 HG23 THR 20 -4.851 1.461 -13.176 170 H VAL 21 H VAL 21 -5.808 0.982 -9.254 171 HA VAL 21 HA VAL 21 -5.769 -1.843 -8.466 172 HB VAL 21 HB VAL 21 -7.852 0.230 -7.776 173 HG11 VAL 21 HG11 VAL 21 -7.360 -2.109 -6.052 174 HG12 VAL 21 HG12 VAL 21 -8.076 -2.452 -7.627 175 HG13 VAL 21 HG13 VAL 21 -8.876 -1.338 -6.518 176 HG21 VAL 21 HG21 VAL 21 -6.490 -0.224 -5.467 177 HG22 VAL 21 HG22 VAL 21 -6.216 1.149 -6.538 178 HG23 VAL 21 HG23 VAL 21 -5.188 -0.278 -6.655 179 H GLU 22 H GLU 22 -6.490 -3.196 -9.969 180 HA GLU 22 HA GLU 22 -8.282 -2.373 -12.053 181 HB2 GLU 22 HB2 GLU 22 -6.484 -4.525 -11.602 182 HB3 GLU 22 HB3 GLU 22 -8.069 -5.224 -11.899 183 HG2 GLU 22 HG2 GLU 22 -8.006 -3.431 -13.883 184 HG3 GLU 22 HG3 GLU 22 -6.278 -3.737 -13.709 185 H THR 23 H THR 23 -10.372 -2.065 -11.654 186 HA THR 23 HA THR 23 -11.722 -3.763 -9.684 187 HB THR 23 HB THR 23 -13.600 -1.947 -10.325 188 HG1 THR 23 HG1 THR 23 -12.051 -0.975 -11.827 189 HG21 THR 23 HG21 THR 23 -11.565 -0.777 -8.568 190 HG22 THR 23 HG22 THR 23 -12.113 -2.394 -8.125 191 HG23 THR 23 HG23 THR 23 -13.279 -1.081 -8.287 192 HA PRO 24 HA PRO 24 -14.223 -6.162 -12.385 193 HB2 PRO 24 HB2 PRO 24 -16.618 -4.690 -11.381 194 HB3 PRO 24 HB3 PRO 24 -16.338 -6.430 -11.500 195 HG2 PRO 24 HG2 PRO 24 -16.188 -5.203 -9.155 196 HG3 PRO 24 HG3 PRO 24 -15.033 -6.480 -9.583 197 HD2 PRO 24 HD2 PRO 24 -14.647 -3.525 -9.502 198 HD3 PRO 24 HD3 PRO 24 -13.512 -4.830 -9.117 199 H GLU 25 H GLU 25 -15.177 -2.746 -12.241 200 HA GLU 25 HA GLU 25 -16.387 -2.733 -14.826 201 HB2 GLU 25 HB2 GLU 25 -15.861 -0.803 -12.686 202 HB3 GLU 25 HB3 GLU 25 -15.746 -0.105 -14.296 203 HG2 GLU 25 HG2 GLU 25 -17.958 -0.376 -14.728 204 HG3 GLU 25 HG3 GLU 25 -18.098 -1.807 -13.707 205 H GLY 26 H GLY 26 -13.299 -1.461 -13.577 206 HA2 GLY 26 HA2 GLY 26 -11.952 -2.103 -16.029 207 HA3 GLY 26 HA3 GLY 26 -12.231 -0.377 -15.852 208 H SER 27 H SER 27 -10.994 0.799 -14.452 209 HA SER 27 HA SER 27 -9.221 -0.555 -12.593 210 HB2 SER 27 HB2 SER 27 -7.931 -0.574 -14.685 211 HB3 SER 27 HB3 SER 27 -8.136 1.171 -14.832 212 HG SER 27 HG SER 27 -6.824 -0.160 -12.695 213 H VAL 28 H VAL 28 -7.858 1.125 -11.384 214 HA VAL 28 HA VAL 28 -9.187 3.727 -11.220 215 HB VAL 28 HB VAL 28 -8.683 2.049 -8.763 216 HG11 VAL 28 HG11 VAL 28 -10.274 4.589 -9.079 217 HG12 VAL 28 HG12 VAL 28 -8.600 4.530 -8.524 218 HG13 VAL 28 HG13 VAL 28 -9.871 3.756 -7.577 219 HG21 VAL 28 HG21 VAL 28 -11.333 2.645 -10.073 220 HG22 VAL 28 HG22 VAL 28 -11.056 1.673 -8.627 221 HG23 VAL 28 HG23 VAL 28 -10.480 1.106 -10.195 222 H HIS 29 H HIS 29 -7.501 4.997 -11.729 223 HA HIS 29 HA HIS 29 -4.816 4.431 -10.914 224 HB2 HIS 29 HB2 HIS 29 -6.042 6.908 -12.145 225 HB3 HIS 29 HB3 HIS 29 -4.316 6.663 -11.902 226 HD1 HIS 29 HD1 HIS 29 -3.616 6.573 -14.324 227 HD2 HIS 29 HD2 HIS 29 -6.672 3.905 -13.426 228 HE1 HIS 29 HE1 HIS 29 -3.861 5.121 -16.362 229 HE2 HIS 29 HE2 HIS 29 -5.768 3.565 -15.825 230 H LEU 30 H LEU 30 -3.494 5.816 -9.566 231 HA LEU 30 HA LEU 30 -4.822 7.657 -7.783 232 HB2 LEU 30 HB2 LEU 30 -4.904 6.429 -5.902 233 HB3 LEU 30 HB3 LEU 30 -4.936 5.081 -7.015 234 HG LEU 30 HG LEU 30 -2.633 6.068 -5.351 235 HD11 LEU 30 HD11 LEU 30 -3.100 3.225 -5.471 236 HD12 LEU 30 HD12 LEU 30 -4.563 4.092 -4.997 237 HD13 LEU 30 HD13 LEU 30 -3.074 4.306 -4.077 238 HD21 LEU 30 HD21 LEU 30 -1.149 5.410 -6.858 239 HD22 LEU 30 HD22 LEU 30 -2.444 5.010 -7.988 240 HD23 LEU 30 HD23 LEU 30 -1.858 3.796 -6.851 241 H THR 31 H THR 31 -3.184 8.503 -6.100 242 HA THR 31 HA THR 31 -0.897 9.405 -7.527 243 HB THR 31 HB THR 31 -1.033 9.650 -4.556 244 HG1 THR 31 HG1 THR 31 -2.876 10.777 -6.371 245 HG21 THR 31 HG21 THR 31 0.694 10.803 -5.985 246 HG22 THR 31 HG22 THR 31 -0.229 11.830 -4.887 247 HG23 THR 31 HG23 THR 31 -0.623 11.798 -6.606 248 HA PRO 32 HA PRO 32 1.582 5.794 -6.640 249 HB2 PRO 32 HB2 PRO 32 3.943 6.811 -7.599 250 HB3 PRO 32 HB3 PRO 32 2.691 6.090 -8.615 251 HG2 PRO 32 HG2 PRO 32 3.239 8.975 -8.044 252 HG3 PRO 32 HG3 PRO 32 2.815 8.197 -9.581 253 HD2 PRO 32 HD2 PRO 32 0.997 9.544 -8.131 254 HD3 PRO 32 HD3 PRO 32 0.563 8.086 -9.048 255 H SER 33 H SER 33 2.359 9.036 -5.640 256 HA SER 33 HA SER 33 4.416 8.249 -3.820 257 HB2 SER 33 HB2 SER 33 3.925 10.637 -2.878 258 HB3 SER 33 HB3 SER 33 4.644 10.481 -4.480 259 HG SER 33 HG SER 33 2.996 11.609 -5.114 260 H GLU 34 H GLU 34 0.984 8.666 -3.678 261 HA GLU 34 HA GLU 34 0.898 8.382 -0.803 262 HB2 GLU 34 HB2 GLU 34 -1.239 8.582 -2.919 263 HB3 GLU 34 HB3 GLU 34 -1.618 8.255 -1.235 264 HG2 GLU 34 HG2 GLU 34 -0.972 10.364 -0.542 265 HG3 GLU 34 HG3 GLU 34 0.020 10.639 -1.973 266 H SER 35 H SER 35 0.041 6.525 -3.652 267 HA SER 35 HA SER 35 -0.743 4.215 -2.202 268 HB2 SER 35 HB2 SER 35 -1.302 3.396 -4.227 269 HB3 SER 35 HB3 SER 35 -0.904 5.000 -4.837 270 HG SER 35 HG SER 35 0.754 2.703 -4.771 271 H GLY 36 H GLY 36 2.267 5.658 -2.922 272 HA2 GLY 36 HA2 GLY 36 3.901 3.343 -2.956 273 HA3 GLY 36 HA3 GLY 36 4.437 4.977 -2.604 274 H ILE 37 H ILE 37 2.540 5.309 -0.417 275 HA ILE 37 HA ILE 37 4.155 4.261 1.685 276 HB ILE 37 HB ILE 37 1.433 5.559 1.823 277 HG12 ILE 37 HG12 ILE 37 3.299 7.302 2.879 278 HG13 ILE 37 HG13 ILE 37 4.153 6.586 1.515 279 HG21 ILE 37 HG21 ILE 37 2.533 6.041 4.232 280 HG22 ILE 37 HG22 ILE 37 3.208 4.447 3.894 281 HG23 ILE 37 HG23 ILE 37 1.460 4.681 3.900 282 HD11 ILE 37 HD11 ILE 37 2.131 7.165 0.124 283 HD12 ILE 37 HD12 ILE 37 3.114 8.515 0.690 284 HD13 ILE 37 HD13 ILE 37 1.590 8.135 1.493 285 H LEU 38 H LEU 38 1.120 3.360 0.238 286 HA LEU 38 HA LEU 38 0.443 1.365 2.159 287 HB2 LEU 38 HB2 LEU 38 -1.383 2.177 0.953 288 HB3 LEU 38 HB3 LEU 38 -0.538 2.081 -0.579 289 HG LEU 38 HG LEU 38 -0.954 -0.524 0.708 290 HD11 LEU 38 HD11 LEU 38 -3.046 0.986 1.184 291 HD12 LEU 38 HD12 LEU 38 -3.233 -0.679 0.632 292 HD13 LEU 38 HD13 LEU 38 -3.397 0.654 -0.512 293 HD21 LEU 38 HD21 LEU 38 -1.666 0.498 -2.035 294 HD22 LEU 38 HD22 LEU 38 -1.513 -1.185 -1.528 295 HD23 LEU 38 HD23 LEU 38 -0.087 -0.149 -1.590 296 H LYS 39 H LYS 39 2.522 1.505 -0.571 297 HA LYS 39 HA LYS 39 2.617 -1.302 -1.079 298 HB2 LYS 39 HB2 LYS 39 3.510 0.998 -2.382 299 HB3 LYS 39 HB3 LYS 39 4.980 0.142 -1.936 300 HG2 LYS 39 HG2 LYS 39 4.663 -1.428 -3.481 301 HG3 LYS 39 HG3 LYS 39 2.955 -1.608 -3.077 302 HD2 LYS 39 HD2 LYS 39 3.602 0.907 -4.429 303 HD3 LYS 39 HD3 LYS 39 3.928 -0.531 -5.397 304 HE2 LYS 39 HE2 LYS 39 1.572 -1.282 -4.691 305 HE3 LYS 39 HE3 LYS 39 1.331 0.400 -4.220 306 HZ1 LYS 39 HZ1 LYS 39 2.383 -0.146 -6.897 307 HZ2 LYS 39 HZ2 LYS 39 1.376 1.106 -6.368 308 HZ3 LYS 39 HZ3 LYS 39 0.741 -0.441 -6.616 309 H ARG 40 H ARG 40 4.437 0.954 0.865 310 HA ARG 40 HA ARG 40 6.468 -0.968 1.550 311 HB2 ARG 40 HB2 ARG 40 5.851 1.611 2.993 312 HB3 ARG 40 HB3 ARG 40 7.367 0.722 2.993 313 HG2 ARG 40 HG2 ARG 40 6.407 1.597 0.352 314 HG3 ARG 40 HG3 ARG 40 6.886 2.880 1.464 315 HD2 ARG 40 HD2 ARG 40 8.758 2.160 0.066 316 HD3 ARG 40 HD3 ARG 40 9.058 1.826 1.771 317 HE ARG 40 HE ARG 40 9.175 -0.391 1.256 318 HH11 ARG 40 HH11 ARG 40 7.457 1.237 -1.309 319 HH12 ARG 40 HH12 ARG 40 7.359 -0.174 -2.308 320 HH21 ARG 40 HH21 ARG 40 9.047 -2.247 -0.056 321 HH22 ARG 40 HH22 ARG 40 8.261 -2.152 -1.597 322 H LEU 41 H LEU 41 3.355 -0.120 2.711 323 HA LEU 41 HA LEU 41 3.734 -1.291 5.322 324 HB2 LEU 41 HB2 LEU 41 1.644 0.219 3.933 325 HB3 LEU 41 HB3 LEU 41 1.014 -1.058 4.956 326 HG LEU 41 HG LEU 41 2.501 -0.054 6.801 327 HD11 LEU 41 HD11 LEU 41 3.007 2.305 6.579 328 HD12 LEU 41 HD12 LEU 41 2.378 2.306 4.931 329 HD13 LEU 41 HD13 LEU 41 3.829 1.382 5.321 330 HD21 LEU 41 HD21 LEU 41 0.156 0.102 7.008 331 HD22 LEU 41 HD22 LEU 41 0.042 1.277 5.697 332 HD23 LEU 41 HD23 LEU 41 0.767 1.740 7.237 333 H LEU 42 H LEU 42 2.852 -2.331 2.178 334 HA LEU 42 HA LEU 42 1.427 -4.680 3.030 335 HB2 LEU 42 HB2 LEU 42 1.327 -3.322 0.760 336 HB3 LEU 42 HB3 LEU 42 2.603 -4.432 0.302 337 HG LEU 42 HG LEU 42 0.322 -5.136 -0.415 338 HD11 LEU 42 HD11 LEU 42 0.742 -7.378 -0.106 339 HD12 LEU 42 HD12 LEU 42 1.338 -7.150 1.538 340 HD13 LEU 42 HD13 LEU 42 2.334 -6.669 0.165 341 HD21 LEU 42 HD21 LEU 42 -1.382 -5.103 1.001 342 HD22 LEU 42 HD22 LEU 42 -0.308 -4.547 2.284 343 HD23 LEU 42 HD23 LEU 42 -0.565 -6.273 2.036 344 H ILE 43 H ILE 43 4.713 -3.802 2.475 345 HA ILE 43 HA ILE 43 5.675 -6.479 2.069 346 HB ILE 43 HB ILE 43 7.441 -4.277 3.071 347 HG12 ILE 43 HG12 ILE 43 6.187 -3.131 1.379 348 HG13 ILE 43 HG13 ILE 43 7.736 -3.572 0.670 349 HG21 ILE 43 HG21 ILE 43 8.190 -6.026 0.819 350 HG22 ILE 43 HG22 ILE 43 7.961 -6.821 2.376 351 HG23 ILE 43 HG23 ILE 43 9.129 -5.508 2.220 352 HD11 ILE 43 HD11 ILE 43 5.231 -5.188 0.297 353 HD12 ILE 43 HD12 ILE 43 6.757 -5.334 -0.576 354 HD13 ILE 43 HD13 ILE 43 5.744 -3.907 -0.801 355 H ASN 44 H ASN 44 5.041 -4.416 4.800 356 HA ASN 44 HA ASN 44 6.427 -6.215 6.633 357 HB2 ASN 44 HB2 ASN 44 4.985 -3.596 7.075 358 HB3 ASN 44 HB3 ASN 44 5.726 -4.540 8.364 359 HD21 ASN 44 HD21 ASN 44 6.207 -2.240 5.931 360 HD22 ASN 44 HD22 ASN 44 7.923 -2.096 6.069 361 H LYS 45 H LYS 45 3.319 -5.715 5.344 362 HA LYS 45 HA LYS 45 1.203 -6.329 5.974 363 HB2 LYS 45 HB2 LYS 45 0.959 -8.698 6.001 364 HB3 LYS 45 HB3 LYS 45 2.301 -8.315 4.935 365 HG2 LYS 45 HG2 LYS 45 3.602 -8.710 7.281 366 HG3 LYS 45 HG3 LYS 45 2.253 -9.833 7.442 367 HD2 LYS 45 HD2 LYS 45 4.079 -10.998 6.423 368 HD3 LYS 45 HD3 LYS 45 2.837 -10.744 5.196 369 HE2 LYS 45 HE2 LYS 45 4.180 -9.460 3.944 370 HE3 LYS 45 HE3 LYS 45 4.786 -8.576 5.344 371 HZ1 LYS 45 HZ1 LYS 45 6.271 -10.242 3.903 372 HZ2 LYS 45 HZ2 LYS 45 5.709 -11.316 5.082 373 HZ3 LYS 45 HZ3 LYS 45 6.556 -9.927 5.541 374 H GLY 46 H GLY 46 1.159 -4.920 7.866 375 HA2 GLY 46 HA2 GLY 46 0.413 -4.588 10.014 376 HA3 GLY 46 HA3 GLY 46 0.237 -6.330 10.158 377 H GLN 47 H GLN 47 2.213 -3.587 10.822 378 HA GLN 47 HA GLN 47 3.758 -5.139 12.707 379 HB2 GLN 47 HB2 GLN 47 4.834 -4.869 10.203 380 HB3 GLN 47 HB3 GLN 47 5.528 -3.488 11.039 381 HG2 GLN 47 HG2 GLN 47 6.865 -4.761 12.306 382 HG3 GLN 47 HG3 GLN 47 5.640 -6.009 12.530 383 HE21 GLN 47 HE21 GLN 47 8.606 -5.704 11.517 384 HE22 GLN 47 HE22 GLN 47 8.647 -6.813 10.194 385 H LEU 48 H LEU 48 4.676 -3.907 14.341 386 HA LEU 48 HA LEU 48 3.470 -1.356 14.781 387 HB2 LEU 48 HB2 LEU 48 4.505 -3.323 16.391 388 HB3 LEU 48 HB3 LEU 48 5.727 -2.072 16.511 389 HG LEU 48 HG LEU 48 4.194 -1.781 18.319 390 HD11 LEU 48 HD11 LEU 48 3.995 0.449 18.128 391 HD12 LEU 48 HD12 LEU 48 3.111 0.347 16.605 392 HD13 LEU 48 HD13 LEU 48 4.868 0.203 16.615 393 HD21 LEU 48 HD21 LEU 48 2.083 -2.440 18.154 394 HD22 LEU 48 HD22 LEU 48 2.266 -2.661 16.414 395 HD23 LEU 48 HD23 LEU 48 1.756 -1.100 17.056 396 H CYS 49 H CYS 49 4.145 0.312 13.569 397 HA CYS 49 HA CYS 49 6.915 1.147 13.826 398 HB2 CYS 49 HB2 CYS 49 5.638 0.765 11.110 399 HB3 CYS 49 HB3 CYS 49 7.224 1.466 11.414 400 HG CYS 49 HG CYS 49 7.697 -0.957 10.814 401 H LEU 50 H LEU 50 6.152 2.903 14.989 402 HA LEU 50 HA LEU 50 4.037 4.557 14.438 403 HB2 LEU 50 HB2 LEU 50 5.454 6.393 15.530 404 HB3 LEU 50 HB3 LEU 50 5.058 4.974 16.473 405 HG LEU 50 HG LEU 50 7.449 5.962 16.584 406 HD11 LEU 50 HD11 LEU 50 8.004 4.055 17.584 407 HD12 LEU 50 HD12 LEU 50 7.780 3.107 16.114 408 HD13 LEU 50 HD13 LEU 50 6.393 3.499 17.130 409 HD21 LEU 50 HD21 LEU 50 7.987 6.139 14.283 410 HD22 LEU 50 HD22 LEU 50 7.559 4.455 13.982 411 HD23 LEU 50 HD23 LEU 50 8.982 4.844 14.947 412 H ARG 51 H ARG 51 4.348 6.990 13.819 413 HA ARG 51 HA ARG 51 4.656 7.141 11.095 414 HB2 ARG 51 HB2 ARG 51 4.771 9.613 11.397 415 HB3 ARG 51 HB3 ARG 51 3.438 8.840 12.243 416 HG2 ARG 51 HG2 ARG 51 4.713 8.940 14.332 417 HG3 ARG 51 HG3 ARG 51 6.036 9.735 13.476 418 HD2 ARG 51 HD2 ARG 51 4.999 11.722 13.476 419 HD3 ARG 51 HD3 ARG 51 3.437 11.010 13.076 420 HE ARG 51 HE ARG 51 3.774 10.321 15.666 421 HH11 ARG 51 HH11 ARG 51 3.976 13.364 13.968 422 HH12 ARG 51 HH12 ARG 51 3.467 14.301 15.332 423 HH21 ARG 51 HH21 ARG 51 3.102 11.553 17.461 424 HH22 ARG 51 HH22 ARG 51 2.971 13.274 17.315 425 H LYS 52 H LYS 52 7.024 8.075 13.531 426 HA LYS 52 HA LYS 52 8.991 9.044 11.838 427 HB2 LYS 52 HB2 LYS 52 8.842 8.917 14.470 428 HB3 LYS 52 HB3 LYS 52 9.813 7.470 14.233 429 HG2 LYS 52 HG2 LYS 52 11.653 8.634 13.651 430 HG3 LYS 52 HG3 LYS 52 10.731 9.885 12.815 431 HD2 LYS 52 HD2 LYS 52 11.262 11.168 14.579 432 HD3 LYS 52 HD3 LYS 52 9.980 10.281 15.408 433 HE2 LYS 52 HE2 LYS 52 12.631 8.991 15.382 434 HE3 LYS 52 HE3 LYS 52 12.512 10.478 16.320 435 HZ1 LYS 52 HZ1 LYS 52 10.712 8.136 16.628 436 HZ2 LYS 52 HZ2 LYS 52 10.709 9.536 17.577 437 HZ3 LYS 52 HZ3 LYS 52 12.029 8.480 17.633 438 H HIS 53 H HIS 53 8.001 5.825 12.363 439 HA HIS 53 HA HIS 53 10.385 4.718 11.128 440 HB2 HIS 53 HB2 HIS 53 9.131 3.657 13.070 441 HB3 HIS 53 HB3 HIS 53 7.871 3.273 11.907 442 HD1 HIS 53 HD1 HIS 53 10.435 2.742 9.774 443 HD2 HIS 53 HD2 HIS 53 9.388 0.773 13.280 444 HE1 HIS 53 HE1 HIS 53 11.491 0.466 9.607 445 HE2 HIS 53 HE2 HIS 53 10.918 -0.675 11.779 446 H LEU 54 H LEU 54 7.091 5.514 10.452 447 HA LEU 54 HA LEU 54 6.863 4.108 8.005 448 HB2 LEU 54 HB2 LEU 54 5.150 5.548 9.639 449 HB3 LEU 54 HB3 LEU 54 5.257 6.530 8.191 450 HG LEU 54 HG LEU 54 3.349 4.980 8.132 451 HD11 LEU 54 HD11 LEU 54 4.998 5.611 6.109 452 HD12 LEU 54 HD12 LEU 54 3.537 4.643 5.911 453 HD13 LEU 54 HD13 LEU 54 5.108 3.852 6.053 454 HD21 LEU 54 HD21 LEU 54 5.070 2.628 7.696 455 HD22 LEU 54 HD22 LEU 54 3.489 2.754 8.468 456 HD23 LEU 54 HD23 LEU 54 4.944 3.195 9.361 457 H LEU 55 H LEU 55 7.792 7.371 8.905 458 HA LEU 55 HA LEU 55 8.035 8.373 6.277 459 HB2 LEU 55 HB2 LEU 55 9.742 9.976 7.426 460 HB3 LEU 55 HB3 LEU 55 8.031 10.092 7.777 461 HG LEU 55 HG LEU 55 8.972 8.338 9.713 462 HD11 LEU 55 HD11 LEU 55 10.911 10.616 9.544 463 HD12 LEU 55 HD12 LEU 55 11.273 8.980 8.988 464 HD13 LEU 55 HD13 LEU 55 10.900 9.271 10.687 465 HD21 LEU 55 HD21 LEU 55 7.903 11.030 9.518 466 HD22 LEU 55 HD22 LEU 55 8.948 10.808 10.921 467 HD23 LEU 55 HD23 LEU 55 7.556 9.753 10.683 468 H GLU 56 H GLU 56 9.997 6.197 8.049 469 HA GLU 56 HA GLU 56 12.411 6.738 6.580 470 HB2 GLU 56 HB2 GLU 56 11.592 4.597 8.527 471 HB3 GLU 56 HB3 GLU 56 13.118 4.509 7.659 472 HG2 GLU 56 HG2 GLU 56 13.367 6.970 8.600 473 HG3 GLU 56 HG3 GLU 56 12.264 6.341 9.823 474 H GLU 57 H GLU 57 9.604 4.811 6.111 475 HA GLU 57 HA GLU 57 10.907 3.116 4.139 476 HB2 GLU 57 HB2 GLU 57 8.464 2.987 5.702 477 HB3 GLU 57 HB3 GLU 57 8.154 2.654 4.004 478 HG2 GLU 57 HG2 GLU 57 8.879 0.590 4.290 479 HG3 GLU 57 HG3 GLU 57 10.472 1.215 4.713 480 H ILE 58 H ILE 58 9.030 5.990 4.296 481 HA ILE 58 HA ILE 58 8.359 5.896 1.471 482 HB ILE 58 HB ILE 58 7.979 8.349 3.148 483 HG12 ILE 58 HG12 ILE 58 7.113 6.459 4.489 484 HG13 ILE 58 HG13 ILE 58 5.828 7.522 3.937 485 HG21 ILE 58 HG21 ILE 58 5.978 7.307 1.224 486 HG22 ILE 58 HG22 ILE 58 7.495 7.924 0.573 487 HG23 ILE 58 HG23 ILE 58 6.472 8.967 1.561 488 HD11 ILE 58 HD11 ILE 58 4.827 5.608 3.368 489 HD12 ILE 58 HD12 ILE 58 6.342 4.705 3.333 490 HD13 ILE 58 HD13 ILE 58 5.870 5.691 1.949 491 H LYS 59 H LYS 59 10.791 7.113 3.571 492 HA LYS 59 HA LYS 59 11.796 9.130 1.800 493 HB2 LYS 59 HB2 LYS 59 12.131 8.960 4.352 494 HB3 LYS 59 HB3 LYS 59 13.382 7.782 3.977 495 HG2 LYS 59 HG2 LYS 59 14.720 9.580 3.982 496 HG3 LYS 59 HG3 LYS 59 14.109 9.801 2.341 497 HD2 LYS 59 HD2 LYS 59 12.289 11.231 3.319 498 HD3 LYS 59 HD3 LYS 59 13.142 11.141 4.861 499 HE2 LYS 59 HE2 LYS 59 14.302 12.205 2.288 500 HE3 LYS 59 HE3 LYS 59 13.665 13.195 3.600 501 HZ1 LYS 59 HZ1 LYS 59 15.353 12.059 5.053 502 HZ2 LYS 59 HZ2 LYS 59 15.983 13.114 3.891 503 HZ3 LYS 59 HZ3 LYS 59 16.052 11.443 3.640 504 H ASN 60 H ASN 60 12.294 5.711 2.302 505 HA ASN 60 HA ASN 60 14.556 5.669 0.487 506 HB2 ASN 60 HB2 ASN 60 14.563 4.303 2.590 507 HB3 ASN 60 HB3 ASN 60 13.249 3.347 1.909 508 HD21 ASN 60 HD21 ASN 60 14.478 1.472 1.953 509 HD22 ASN 60 HD22 ASN 60 15.766 1.189 0.837 510 H HIS 61 H HIS 61 12.196 6.521 -0.687 511 HA HIS 61 HA HIS 61 11.990 4.782 -2.898 512 HB2 HIS 61 HB2 HIS 61 10.552 3.670 -1.034 513 HB3 HIS 61 HB3 HIS 61 9.404 4.958 -1.379 514 HD1 HIS 61 HD1 HIS 61 11.417 2.674 -3.675 515 HD2 HIS 61 HD2 HIS 61 7.509 3.901 -2.980 516 HE1 HIS 61 HE1 HIS 61 10.031 1.536 -5.438 517 HE2 HIS 61 HE2 HIS 61 7.681 2.352 -5.044 518 H ALA 62 H ALA 62 10.406 7.316 -1.011 519 HA ALA 62 HA ALA 62 10.583 9.256 -3.025 520 HB1 ALA 62 HB1 ALA 62 8.058 7.670 -2.981 521 HB2 ALA 62 HB2 ALA 62 8.955 8.323 -4.352 522 HB3 ALA 62 HB3 ALA 62 7.985 9.395 -3.341 523 H LYS 63 H LYS 63 11.179 10.617 -1.385 524 HA LYS 63 HA LYS 63 9.761 10.881 1.059 525 HB2 LYS 63 HB2 LYS 63 11.149 12.913 1.377 526 HB3 LYS 63 HB3 LYS 63 12.093 11.494 0.941 527 HG2 LYS 63 HG2 LYS 63 12.968 12.574 -0.777 528 HG3 LYS 63 HG3 LYS 63 11.360 12.855 -1.448 529 HD2 LYS 63 HD2 LYS 63 11.133 14.869 -0.092 530 HD3 LYS 63 HD3 LYS 63 12.720 14.579 0.625 531 HE2 LYS 63 HE2 LYS 63 12.612 14.662 -2.325 532 HE3 LYS 63 HE3 LYS 63 12.310 16.187 -1.493 533 HZ1 LYS 63 HZ1 LYS 63 14.615 16.079 -1.875 534 HZ2 LYS 63 HZ2 LYS 63 14.725 14.480 -1.334 535 HZ3 LYS 63 HZ3 LYS 63 14.418 15.725 -0.232 536 H ALA 64 H ALA 64 7.634 11.002 -0.233 537 HA ALA 64 HA ALA 64 5.824 12.172 -0.989 538 HB1 ALA 64 HB1 ALA 64 5.626 12.868 1.239 539 HB2 ALA 64 HB2 ALA 64 5.475 14.350 0.294 540 HB3 ALA 64 HB3 ALA 64 6.994 13.973 1.108 541 H ILE 65 H ILE 65 6.256 12.545 -3.147 542 HA ILE 65 HA ILE 65 7.693 14.995 -3.854 543 HB ILE 65 HB ILE 65 6.651 12.886 -5.743 544 HG12 ILE 65 HG12 ILE 65 9.537 12.940 -5.281 545 HG13 ILE 65 HG13 ILE 65 8.627 12.498 -3.840 546 HG21 ILE 65 HG21 ILE 65 7.113 14.630 -7.120 547 HG22 ILE 65 HG22 ILE 65 8.738 13.956 -7.003 548 HG23 ILE 65 HG23 ILE 65 8.284 15.341 -6.011 549 HD11 ILE 65 HD11 ILE 65 8.782 11.099 -6.474 550 HD12 ILE 65 HD12 ILE 65 7.420 10.833 -5.386 551 HD13 ILE 65 HD13 ILE 65 9.061 10.466 -4.852 552 H VAL 66 H VAL 66 5.122 15.156 -2.651 553 HA VAL 66 HA VAL 66 3.889 17.045 -4.309 554 HB VAL 66 HB VAL 66 3.244 14.959 -5.542 555 HG11 VAL 66 HG11 VAL 66 2.007 13.287 -4.640 556 HG12 VAL 66 HG12 VAL 66 1.174 14.360 -3.515 557 HG13 VAL 66 HG13 VAL 66 2.817 13.823 -3.168 558 HG21 VAL 66 HG21 VAL 66 1.853 17.237 -5.144 559 HG22 VAL 66 HG22 VAL 66 0.672 16.042 -4.607 560 HG23 VAL 66 HG23 VAL 66 1.341 15.950 -6.236 561 H ALA 67 H ALA 67 4.715 16.825 -1.623 562 HA ALA 67 HA ALA 67 2.440 17.888 -0.298 563 HB1 ALA 67 HB1 ALA 67 1.656 16.195 0.941 564 HB2 ALA 67 HB2 ALA 67 3.268 15.559 1.266 565 HB3 ALA 67 HB3 ALA 67 2.450 15.158 -0.243 566 H ARG 68 H ARG 68 3.173 17.498 2.353 567 HA ARG 68 HA ARG 68 5.861 18.699 2.416 568 HB2 ARG 68 HB2 ARG 68 3.328 19.591 3.523 569 HB3 ARG 68 HB3 ARG 68 4.576 19.484 4.757 570 HG2 ARG 68 HG2 ARG 68 5.902 21.085 3.742 571 HG3 ARG 68 HG3 ARG 68 5.132 20.869 2.168 572 HD2 ARG 68 HD2 ARG 68 3.482 22.319 2.641 573 HD3 ARG 68 HD3 ARG 68 3.317 21.742 4.298 574 HE ARG 68 HE ARG 68 5.637 23.112 4.373 575 HH11 ARG 68 HH11 ARG 68 2.450 23.923 3.206 576 HH12 ARG 68 HH12 ARG 68 2.618 25.612 3.547 577 HH21 ARG 68 HH21 ARG 68 5.860 25.334 4.823 578 HH22 ARG 68 HH22 ARG 68 4.554 26.413 4.465 579 H ASN 69 H ASN 69 3.876 16.164 3.576 580 HA ASN 69 HA ASN 69 6.083 15.031 5.028 581 HB2 ASN 69 HB2 ASN 69 4.825 14.786 7.165 582 HB3 ASN 69 HB3 ASN 69 5.228 16.457 6.782 583 HD21 ASN 69 HD21 ASN 69 3.657 17.894 6.863 584 HD22 ASN 69 HD22 ASN 69 1.965 17.544 6.881 585 H VAL 70 H VAL 70 5.047 12.997 6.338 586 HA VAL 70 HA VAL 70 3.750 11.450 4.244 587 HB VAL 70 HB VAL 70 4.081 9.594 6.130 588 HG11 VAL 70 HG11 VAL 70 6.346 9.168 5.124 589 HG12 VAL 70 HG12 VAL 70 6.153 10.685 4.245 590 HG13 VAL 70 HG13 VAL 70 5.023 9.358 3.974 591 HG21 VAL 70 HG21 VAL 70 5.830 9.934 7.607 592 HG22 VAL 70 HG22 VAL 70 5.006 11.493 7.640 593 HG23 VAL 70 HG23 VAL 70 6.478 11.294 6.689 594 H ASP 71 H ASP 71 3.029 12.820 7.335 595 HA ASP 71 HA ASP 71 0.849 11.270 8.102 596 HB2 ASP 71 HB2 ASP 71 1.941 13.873 8.801 597 HB3 ASP 71 HB3 ASP 71 0.183 13.847 8.896 598 H VAL 72 H VAL 72 0.736 14.387 6.460 599 HA VAL 72 HA VAL 72 -1.991 14.252 5.784 600 HB VAL 72 HB VAL 72 0.137 15.764 4.265 601 HG11 VAL 72 HG11 VAL 72 -2.810 16.304 4.618 602 HG12 VAL 72 HG12 VAL 72 -2.059 15.630 3.172 603 HG13 VAL 72 HG13 VAL 72 -1.674 17.274 3.681 604 HG21 VAL 72 HG21 VAL 72 -1.346 16.496 6.783 605 HG22 VAL 72 HG22 VAL 72 -0.488 17.664 5.778 606 HG23 VAL 72 HG23 VAL 72 0.397 16.354 6.560 607 H HIS 73 H HIS 73 0.771 12.721 4.469 608 HA HIS 73 HA HIS 73 -0.311 12.256 1.853 609 HB2 HIS 73 HB2 HIS 73 2.216 11.995 3.094 610 HB3 HIS 73 HB3 HIS 73 1.761 10.387 2.542 611 HD1 HIS 73 HD1 HIS 73 1.068 10.286 -0.095 612 HD2 HIS 73 HD2 HIS 73 3.263 13.582 1.161 613 HE1 HIS 73 HE1 HIS 73 2.038 11.286 -2.190 614 HE2 HIS 73 HE2 HIS 73 3.453 13.211 -1.391 615 H ILE 74 H ILE 74 -0.315 10.647 4.926 616 HA ILE 74 HA ILE 74 -1.182 8.110 3.922 617 HB ILE 74 HB ILE 74 -1.296 9.225 6.727 618 HG12 ILE 74 HG12 ILE 74 0.585 7.060 6.005 619 HG13 ILE 74 HG13 ILE 74 0.936 8.637 5.305 620 HG21 ILE 74 HG21 ILE 74 -1.207 6.384 6.678 621 HG22 ILE 74 HG22 ILE 74 -2.534 6.916 5.646 622 HG23 ILE 74 HG23 ILE 74 -2.463 7.438 7.328 623 HD11 ILE 74 HD11 ILE 74 0.474 9.326 7.872 624 HD12 ILE 74 HD12 ILE 74 2.065 8.940 7.215 625 HD13 ILE 74 HD13 ILE 74 1.144 7.708 8.078 626 H ALA 75 H ALA 75 -2.722 10.995 5.110 627 HA ALA 75 HA ALA 75 -5.334 9.884 5.308 628 HB1 ALA 75 HB1 ALA 75 -4.228 12.139 6.271 629 HB2 ALA 75 HB2 ALA 75 -5.968 11.899 6.114 630 HB3 ALA 75 HB3 ALA 75 -5.085 12.788 4.874 631 H SER 76 H SER 76 -3.448 11.320 2.791 632 HA SER 76 HA SER 76 -5.596 11.853 1.002 633 HB2 SER 76 HB2 SER 76 -2.630 11.490 0.531 634 HB3 SER 76 HB3 SER 76 -3.770 11.955 -0.732 635 HG SER 76 HG SER 76 -2.558 13.642 0.610 636 H LEU 77 H LEU 77 -3.738 9.064 1.834 637 HA LEU 77 HA LEU 77 -4.227 7.495 -0.448 638 HB2 LEU 77 HB2 LEU 77 -3.298 7.045 2.301 639 HB3 LEU 77 HB3 LEU 77 -4.097 5.666 1.570 640 HG LEU 77 HG LEU 77 -2.377 6.444 -0.417 641 HD11 LEU 77 HD11 LEU 77 -1.435 7.620 2.010 642 HD12 LEU 77 HD12 LEU 77 -0.733 7.679 0.395 643 HD13 LEU 77 HD13 LEU 77 -0.314 6.364 1.489 644 HD21 LEU 77 HD21 LEU 77 -2.925 4.181 0.733 645 HD22 LEU 77 HD22 LEU 77 -1.489 4.528 1.696 646 HD23 LEU 77 HD23 LEU 77 -1.364 4.401 -0.058 647 H ARG 78 H ARG 78 -6.049 8.137 2.446 648 HA ARG 78 HA ARG 78 -7.977 6.147 2.234 649 HB2 ARG 78 HB2 ARG 78 -7.790 8.806 3.541 650 HB3 ARG 78 HB3 ARG 78 -9.393 8.118 3.362 651 HG2 ARG 78 HG2 ARG 78 -7.316 6.334 4.457 652 HG3 ARG 78 HG3 ARG 78 -7.834 7.674 5.481 653 HD2 ARG 78 HD2 ARG 78 -10.100 6.377 4.262 654 HD3 ARG 78 HD3 ARG 78 -9.105 5.211 5.132 655 HE ARG 78 HE ARG 78 -9.340 7.215 6.911 656 HH11 ARG 78 HH11 ARG 78 -11.696 5.479 5.007 657 HH12 ARG 78 HH12 ARG 78 -12.962 5.671 6.172 658 HH21 ARG 78 HH21 ARG 78 -11.006 7.467 8.444 659 HH22 ARG 78 HH22 ARG 78 -12.571 6.799 8.122 660 H LYS 79 H LYS 79 -7.512 9.066 0.460 661 HA LYS 79 HA LYS 79 -10.175 8.988 -0.685 662 HB2 LYS 79 HB2 LYS 79 -9.011 11.140 -0.044 663 HB3 LYS 79 HB3 LYS 79 -7.944 10.867 -1.415 664 HG2 LYS 79 HG2 LYS 79 -10.339 10.627 -2.623 665 HG3 LYS 79 HG3 LYS 79 -10.741 11.771 -1.341 666 HD2 LYS 79 HD2 LYS 79 -8.234 12.315 -2.790 667 HD3 LYS 79 HD3 LYS 79 -9.713 12.480 -3.740 668 HE2 LYS 79 HE2 LYS 79 -10.619 14.026 -2.098 669 HE3 LYS 79 HE3 LYS 79 -9.187 13.821 -1.089 670 HZ1 LYS 79 HZ1 LYS 79 -9.165 14.926 -3.846 671 HZ2 LYS 79 HZ2 LYS 79 -7.845 14.822 -2.793 672 HZ3 LYS 79 HZ3 LYS 79 -9.132 15.858 -2.434 673 H LYS 80 H LYS 80 -6.863 8.851 -1.849 674 HA LYS 80 HA LYS 80 -7.649 8.111 -4.485 675 HB2 LYS 80 HB2 LYS 80 -5.174 8.790 -3.114 676 HB3 LYS 80 HB3 LYS 80 -4.965 7.506 -4.296 677 HG2 LYS 80 HG2 LYS 80 -4.533 9.674 -5.287 678 HG3 LYS 80 HG3 LYS 80 -5.954 8.928 -6.019 679 HD2 LYS 80 HD2 LYS 80 -7.350 10.281 -4.418 680 HD3 LYS 80 HD3 LYS 80 -5.874 11.146 -3.982 681 HE2 LYS 80 HE2 LYS 80 -7.289 11.073 -6.631 682 HE3 LYS 80 HE3 LYS 80 -6.923 12.472 -5.622 683 HZ1 LYS 80 HZ1 LYS 80 -5.430 12.393 -7.487 684 HZ2 LYS 80 HZ2 LYS 80 -4.959 10.814 -7.109 685 HZ3 LYS 80 HZ3 LYS 80 -4.555 12.087 -6.072 686 H LEU 81 H LEU 81 -5.967 6.430 -1.895 687 HA LEU 81 HA LEU 81 -5.875 3.921 -3.182 688 HB2 LEU 81 HB2 LEU 81 -4.725 4.932 -0.961 689 HB3 LEU 81 HB3 LEU 81 -5.989 3.970 -0.224 690 HG LEU 81 HG LEU 81 -4.414 2.359 -0.259 691 HD11 LEU 81 HD11 LEU 81 -6.163 1.700 -1.959 692 HD12 LEU 81 HD12 LEU 81 -4.617 0.859 -2.065 693 HD13 LEU 81 HD13 LEU 81 -4.995 2.155 -3.200 694 HD21 LEU 81 HD21 LEU 81 -2.859 2.688 -2.605 695 HD22 LEU 81 HD22 LEU 81 -2.379 2.914 -0.924 696 HD23 LEU 81 HD23 LEU 81 -3.035 4.269 -1.842 697 H GLY 82 H GLY 82 -7.812 4.770 -0.307 698 HA2 GLY 82 HA2 GLY 82 -10.261 4.486 -0.450 699 HA3 GLY 82 HA3 GLY 82 -9.946 3.027 -1.377 700 H ALA 83 H ALA 83 -10.659 1.395 -0.159 701 HA ALA 83 HA ALA 83 -10.656 1.381 2.670 702 HB1 ALA 83 HB1 ALA 83 -12.280 0.029 1.708 703 HB2 ALA 83 HB2 ALA 83 -11.089 -1.133 2.292 704 HB3 ALA 83 HB3 ALA 83 -11.141 -0.708 0.581 705 H TYR 84 H TYR 84 -8.172 0.802 0.426 706 HA TYR 84 HA TYR 84 -6.670 -0.965 2.179 707 HB2 TYR 84 HB2 TYR 84 -5.536 0.251 -0.315 708 HB3 TYR 84 HB3 TYR 84 -5.211 -1.323 0.401 709 HD1 TYR 84 HD1 TYR 84 -8.146 -2.134 0.760 710 HD2 TYR 84 HD2 TYR 84 -6.013 -0.480 -2.528 711 HE1 TYR 84 HE1 TYR 84 -9.750 -3.166 -0.792 712 HE2 TYR 84 HE2 TYR 84 -7.611 -1.507 -4.089 713 HH TYR 84 HH TYR 84 -10.567 -2.846 -3.078 714 H GLY 85 H GLY 85 -6.564 2.352 0.957 715 HA2 GLY 85 HA2 GLY 85 -4.098 3.137 1.999 716 HA3 GLY 85 HA3 GLY 85 -5.465 4.212 1.744 717 H SER 86 H SER 86 -7.209 2.766 3.560 718 HA SER 86 HA SER 86 -6.565 4.125 5.960 719 HB2 SER 86 HB2 SER 86 -8.870 3.210 4.969 720 HB3 SER 86 HB3 SER 86 -8.485 1.847 6.019 721 HG SER 86 HG SER 86 -9.345 3.071 7.499 722 H ARG 87 H ARG 87 -5.489 1.188 4.668 723 HA ARG 87 HA ARG 87 -5.224 -0.573 6.736 724 HB2 ARG 87 HB2 ARG 87 -4.453 -1.029 4.460 725 HB3 ARG 87 HB3 ARG 87 -3.141 0.123 4.658 726 HG2 ARG 87 HG2 ARG 87 -2.169 -1.280 6.406 727 HG3 ARG 87 HG3 ARG 87 -3.487 -2.437 6.206 728 HD2 ARG 87 HD2 ARG 87 -1.304 -1.732 4.269 729 HD3 ARG 87 HD3 ARG 87 -1.693 -3.309 4.954 730 HE ARG 87 HE ARG 87 -3.913 -2.837 3.612 731 HH11 ARG 87 HH11 ARG 87 -0.605 -2.301 2.621 732 HH12 ARG 87 HH12 ARG 87 -0.944 -2.534 0.940 733 HH21 ARG 87 HH21 ARG 87 -4.352 -3.146 1.402 734 HH22 ARG 87 HH22 ARG 87 -3.067 -3.014 0.248 735 H ILE 88 H ILE 88 -3.484 2.415 6.233 736 HA ILE 88 HA ILE 88 -1.508 1.950 8.257 737 HB ILE 88 HB ILE 88 -2.356 4.668 7.275 738 HG12 ILE 88 HG12 ILE 88 -0.112 3.616 5.807 739 HG13 ILE 88 HG13 ILE 88 -1.490 2.536 5.630 740 HG21 ILE 88 HG21 ILE 88 0.478 4.134 7.602 741 HG22 ILE 88 HG22 ILE 88 -0.435 3.844 9.082 742 HG23 ILE 88 HG23 ILE 88 -0.519 5.416 8.289 743 HD11 ILE 88 HD11 ILE 88 -1.049 5.222 4.566 744 HD12 ILE 88 HD12 ILE 88 -2.658 4.947 5.235 745 HD13 ILE 88 HD13 ILE 88 -2.045 3.901 3.955 746 H VAL 89 H VAL 89 -2.290 1.556 10.270 747 HA VAL 89 HA VAL 89 -4.415 3.277 11.319 748 HB VAL 89 HB VAL 89 -3.248 0.758 12.507 749 HG11 VAL 89 HG11 VAL 89 -5.791 2.209 13.222 750 HG12 VAL 89 HG12 VAL 89 -4.281 2.336 14.124 751 HG13 VAL 89 HG13 VAL 89 -5.115 0.786 14.015 752 HG21 VAL 89 HG21 VAL 89 -5.344 1.229 10.496 753 HG22 VAL 89 HG22 VAL 89 -5.770 0.109 11.790 754 HG23 VAL 89 HG23 VAL 89 -4.350 -0.197 10.790 755 H THR 90 H THR 90 -3.884 4.972 12.502 756 HA THR 90 HA THR 90 -1.263 5.094 13.787 757 HB THR 90 HB THR 90 -3.111 7.392 14.014 758 HG1 THR 90 HG1 THR 90 -3.043 7.922 11.897 759 HG21 THR 90 HG21 THR 90 -0.959 8.430 12.907 760 HG22 THR 90 HG22 THR 90 -0.224 6.947 13.515 761 HG23 THR 90 HG23 THR 90 -1.029 8.053 14.629 762 H LEU 91 H LEU 91 -1.614 3.680 15.526 763 HA LEU 91 HA LEU 91 -3.810 3.933 17.308 764 HB2 LEU 91 HB2 LEU 91 -1.535 2.224 16.981 765 HB3 LEU 91 HB3 LEU 91 -1.627 2.734 18.656 766 HG LEU 91 HG LEU 91 -2.788 0.601 18.256 767 HD11 LEU 91 HD11 LEU 91 -5.116 1.504 19.091 768 HD12 LEU 91 HD12 LEU 91 -4.219 3.016 19.234 769 HD13 LEU 91 HD13 LEU 91 -3.680 1.584 20.112 770 HD21 LEU 91 HD21 LEU 91 -3.718 0.510 16.193 771 HD22 LEU 91 HD22 LEU 91 -4.129 2.225 16.179 772 HD23 LEU 91 HD23 LEU 91 -5.135 1.084 17.072 773 H ARG 92 H ARG 92 -4.109 5.218 19.014 774 HA ARG 92 HA ARG 92 -2.213 7.305 19.563 775 HB2 ARG 92 HB2 ARG 92 -4.932 6.591 20.619 776 HB3 ARG 92 HB3 ARG 92 -3.960 7.817 21.420 777 HG2 ARG 92 HG2 ARG 92 -4.290 9.332 19.793 778 HG3 ARG 92 HG3 ARG 92 -4.225 8.125 18.508 779 HD2 ARG 92 HD2 ARG 92 -6.479 7.479 18.885 780 HD3 ARG 92 HD3 ARG 92 -6.559 8.399 20.387 781 HE ARG 92 HE ARG 92 -6.905 9.402 17.715 782 HH11 ARG 92 HH11 ARG 92 -6.052 10.231 20.996 783 HH12 ARG 92 HH12 ARG 92 -6.476 11.900 20.817 784 HH21 ARG 92 HH21 ARG 92 -7.463 11.597 17.478 785 HH22 ARG 92 HH22 ARG 92 -7.278 12.676 18.820 786 H GLY 93 H GLY 93 -0.533 5.641 20.155 787 HA2 GLY 93 HA2 GLY 93 0.366 5.762 22.655 788 HA3 GLY 93 HA3 GLY 93 -0.832 4.485 22.813 789 H VAL 94 H VAL 94 -0.489 3.209 20.352 790 HA VAL 94 HA VAL 94 1.959 1.758 20.889 791 HB VAL 94 HB VAL 94 0.235 1.149 18.524 792 HG11 VAL 94 HG11 VAL 94 2.302 -0.125 19.021 793 HG12 VAL 94 HG12 VAL 94 0.848 -1.123 19.017 794 HG13 VAL 94 HG13 VAL 94 1.579 -0.637 20.546 795 HG21 VAL 94 HG21 VAL 94 -1.602 1.116 19.811 796 HG22 VAL 94 HG22 VAL 94 -0.673 1.164 21.309 797 HG23 VAL 94 HG23 VAL 94 -0.920 -0.369 20.474 798 H GLY 95 H GLY 95 0.538 3.540 18.160 799 HA2 GLY 95 HA2 GLY 95 2.358 5.081 17.176 800 HA3 GLY 95 HA3 GLY 95 3.177 3.559 16.861 801 H TYR 96 H TYR 96 2.987 2.916 14.835 802 HA TYR 96 HA TYR 96 0.451 3.445 13.435 803 HB2 TYR 96 HB2 TYR 96 3.105 4.286 12.740 804 HB3 TYR 96 HB3 TYR 96 2.514 3.177 11.512 805 HD1 TYR 96 HD1 TYR 96 -0.349 3.790 11.437 806 HD2 TYR 96 HD2 TYR 96 2.980 6.406 11.802 807 HE1 TYR 96 HE1 TYR 96 -1.677 5.606 10.446 808 HE2 TYR 96 HE2 TYR 96 1.665 8.232 10.813 809 HH TYR 96 HH TYR 96 -0.938 7.890 9.076 810 H LEU 97 H LEU 97 -0.573 1.560 13.262 811 HA LEU 97 HA LEU 97 1.020 -0.831 12.615 812 HB2 LEU 97 HB2 LEU 97 -0.111 -1.139 14.692 813 HB3 LEU 97 HB3 LEU 97 -1.621 -0.540 14.033 814 HG LEU 97 HG LEU 97 -0.597 -2.885 12.613 815 HD11 LEU 97 HD11 LEU 97 -0.394 -2.945 15.430 816 HD12 LEU 97 HD12 LEU 97 -0.182 -4.267 14.282 817 HD13 LEU 97 HD13 LEU 97 -1.773 -3.944 14.970 818 HD21 LEU 97 HD21 LEU 97 -3.054 -3.536 13.436 819 HD22 LEU 97 HD22 LEU 97 -2.749 -2.500 12.042 820 HD23 LEU 97 HD23 LEU 97 -3.152 -1.783 13.602 821 H PHE 98 H PHE 98 0.290 -2.257 11.036 822 HA PHE 98 HA PHE 98 -1.460 -1.022 9.032 823 HB2 PHE 98 HB2 PHE 98 0.186 -3.429 8.413 824 HB3 PHE 98 HB3 PHE 98 -0.220 -2.058 7.389 825 HD1 PHE 98 HD1 PHE 98 0.664 0.185 9.098 826 HD2 PHE 98 HD2 PHE 98 2.512 -3.558 8.272 827 HE1 PHE 98 HE1 PHE 98 2.868 1.177 9.556 828 HE2 PHE 98 HE2 PHE 98 4.719 -2.572 8.733 829 HZ PHE 98 HZ PHE 98 4.899 -0.203 9.374 830 H SER 99 H SER 99 -3.459 -1.613 9.735 831 HA SER 99 HA SER 99 -4.365 -3.875 10.906 832 HB2 SER 99 HB2 SER 99 -6.494 -3.206 10.348 833 HB3 SER 99 HB3 SER 99 -5.606 -1.715 10.039 834 HG SER 99 HG SER 99 -5.477 -2.433 7.814 835 H ASP 100 H ASP 100 -5.751 -5.622 10.017 836 HA ASP 100 HA ASP 100 -4.262 -7.308 8.321 837 HB2 ASP 100 HB2 ASP 100 -6.630 -7.455 9.939 838 HB3 ASP 100 HB3 ASP 100 -6.927 -8.228 8.388 839 H ASP 101 H ASP 101 -6.548 -4.877 7.658 840 HA ASP 101 HA ASP 101 -7.729 -5.780 5.288 841 HB2 ASP 101 HB2 ASP 101 -8.318 -3.745 6.755 842 HB3 ASP 101 HB3 ASP 101 -7.112 -2.883 5.803 843 H GLY 102 H GLY 102 -5.235 -6.659 4.806 844 HA2 GLY 102 HA2 GLY 102 -4.486 -6.265 2.360 845 HA3 GLY 102 HA3 GLY 102 -3.962 -4.720 3.010 846 H ASP 103 H ASP 103 -3.640 -8.204 3.627 847 HA ASP 103 HA ASP 103 -1.024 -7.773 4.793 848 HB2 ASP 103 HB2 ASP 103 -3.086 -9.812 4.994 849 HB3 ASP 103 HB3 ASP 103 -1.492 -10.516 4.743 850 H LYS 104 H LYS 104 0.329 -10.051 4.152 851 HA LYS 104 HA LYS 104 1.493 -9.464 1.704 852 HB2 LYS 104 HB2 LYS 104 2.445 -11.818 1.949 853 HB3 LYS 104 HB3 LYS 104 2.793 -10.679 3.233 854 HG2 LYS 104 HG2 LYS 104 1.162 -11.690 4.657 855 HG3 LYS 104 HG3 LYS 104 0.575 -12.710 3.342 856 HD2 LYS 104 HD2 LYS 104 3.410 -12.823 4.340 857 HD3 LYS 104 HD3 LYS 104 2.120 -13.805 5.036 858 HE2 LYS 104 HE2 LYS 104 1.789 -14.985 3.033 859 HE3 LYS 104 HE3 LYS 104 2.685 -13.798 2.088 860 HZ1 LYS 104 HZ1 LYS 104 4.595 -14.831 2.507 861 HZ2 LYS 104 HZ2 LYS 104 3.676 -16.131 3.077 862 HZ3 LYS 104 HZ3 LYS 104 4.270 -14.977 4.161 863 H LYS 105 H LYS 105 1.748 -11.320 -0.017 864 HA LYS 105 HA LYS 105 -0.729 -12.685 -0.587 865 HB2 LYS 105 HB2 LYS 105 -0.353 -10.161 -1.645 866 HB3 LYS 105 HB3 LYS 105 0.169 -11.220 -2.947 867 HG2 LYS 105 HG2 LYS 105 -2.081 -10.908 -3.384 868 HG3 LYS 105 HG3 LYS 105 -2.050 -12.459 -2.542 869 HD2 LYS 105 HD2 LYS 105 -3.832 -11.226 -1.590 870 HD3 LYS 105 HD3 LYS 105 -2.515 -11.168 -0.417 871 HE2 LYS 105 HE2 LYS 105 -1.894 -8.952 -1.638 872 HE3 LYS 105 HE3 LYS 105 -3.561 -9.013 -2.206 873 HZ1 LYS 105 HZ1 LYS 105 -3.941 -7.920 -0.296 874 HZ2 LYS 105 HZ2 LYS 105 -2.529 -8.477 0.451 875 HZ3 LYS 105 HZ3 LYS 105 -3.901 -9.465 0.395 876 H PHE 106 H PHE 106 0.329 -14.633 -0.535 877 HA PHE 106 HA PHE 106 2.815 -15.168 -1.726 878 HB2 PHE 106 HB2 PHE 106 1.746 -16.595 0.003 879 HB3 PHE 106 HB3 PHE 106 0.564 -17.117 -1.193 880 HD1 PHE 106 HD1 PHE 106 4.066 -17.320 -0.135 881 HD2 PHE 106 HD2 PHE 106 1.146 -18.686 -2.914 882 HE1 PHE 106 HE1 PHE 106 5.584 -19.126 -0.836 883 HE2 PHE 106 HE2 PHE 106 2.658 -20.494 -3.620 884 HZ PHE 106 HZ PHE 106 4.880 -20.716 -2.580 885 H SER 107 H SER 107 3.086 -14.641 -3.828 886 HA SER 107 HA SER 107 1.146 -14.896 -5.844 887 HB2 SER 107 HB2 SER 107 3.981 -14.199 -5.677 888 HB3 SER 107 HB3 SER 107 3.569 -15.034 -7.175 889 HG SER 107 HG SER 107 1.913 -13.470 -7.481 890 H GLN 108 H GLN 108 0.469 -16.591 -6.996 891 HA GLN 108 HA GLN 108 2.116 -18.997 -7.056 892 HB2 GLN 108 HB2 GLN 108 -0.264 -18.756 -5.644 893 HB3 GLN 108 HB3 GLN 108 -0.731 -19.579 -7.126 894 HG2 GLN 108 HG2 GLN 108 1.694 -20.655 -5.918 895 HG3 GLN 108 HG3 GLN 108 0.275 -20.768 -4.879 896 HE21 GLN 108 HE21 GLN 108 0.966 -21.155 -8.343 897 HE22 GLN 108 HE22 GLN 108 0.153 -22.670 -8.509 898 H GLN 109 H GLN 109 -1.045 -18.108 -8.415 899 HA GLN 109 HA GLN 109 -0.533 -19.315 -10.908 900 HB2 GLN 109 HB2 GLN 109 -2.791 -18.733 -9.848 901 HB3 GLN 109 HB3 GLN 109 -2.530 -17.105 -10.460 902 HG2 GLN 109 HG2 GLN 109 -3.703 -17.919 -12.203 903 HG3 GLN 109 HG3 GLN 109 -2.102 -18.454 -12.713 904 HE21 GLN 109 HE21 GLN 109 -4.132 -19.752 -13.787 905 HE22 GLN 109 HE22 GLN 109 -4.329 -21.323 -13.096 906 H ASP 110 H ASP 110 -0.112 -18.402 -12.939 907 HA ASP 110 HA ASP 110 1.076 -15.705 -12.861 908 HB2 ASP 110 HB2 ASP 110 2.684 -17.683 -13.102 909 HB3 ASP 110 HB3 ASP 110 1.991 -17.908 -14.705 910 H THR 111 H THR 111 -1.660 -16.499 -13.556 911 HA THR 111 HA THR 111 -1.862 -15.048 -16.011 912 HB THR 111 HB THR 111 -3.275 -16.910 -17.079 913 HG1 THR 111 HG1 THR 111 -1.773 -18.444 -15.227 914 HG21 THR 111 HG21 THR 111 -0.385 -17.658 -16.873 915 HG22 THR 111 HG22 THR 111 -0.918 -16.233 -17.766 916 HG23 THR 111 HG23 THR 111 -1.484 -17.834 -18.241 917 H LYS 112 H LYS 112 -3.576 -13.768 -15.830 918 HA LYS 112 HA LYS 112 -5.358 -13.884 -13.674 919 HB2 LYS 112 HB2 LYS 112 -5.198 -12.330 -16.205 920 HB3 LYS 112 HB3 LYS 112 -6.737 -12.335 -15.356 921 HG2 LYS 112 HG2 LYS 112 -5.979 -11.021 -13.706 922 HG3 LYS 112 HG3 LYS 112 -4.404 -11.815 -13.658 923 HD2 LYS 112 HD2 LYS 112 -5.119 -10.058 -15.970 924 HD3 LYS 112 HD3 LYS 112 -4.588 -9.338 -14.448 925 HE2 LYS 112 HE2 LYS 112 -2.993 -11.552 -15.657 926 HE3 LYS 112 HE3 LYS 112 -2.857 -9.926 -16.326 927 HZ1 LYS 112 HZ1 LYS 112 -2.324 -9.142 -14.058 928 HZ2 LYS 112 HZ2 LYS 112 -1.179 -10.225 -14.673 929 HZ3 LYS 112 HZ3 LYS 112 -2.308 -10.749 -13.527 930 H LEU 113 H LEU 113 -6.360 -15.869 -13.509 931 HA LEU 113 HA LEU 113 -7.626 -17.249 -15.593 932 HB2 LEU 113 HB2 LEU 113 -7.110 -17.738 -12.949 933 HB3 LEU 113 HB3 LEU 113 -8.854 -17.553 -12.943 934 HG LEU 113 HG LEU 113 -8.214 -19.895 -13.179 935 HD11 LEU 113 HD11 LEU 113 -10.239 -19.715 -14.174 936 HD12 LEU 113 HD12 LEU 113 -9.300 -20.148 -15.602 937 HD13 LEU 113 HD13 LEU 113 -9.704 -18.460 -15.291 938 HD21 LEU 113 HD21 LEU 113 -6.807 -20.726 -14.779 939 HD22 LEU 113 HD22 LEU 113 -6.076 -19.142 -14.518 940 HD23 LEU 113 HD23 LEU 113 -7.130 -19.408 -15.906 941 H SER 114 H SER 114 -9.355 -16.713 -16.739 942 HA SER 114 HA SER 114 -11.717 -15.682 -15.502 943 HB2 SER 114 HB2 SER 114 -10.090 -13.688 -16.029 944 HB3 SER 114 HB3 SER 114 -10.655 -13.926 -17.682 945 HG SER 114 HG SER 114 -12.836 -13.808 -16.695 946 H LEU 115 H LEU 115 -13.557 -15.894 -16.794 947 HA LEU 115 HA LEU 115 -13.498 -17.927 -18.718 948 HB2 LEU 115 HB2 LEU 115 -15.497 -16.044 -17.635 949 HB3 LEU 115 HB3 LEU 115 -15.859 -16.706 -19.214 950 HG LEU 115 HG LEU 115 -16.120 -18.861 -18.410 951 HD11 LEU 115 HD11 LEU 115 -14.138 -19.362 -17.315 952 HD12 LEU 115 HD12 LEU 115 -15.329 -19.429 -16.016 953 HD13 LEU 115 HD13 LEU 115 -14.298 -18.009 -16.194 954 HD21 LEU 115 HD21 LEU 115 -17.941 -17.626 -17.557 955 HD22 LEU 115 HD22 LEU 115 -16.966 -16.950 -16.252 956 HD23 LEU 115 HD23 LEU 115 -17.395 -18.661 -16.237 957 H GLU 116 H GLU 116 -12.624 -17.796 -20.675 958 HA GLU 116 HA GLU 116 -13.308 -15.524 -22.379 959 HB2 GLU 116 HB2 GLU 116 -10.474 -16.504 -21.992 960 HB3 GLU 116 HB3 GLU 116 -10.987 -15.285 -23.151 961 HG2 GLU 116 HG2 GLU 116 -11.952 -14.263 -20.823 962 HG3 GLU 116 HG3 GLU 116 -10.478 -15.063 -20.281 Start of MODEL 11 1 H1 HIS 1 H1 HIS 1 13.018 -12.104 -7.040 2 H2 HIS 1 H2 HIS 1 13.716 -13.185 -5.905 3 H3 HIS 1 H3 HIS 1 13.205 -11.624 -5.405 4 HA HIS 1 HA HIS 1 10.936 -12.266 -6.098 5 HB2 HIS 1 HB2 HIS 1 12.364 -14.459 -7.107 6 HB3 HIS 1 HB3 HIS 1 11.462 -15.095 -5.735 7 HD1 HIS 1 HD1 HIS 1 9.071 -15.650 -6.150 8 HD2 HIS 1 HD2 HIS 1 10.626 -13.133 -9.067 9 HE1 HIS 1 HE1 HIS 1 7.269 -15.446 -7.891 10 HE2 HIS 1 HE2 HIS 1 8.200 -13.851 -9.605 11 H SER 2 H SER 2 10.859 -11.263 -4.047 12 HA SER 2 HA SER 2 10.678 -13.173 -1.843 13 HB2 SER 2 HB2 SER 2 12.889 -11.544 -2.063 14 HB3 SER 2 HB3 SER 2 11.836 -10.615 -0.996 15 HG SER 2 HG SER 2 12.816 -13.246 -0.636 16 H VAL 3 H VAL 3 10.532 -9.624 -2.136 17 HA VAL 3 HA VAL 3 8.009 -9.617 -0.699 18 HB VAL 3 HB VAL 3 8.222 -7.115 -0.899 19 HG11 VAL 3 HG11 VAL 3 10.046 -8.927 0.545 20 HG12 VAL 3 HG12 VAL 3 8.939 -7.700 1.160 21 HG13 VAL 3 HG13 VAL 3 10.509 -7.225 0.511 22 HG21 VAL 3 HG21 VAL 3 11.072 -7.374 -1.610 23 HG22 VAL 3 HG22 VAL 3 9.914 -6.103 -2.001 24 HG23 VAL 3 HG23 VAL 3 9.923 -7.603 -2.927 25 HA PRO 4 HA PRO 4 5.274 -9.374 -4.148 26 HB2 PRO 4 HB2 PRO 4 3.908 -7.162 -2.714 27 HB3 PRO 4 HB3 PRO 4 3.253 -8.690 -3.311 28 HG2 PRO 4 HG2 PRO 4 3.670 -8.301 -0.704 29 HG3 PRO 4 HG3 PRO 4 3.973 -9.878 -1.458 30 HD2 PRO 4 HD2 PRO 4 5.919 -7.774 -0.610 31 HD3 PRO 4 HD3 PRO 4 6.056 -9.542 -0.523 32 H GLU 5 H GLU 5 4.013 -7.438 -5.367 33 HA GLU 5 HA GLU 5 5.800 -5.163 -5.738 34 HB2 GLU 5 HB2 GLU 5 5.715 -7.379 -7.505 35 HB3 GLU 5 HB3 GLU 5 4.950 -6.024 -8.323 36 HG2 GLU 5 HG2 GLU 5 7.052 -4.713 -7.519 37 HG3 GLU 5 HG3 GLU 5 7.757 -6.322 -7.371 38 H SER 6 H SER 6 3.129 -6.463 -7.611 39 HA SER 6 HA SER 6 1.812 -3.924 -7.713 40 HB2 SER 6 HB2 SER 6 0.744 -6.634 -8.538 41 HB3 SER 6 HB3 SER 6 0.110 -5.063 -9.025 42 HG SER 6 HG SER 6 1.954 -6.465 -10.238 43 H ILE 7 H ILE 7 -0.611 -3.828 -7.187 44 HA ILE 7 HA ILE 7 -1.020 -5.006 -4.516 45 HB ILE 7 HB ILE 7 -2.372 -2.500 -5.481 46 HG12 ILE 7 HG12 ILE 7 0.254 -2.716 -3.987 47 HG13 ILE 7 HG13 ILE 7 0.046 -2.120 -5.630 48 HG21 ILE 7 HG21 ILE 7 -2.226 -4.040 -2.985 49 HG22 ILE 7 HG22 ILE 7 -3.494 -2.975 -3.592 50 HG23 ILE 7 HG23 ILE 7 -2.076 -2.293 -2.795 51 HD11 ILE 7 HD11 ILE 7 -0.408 -0.081 -4.902 52 HD12 ILE 7 HD12 ILE 7 0.055 -0.630 -3.292 53 HD13 ILE 7 HD13 ILE 7 -1.636 -0.682 -3.788 54 H ARG 8 H ARG 8 -2.013 -6.873 -5.410 55 HA ARG 8 HA ARG 8 -4.454 -6.540 -6.947 56 HB2 ARG 8 HB2 ARG 8 -2.626 -8.408 -7.180 57 HB3 ARG 8 HB3 ARG 8 -3.518 -9.172 -5.872 58 HG2 ARG 8 HG2 ARG 8 -4.933 -10.004 -7.351 59 HG3 ARG 8 HG3 ARG 8 -5.421 -8.364 -7.785 60 HD2 ARG 8 HD2 ARG 8 -3.287 -8.395 -9.261 61 HD3 ARG 8 HD3 ARG 8 -3.396 -10.145 -9.083 62 HE ARG 8 HE ARG 8 -5.889 -9.430 -9.872 63 HH11 ARG 8 HH11 ARG 8 -2.696 -8.831 -11.147 64 HH12 ARG 8 HH12 ARG 8 -3.231 -8.750 -12.791 65 HH21 ARG 8 HH21 ARG 8 -6.595 -9.325 -12.035 66 HH22 ARG 8 HH22 ARG 8 -5.444 -9.031 -13.296 67 H PHE 9 H PHE 9 -5.651 -5.405 -5.302 68 HA PHE 9 HA PHE 9 -6.479 -7.056 -3.019 69 HB2 PHE 9 HB2 PHE 9 -5.624 -4.683 -2.677 70 HB3 PHE 9 HB3 PHE 9 -7.105 -4.134 -3.453 71 HD1 PHE 9 HD1 PHE 9 -9.309 -5.221 -2.421 72 HD2 PHE 9 HD2 PHE 9 -5.593 -4.787 -0.393 73 HE1 PHE 9 HE1 PHE 9 -10.480 -5.335 -0.262 74 HE2 PHE 9 HE2 PHE 9 -6.757 -4.901 1.771 75 HZ PHE 9 HZ PHE 9 -9.204 -5.175 1.839 76 H GLY 10 H GLY 10 -7.965 -8.418 -3.990 77 HA2 GLY 10 HA2 GLY 10 -10.021 -9.071 -4.774 78 HA3 GLY 10 HA3 GLY 10 -10.611 -7.527 -4.178 79 HA PRO 11 HA PRO 11 -11.363 -7.247 -8.668 80 HB2 PRO 11 HB2 PRO 11 -13.175 -5.220 -8.472 81 HB3 PRO 11 HB3 PRO 11 -13.596 -6.922 -8.258 82 HG2 PRO 11 HG2 PRO 11 -13.055 -4.829 -6.188 83 HG3 PRO 11 HG3 PRO 11 -14.323 -6.069 -6.222 84 HD2 PRO 11 HD2 PRO 11 -12.084 -6.340 -4.738 85 HD3 PRO 11 HD3 PRO 11 -12.894 -7.730 -5.491 86 H ASN 12 H ASN 12 -10.411 -4.834 -6.342 87 HA ASN 12 HA ASN 12 -9.621 -2.959 -8.435 88 HB2 ASN 12 HB2 ASN 12 -9.921 -2.804 -5.465 89 HB3 ASN 12 HB3 ASN 12 -8.838 -1.670 -6.266 90 HD21 ASN 12 HD21 ASN 12 -11.506 -1.425 -4.886 91 HD22 ASN 12 HD22 ASN 12 -12.483 -0.544 -6.005 92 H VAL 13 H VAL 13 -7.578 -2.668 -9.097 93 HA VAL 13 HA VAL 13 -5.419 -3.956 -7.563 94 HB VAL 13 HB VAL 13 -5.577 -3.897 -10.579 95 HG11 VAL 13 HG11 VAL 13 -3.317 -3.930 -9.387 96 HG12 VAL 13 HG12 VAL 13 -3.617 -5.180 -10.594 97 HG13 VAL 13 HG13 VAL 13 -3.749 -5.563 -8.877 98 HG21 VAL 13 HG21 VAL 13 -5.702 -6.485 -9.192 99 HG22 VAL 13 HG22 VAL 13 -6.569 -5.917 -10.618 100 HG23 VAL 13 HG23 VAL 13 -7.132 -5.470 -9.008 101 H PHE 14 H PHE 14 -3.795 -2.630 -7.072 102 HA PHE 14 HA PHE 14 -3.585 -0.090 -8.546 103 HB2 PHE 14 HB2 PHE 14 -2.403 -0.558 -5.821 104 HB3 PHE 14 HB3 PHE 14 -2.833 0.966 -6.588 105 HD1 PHE 14 HD1 PHE 14 -4.331 -2.151 -5.227 106 HD2 PHE 14 HD2 PHE 14 -4.859 1.980 -6.104 107 HE1 PHE 14 HE1 PHE 14 -6.499 -2.186 -4.064 108 HE2 PHE 14 HE2 PHE 14 -7.028 1.953 -4.942 109 HZ PHE 14 HZ PHE 14 -7.850 -0.131 -3.920 110 H TYR 15 H TYR 15 -1.943 -0.001 -9.917 111 HA TYR 15 HA TYR 15 0.273 -1.833 -9.717 112 HB2 TYR 15 HB2 TYR 15 -0.215 0.429 -11.665 113 HB3 TYR 15 HB3 TYR 15 1.031 -0.806 -11.818 114 HD1 TYR 15 HD1 TYR 15 0.376 -3.166 -12.259 115 HD2 TYR 15 HD2 TYR 15 -2.467 -0.002 -12.308 116 HE1 TYR 15 HE1 TYR 15 -1.199 -4.608 -13.478 117 HE2 TYR 15 HE2 TYR 15 -4.050 -1.436 -13.526 118 HH TYR 15 HH TYR 15 -4.321 -4.169 -13.673 119 H VAL 16 H VAL 16 2.173 -1.463 -8.781 120 HA VAL 16 HA VAL 16 2.663 0.980 -7.391 121 HB VAL 16 HB VAL 16 4.889 -0.062 -6.868 122 HG11 VAL 16 HG11 VAL 16 2.701 -0.372 -5.576 123 HG12 VAL 16 HG12 VAL 16 4.002 -1.523 -5.269 124 HG13 VAL 16 HG13 VAL 16 2.649 -1.978 -6.304 125 HG21 VAL 16 HG21 VAL 16 3.973 -2.670 -7.892 126 HG22 VAL 16 HG22 VAL 16 5.599 -1.997 -7.791 127 HG23 VAL 16 HG23 VAL 16 4.528 -1.519 -9.108 128 H LEU 17 H LEU 17 3.129 0.120 -10.602 129 HA LEU 17 HA LEU 17 5.370 1.999 -10.913 130 HB2 LEU 17 HB2 LEU 17 4.354 -0.112 -12.816 131 HB3 LEU 17 HB3 LEU 17 5.707 0.960 -13.121 132 HG LEU 17 HG LEU 17 5.952 -0.594 -10.642 133 HD11 LEU 17 HD11 LEU 17 6.747 -2.577 -12.162 134 HD12 LEU 17 HD12 LEU 17 5.544 -1.925 -13.274 135 HD13 LEU 17 HD13 LEU 17 5.062 -2.443 -11.659 136 HD21 LEU 17 HD21 LEU 17 7.774 0.747 -11.461 137 HD22 LEU 17 HD22 LEU 17 7.730 -0.074 -13.021 138 HD23 LEU 17 HD23 LEU 17 8.220 -0.955 -11.574 139 H LYS 18 H LYS 18 2.059 1.364 -11.766 140 HA LYS 18 HA LYS 18 2.037 3.677 -13.572 141 HB2 LYS 18 HB2 LYS 18 -0.241 1.757 -13.131 142 HB3 LYS 18 HB3 LYS 18 0.017 2.844 -14.488 143 HG2 LYS 18 HG2 LYS 18 1.926 1.509 -15.207 144 HG3 LYS 18 HG3 LYS 18 1.686 0.423 -13.837 145 HD2 LYS 18 HD2 LYS 18 -0.362 -0.370 -14.694 146 HD3 LYS 18 HD3 LYS 18 -0.473 0.948 -15.863 147 HE2 LYS 18 HE2 LYS 18 0.166 -0.970 -17.089 148 HE3 LYS 18 HE3 LYS 18 1.618 0.017 -16.926 149 HZ1 LYS 18 HZ1 LYS 18 2.266 -1.405 -15.037 150 HZ2 LYS 18 HZ2 LYS 18 2.156 -2.261 -16.491 151 HZ3 LYS 18 HZ3 LYS 18 0.926 -2.394 -15.337 152 H LEU 19 H LEU 19 0.834 2.522 -10.515 153 HA LEU 19 HA LEU 19 -0.275 3.545 -8.816 154 HB2 LEU 19 HB2 LEU 19 0.443 6.045 -10.349 155 HB3 LEU 19 HB3 LEU 19 -0.214 6.024 -8.724 156 HG LEU 19 HG LEU 19 2.362 4.624 -9.387 157 HD11 LEU 19 HD11 LEU 19 1.846 7.522 -8.984 158 HD12 LEU 19 HD12 LEU 19 3.047 6.714 -9.992 159 HD13 LEU 19 HD13 LEU 19 3.286 6.817 -8.248 160 HD21 LEU 19 HD21 LEU 19 0.831 5.323 -6.955 161 HD22 LEU 19 HD22 LEU 19 2.586 5.464 -6.860 162 HD23 LEU 19 HD23 LEU 19 1.848 3.923 -7.295 163 H THR 20 H THR 20 -1.723 2.614 -11.127 164 HA THR 20 HA THR 20 -4.069 4.392 -10.980 165 HB THR 20 HB THR 20 -3.283 2.646 -13.321 166 HG1 THR 20 HG1 THR 20 -3.033 5.439 -12.919 167 HG21 THR 20 HG21 THR 20 -5.324 4.844 -13.281 168 HG22 THR 20 HG22 THR 20 -5.731 3.146 -13.030 169 HG23 THR 20 HG23 THR 20 -5.008 3.664 -14.553 170 H VAL 21 H VAL 21 -5.858 3.501 -10.180 171 HA VAL 21 HA VAL 21 -5.853 0.757 -9.346 172 HB VAL 21 HB VAL 21 -8.207 2.641 -9.282 173 HG11 VAL 21 HG11 VAL 21 -8.142 0.012 -8.709 174 HG12 VAL 21 HG12 VAL 21 -9.216 1.160 -7.910 175 HG13 VAL 21 HG13 VAL 21 -7.705 0.681 -7.137 176 HG21 VAL 21 HG21 VAL 21 -7.159 2.732 -6.770 177 HG22 VAL 21 HG22 VAL 21 -6.909 3.960 -8.010 178 HG23 VAL 21 HG23 VAL 21 -5.701 2.700 -7.762 179 H GLU 22 H GLU 22 -6.310 -0.878 -10.654 180 HA GLU 22 HA GLU 22 -7.736 -0.496 -13.120 181 HB2 GLU 22 HB2 GLU 22 -5.835 -2.281 -12.259 182 HB3 GLU 22 HB3 GLU 22 -7.294 -3.262 -12.239 183 HG2 GLU 22 HG2 GLU 22 -6.999 -1.662 -14.659 184 HG3 GLU 22 HG3 GLU 22 -5.693 -2.819 -14.408 185 H THR 23 H THR 23 -9.843 0.036 -12.711 186 HA THR 23 HA THR 23 -11.426 -1.831 -11.089 187 HB THR 23 HB THR 23 -13.028 -0.098 -10.794 188 HG1 THR 23 HG1 THR 23 -13.119 1.689 -12.019 189 HG21 THR 23 HG21 THR 23 -10.703 1.704 -10.726 190 HG22 THR 23 HG22 THR 23 -10.567 0.214 -9.793 191 HG23 THR 23 HG23 THR 23 -11.895 1.331 -9.482 192 HA PRO 24 HA PRO 24 -13.516 -3.351 -14.657 193 HB2 PRO 24 HB2 PRO 24 -15.961 -3.928 -13.668 194 HB3 PRO 24 HB3 PRO 24 -14.521 -4.850 -13.230 195 HG2 PRO 24 HG2 PRO 24 -15.917 -2.689 -11.714 196 HG3 PRO 24 HG3 PRO 24 -15.245 -4.219 -11.122 197 HD2 PRO 24 HD2 PRO 24 -13.967 -1.832 -10.891 198 HD3 PRO 24 HD3 PRO 24 -13.111 -3.377 -11.010 199 H GLU 25 H GLU 25 -14.892 -0.647 -12.933 200 HA GLU 25 HA GLU 25 -16.541 0.038 -15.267 201 HB2 GLU 25 HB2 GLU 25 -17.041 0.149 -12.485 202 HB3 GLU 25 HB3 GLU 25 -16.944 1.814 -13.043 203 HG2 GLU 25 HG2 GLU 25 -19.009 1.667 -13.805 204 HG3 GLU 25 HG3 GLU 25 -18.501 0.403 -14.923 205 H GLY 26 H GLY 26 -13.638 0.383 -15.145 206 HA2 GLY 26 HA2 GLY 26 -12.804 2.323 -16.514 207 HA3 GLY 26 HA3 GLY 26 -13.488 3.332 -15.249 208 H SER 27 H SER 27 -11.852 4.235 -14.186 209 HA SER 27 HA SER 27 -9.972 2.552 -12.792 210 HB2 SER 27 HB2 SER 27 -8.805 4.663 -14.602 211 HB3 SER 27 HB3 SER 27 -7.964 3.374 -13.740 212 HG SER 27 HG SER 27 -9.245 3.325 -16.166 213 H VAL 28 H VAL 28 -8.819 3.669 -11.136 214 HA VAL 28 HA VAL 28 -9.948 6.320 -10.506 215 HB VAL 28 HB VAL 28 -9.044 4.269 -8.485 216 HG11 VAL 28 HG11 VAL 28 -10.725 5.883 -7.167 217 HG12 VAL 28 HG12 VAL 28 -10.103 7.025 -8.359 218 HG13 VAL 28 HG13 VAL 28 -8.991 6.183 -7.279 219 HG21 VAL 28 HG21 VAL 28 -11.440 3.887 -8.049 220 HG22 VAL 28 HG22 VAL 28 -10.964 3.387 -9.672 221 HG23 VAL 28 HG23 VAL 28 -11.836 4.901 -9.436 222 H HIS 29 H HIS 29 -8.528 7.921 -10.368 223 HA HIS 29 HA HIS 29 -5.684 7.317 -10.357 224 HB2 HIS 29 HB2 HIS 29 -7.337 9.424 -11.390 225 HB3 HIS 29 HB3 HIS 29 -6.109 10.119 -10.338 226 HD1 HIS 29 HD1 HIS 29 -4.358 10.988 -11.855 227 HD2 HIS 29 HD2 HIS 29 -5.667 7.214 -12.999 228 HE1 HIS 29 HE1 HIS 29 -2.893 10.326 -13.789 229 HE2 HIS 29 HE2 HIS 29 -3.756 8.073 -14.516 230 H LEU 30 H LEU 30 -4.256 8.789 -8.998 231 HA LEU 30 HA LEU 30 -5.316 9.851 -6.570 232 HB2 LEU 30 HB2 LEU 30 -4.038 8.225 -5.100 233 HB3 LEU 30 HB3 LEU 30 -5.532 7.645 -5.808 234 HG LEU 30 HG LEU 30 -4.253 6.427 -7.521 235 HD11 LEU 30 HD11 LEU 30 -1.719 6.188 -6.803 236 HD12 LEU 30 HD12 LEU 30 -1.985 7.829 -6.215 237 HD13 LEU 30 HD13 LEU 30 -2.255 7.447 -7.916 238 HD21 LEU 30 HD21 LEU 30 -4.840 5.133 -5.648 239 HD22 LEU 30 HD22 LEU 30 -3.622 5.905 -4.631 240 HD23 LEU 30 HD23 LEU 30 -3.128 4.807 -5.921 241 H THR 31 H THR 31 -3.484 10.406 -5.011 242 HA THR 31 HA THR 31 -1.338 11.582 -6.573 243 HB THR 31 HB THR 31 -1.625 11.843 -3.594 244 HG1 THR 31 HG1 THR 31 -3.067 13.569 -3.991 245 HG21 THR 31 HG21 THR 31 -0.789 13.831 -5.690 246 HG22 THR 31 HG22 THR 31 0.308 12.901 -4.669 247 HG23 THR 31 HG23 THR 31 -0.790 14.075 -3.944 248 HA PRO 32 HA PRO 32 1.396 8.182 -5.671 249 HB2 PRO 32 HB2 PRO 32 3.742 9.478 -6.295 250 HB3 PRO 32 HB3 PRO 32 2.674 8.720 -7.480 251 HG2 PRO 32 HG2 PRO 32 2.886 11.595 -6.684 252 HG3 PRO 32 HG3 PRO 32 2.677 10.890 -8.298 253 HD2 PRO 32 HD2 PRO 32 0.618 11.973 -6.955 254 HD3 PRO 32 HD3 PRO 32 0.406 10.545 -7.990 255 H SER 33 H SER 33 1.437 11.246 -4.122 256 HA SER 33 HA SER 33 3.551 10.587 -2.290 257 HB2 SER 33 HB2 SER 33 1.654 12.747 -1.579 258 HB3 SER 33 HB3 SER 33 3.417 12.751 -1.568 259 HG SER 33 HG SER 33 2.542 14.102 -3.206 260 H GLU 34 H GLU 34 0.054 10.734 -2.205 261 HA GLU 34 HA GLU 34 -0.008 9.694 0.502 262 HB2 GLU 34 HB2 GLU 34 -2.231 10.337 -1.450 263 HB3 GLU 34 HB3 GLU 34 -2.496 9.748 0.184 264 HG2 GLU 34 HG2 GLU 34 -2.448 11.824 0.928 265 HG3 GLU 34 HG3 GLU 34 -0.780 11.976 0.380 266 H SER 35 H SER 35 -0.386 8.637 -2.771 267 HA SER 35 HA SER 35 -1.304 6.008 -2.012 268 HB2 SER 35 HB2 SER 35 -1.700 5.674 -4.229 269 HB3 SER 35 HB3 SER 35 -1.531 7.424 -4.328 270 HG SER 35 HG SER 35 -0.100 6.780 -5.789 271 H GLY 36 H GLY 36 1.619 7.716 -2.132 272 HA2 GLY 36 HA2 GLY 36 3.396 5.596 -2.768 273 HA3 GLY 36 HA3 GLY 36 3.822 7.099 -1.972 274 H ILE 37 H ILE 37 1.963 6.784 0.204 275 HA ILE 37 HA ILE 37 3.607 5.250 1.945 276 HB ILE 37 HB ILE 37 2.358 7.141 2.822 277 HG12 ILE 37 HG12 ILE 37 0.900 5.455 4.516 278 HG13 ILE 37 HG13 ILE 37 2.248 4.471 3.958 279 HG21 ILE 37 HG21 ILE 37 0.129 5.804 1.526 280 HG22 ILE 37 HG22 ILE 37 0.324 7.493 1.990 281 HG23 ILE 37 HG23 ILE 37 -0.243 6.314 3.172 282 HD11 ILE 37 HD11 ILE 37 3.770 5.682 5.087 283 HD12 ILE 37 HD12 ILE 37 2.371 6.073 6.087 284 HD13 ILE 37 HD13 ILE 37 2.906 7.198 4.840 285 H LEU 38 H LEU 38 0.729 4.587 0.138 286 HA LEU 38 HA LEU 38 0.167 2.096 1.460 287 HB2 LEU 38 HB2 LEU 38 -1.735 3.105 0.550 288 HB3 LEU 38 HB3 LEU 38 -0.922 3.512 -0.947 289 HG LEU 38 HG LEU 38 -1.119 0.626 -0.492 290 HD11 LEU 38 HD11 LEU 38 -3.666 2.150 -0.987 291 HD12 LEU 38 HD12 LEU 38 -3.231 1.425 0.561 292 HD13 LEU 38 HD13 LEU 38 -3.467 0.403 -0.857 293 HD21 LEU 38 HD21 LEU 38 -1.527 2.589 -2.698 294 HD22 LEU 38 HD22 LEU 38 -2.205 0.967 -2.848 295 HD23 LEU 38 HD23 LEU 38 -0.468 1.180 -2.623 296 H LYS 39 H LYS 39 2.168 3.197 -1.104 297 HA LYS 39 HA LYS 39 2.461 0.667 -2.405 298 HB2 LYS 39 HB2 LYS 39 2.808 2.916 -3.503 299 HB3 LYS 39 HB3 LYS 39 4.307 3.044 -2.594 300 HG2 LYS 39 HG2 LYS 39 5.348 1.391 -3.812 301 HG3 LYS 39 HG3 LYS 39 3.824 0.649 -4.304 302 HD2 LYS 39 HD2 LYS 39 4.182 1.696 -6.258 303 HD3 LYS 39 HD3 LYS 39 3.614 3.135 -5.409 304 HE2 LYS 39 HE2 LYS 39 6.014 3.540 -4.744 305 HE3 LYS 39 HE3 LYS 39 6.457 2.261 -5.873 306 HZ1 LYS 39 HZ1 LYS 39 4.958 4.717 -6.607 307 HZ2 LYS 39 HZ2 LYS 39 5.506 3.521 -7.669 308 HZ3 LYS 39 HZ3 LYS 39 6.618 4.493 -6.845 309 H ARG 40 H ARG 40 4.236 2.492 0.000 310 HA ARG 40 HA ARG 40 6.375 0.566 0.119 311 HB2 ARG 40 HB2 ARG 40 5.700 3.092 1.546 312 HB3 ARG 40 HB3 ARG 40 6.784 1.965 2.350 313 HG2 ARG 40 HG2 ARG 40 8.055 3.610 1.130 314 HG3 ARG 40 HG3 ARG 40 8.267 2.021 0.391 315 HD2 ARG 40 HD2 ARG 40 6.068 3.691 -0.665 316 HD3 ARG 40 HD3 ARG 40 7.707 4.241 -1.010 317 HE ARG 40 HE ARG 40 6.382 1.931 -2.099 318 HH11 ARG 40 HH11 ARG 40 9.470 3.404 -1.409 319 HH12 ARG 40 HH12 ARG 40 10.313 2.499 -2.621 320 HH21 ARG 40 HH21 ARG 40 7.489 0.740 -3.693 321 HH22 ARG 40 HH22 ARG 40 9.189 0.987 -3.918 322 H LEU 41 H LEU 41 3.348 1.084 1.686 323 HA LEU 41 HA LEU 41 3.914 -0.728 3.860 324 HB2 LEU 41 HB2 LEU 41 1.443 0.731 2.956 325 HB3 LEU 41 HB3 LEU 41 1.381 -0.479 4.223 326 HG LEU 41 HG LEU 41 2.895 2.129 4.277 327 HD11 LEU 41 HD11 LEU 41 0.570 2.432 4.734 328 HD12 LEU 41 HD12 LEU 41 1.443 2.520 6.265 329 HD13 LEU 41 HD13 LEU 41 0.554 1.057 5.839 330 HD21 LEU 41 HD21 LEU 41 4.353 1.070 5.600 331 HD22 LEU 41 HD22 LEU 41 3.317 -0.347 5.763 332 HD23 LEU 41 HD23 LEU 41 3.057 1.058 6.796 333 H LEU 42 H LEU 42 2.708 -0.889 0.645 334 HA LEU 42 HA LEU 42 1.323 -3.372 0.932 335 HB2 LEU 42 HB2 LEU 42 1.805 -1.461 -1.158 336 HB3 LEU 42 HB3 LEU 42 2.169 -3.070 -1.746 337 HG LEU 42 HG LEU 42 -0.185 -2.247 -2.147 338 HD11 LEU 42 HD11 LEU 42 0.022 -4.504 -2.491 339 HD12 LEU 42 HD12 LEU 42 -1.165 -4.474 -1.187 340 HD13 LEU 42 HD13 LEU 42 0.527 -4.822 -0.832 341 HD21 LEU 42 HD21 LEU 42 -0.602 -2.883 0.762 342 HD22 LEU 42 HD22 LEU 42 -1.752 -2.194 -0.384 343 HD23 LEU 42 HD23 LEU 42 -0.376 -1.239 0.166 344 H ILE 43 H ILE 43 4.600 -2.391 0.440 345 HA ILE 43 HA ILE 43 5.627 -4.778 -0.663 346 HB ILE 43 HB ILE 43 7.142 -2.947 1.195 347 HG12 ILE 43 HG12 ILE 43 6.120 -1.507 -0.435 348 HG13 ILE 43 HG13 ILE 43 7.806 -1.719 -0.891 349 HG21 ILE 43 HG21 ILE 43 9.064 -3.635 -0.179 350 HG22 ILE 43 HG22 ILE 43 8.005 -4.709 -1.094 351 HG23 ILE 43 HG23 ILE 43 8.288 -5.000 0.623 352 HD11 ILE 43 HD11 ILE 43 7.224 -3.209 -2.645 353 HD12 ILE 43 HD12 ILE 43 6.173 -1.798 -2.775 354 HD13 ILE 43 HD13 ILE 43 5.552 -3.301 -2.093 355 H ASN 44 H ASN 44 4.827 -3.796 2.597 356 HA ASN 44 HA ASN 44 6.020 -6.204 3.721 357 HB2 ASN 44 HB2 ASN 44 4.813 -3.723 4.893 358 HB3 ASN 44 HB3 ASN 44 5.027 -5.161 5.887 359 HD21 ASN 44 HD21 ASN 44 6.380 -2.322 5.115 360 HD22 ASN 44 HD22 ASN 44 8.044 -2.682 5.404 361 H LYS 45 H LYS 45 2.888 -4.680 3.345 362 HA LYS 45 HA LYS 45 0.750 -5.449 3.523 363 HB2 LYS 45 HB2 LYS 45 2.260 -7.765 2.377 364 HB3 LYS 45 HB3 LYS 45 0.561 -7.958 2.785 365 HG2 LYS 45 HG2 LYS 45 1.050 -5.541 1.260 366 HG3 LYS 45 HG3 LYS 45 1.583 -6.993 0.411 367 HD2 LYS 45 HD2 LYS 45 -0.641 -6.777 -0.242 368 HD3 LYS 45 HD3 LYS 45 -0.718 -7.954 1.071 369 HE2 LYS 45 HE2 LYS 45 -1.092 -5.841 2.556 370 HE3 LYS 45 HE3 LYS 45 -1.568 -5.090 1.033 371 HZ1 LYS 45 HZ1 LYS 45 -2.901 -7.182 2.571 372 HZ2 LYS 45 HZ2 LYS 45 -3.000 -7.289 0.886 373 HZ3 LYS 45 HZ3 LYS 45 -3.564 -5.905 1.679 374 H GLY 46 H GLY 46 0.551 -5.211 5.775 375 HA2 GLY 46 HA2 GLY 46 -0.177 -6.028 7.808 376 HA3 GLY 46 HA3 GLY 46 -0.039 -7.653 7.154 377 H GLN 47 H GLN 47 1.686 -5.034 8.722 378 HA GLN 47 HA GLN 47 3.406 -6.936 10.044 379 HB2 GLN 47 HB2 GLN 47 4.319 -5.517 7.711 380 HB3 GLN 47 HB3 GLN 47 5.241 -5.003 9.117 381 HG2 GLN 47 HG2 GLN 47 4.846 -7.871 8.303 382 HG3 GLN 47 HG3 GLN 47 6.249 -6.893 7.875 383 HE21 GLN 47 HE21 GLN 47 5.660 -9.328 9.665 384 HE22 GLN 47 HE22 GLN 47 6.513 -8.959 11.122 385 H LEU 48 H LEU 48 4.949 -5.740 11.562 386 HA LEU 48 HA LEU 48 3.447 -3.533 12.777 387 HB2 LEU 48 HB2 LEU 48 4.267 -5.795 13.936 388 HB3 LEU 48 HB3 LEU 48 5.710 -4.833 14.196 389 HG LEU 48 HG LEU 48 4.339 -4.663 16.149 390 HD11 LEU 48 HD11 LEU 48 4.420 -2.401 16.423 391 HD12 LEU 48 HD12 LEU 48 3.704 -2.070 14.846 392 HD13 LEU 48 HD13 LEU 48 5.395 -2.555 14.962 393 HD21 LEU 48 HD21 LEU 48 2.155 -4.110 14.179 394 HD22 LEU 48 HD22 LEU 48 2.033 -3.536 15.842 395 HD23 LEU 48 HD23 LEU 48 2.190 -5.262 15.514 396 H CYS 49 H CYS 49 4.398 -2.140 11.049 397 HA CYS 49 HA CYS 49 7.173 -1.369 11.639 398 HB2 CYS 49 HB2 CYS 49 5.600 -0.384 9.272 399 HB3 CYS 49 HB3 CYS 49 7.345 -0.484 9.469 400 HG CYS 49 HG CYS 49 7.065 -2.514 8.107 401 H LEU 50 H LEU 50 7.186 0.121 13.192 402 HA LEU 50 HA LEU 50 5.174 1.859 13.927 403 HB2 LEU 50 HB2 LEU 50 8.009 2.773 14.153 404 HB3 LEU 50 HB3 LEU 50 6.697 2.938 15.300 405 HG LEU 50 HG LEU 50 8.007 1.400 16.374 406 HD11 LEU 50 HD11 LEU 50 6.889 -0.872 14.972 407 HD12 LEU 50 HD12 LEU 50 5.683 0.377 15.272 408 HD13 LEU 50 HD13 LEU 50 6.600 -0.301 16.615 409 HD21 LEU 50 HD21 LEU 50 9.828 0.813 15.228 410 HD22 LEU 50 HD22 LEU 50 8.977 0.834 13.683 411 HD23 LEU 50 HD23 LEU 50 8.891 -0.591 14.719 412 H ARG 51 H ARG 51 4.851 4.114 13.618 413 HA ARG 51 HA ARG 51 4.907 4.935 10.945 414 HB2 ARG 51 HB2 ARG 51 3.346 5.783 12.718 415 HB3 ARG 51 HB3 ARG 51 4.677 6.735 13.359 416 HG2 ARG 51 HG2 ARG 51 4.444 7.246 10.564 417 HG3 ARG 51 HG3 ARG 51 2.858 7.420 11.316 418 HD2 ARG 51 HD2 ARG 51 3.498 9.457 11.947 419 HD3 ARG 51 HD3 ARG 51 4.596 8.673 13.082 420 HE ARG 51 HE ARG 51 6.012 8.724 10.775 421 HH11 ARG 51 HH11 ARG 51 4.324 11.169 12.605 422 HH12 ARG 51 HH12 ARG 51 5.383 12.447 12.112 423 HH21 ARG 51 HH21 ARG 51 7.407 10.405 10.125 424 HH22 ARG 51 HH22 ARG 51 7.133 12.014 10.704 425 H LYS 52 H LYS 52 7.262 5.196 13.439 426 HA LYS 52 HA LYS 52 8.739 7.369 12.452 427 HB2 LYS 52 HB2 LYS 52 8.931 5.766 14.651 428 HB3 LYS 52 HB3 LYS 52 10.293 5.201 13.694 429 HG2 LYS 52 HG2 LYS 52 11.218 7.426 13.616 430 HG3 LYS 52 HG3 LYS 52 9.805 8.073 14.454 431 HD2 LYS 52 HD2 LYS 52 10.425 7.170 16.478 432 HD3 LYS 52 HD3 LYS 52 11.363 5.875 15.732 433 HE2 LYS 52 HE2 LYS 52 13.197 7.236 15.367 434 HE3 LYS 52 HE3 LYS 52 12.237 8.714 15.417 435 HZ1 LYS 52 HZ1 LYS 52 13.737 8.166 17.399 436 HZ2 LYS 52 HZ2 LYS 52 12.552 7.037 17.825 437 HZ3 LYS 52 HZ3 LYS 52 12.156 8.678 17.719 438 H HIS 53 H HIS 53 9.655 3.972 12.232 439 HA HIS 53 HA HIS 53 11.583 4.253 10.272 440 HB2 HIS 53 HB2 HIS 53 11.295 2.166 11.492 441 HB3 HIS 53 HB3 HIS 53 9.719 1.925 10.748 442 HD1 HIS 53 HD1 HIS 53 13.384 2.049 9.790 443 HD2 HIS 53 HD2 HIS 53 9.771 0.547 8.390 444 HE1 HIS 53 HE1 HIS 53 13.973 0.627 7.802 445 HE2 HIS 53 HE2 HIS 53 11.779 -0.331 7.016 446 H LEU 54 H LEU 54 8.141 4.317 9.979 447 HA LEU 54 HA LEU 54 7.949 3.801 7.210 448 HB2 LEU 54 HB2 LEU 54 6.200 4.681 9.336 449 HB3 LEU 54 HB3 LEU 54 5.905 5.608 7.877 450 HG LEU 54 HG LEU 54 5.844 2.594 8.051 451 HD11 LEU 54 HD11 LEU 54 3.611 2.662 8.378 452 HD12 LEU 54 HD12 LEU 54 3.411 4.157 7.464 453 HD13 LEU 54 HD13 LEU 54 3.996 4.212 9.127 454 HD21 LEU 54 HD21 LEU 54 6.255 2.865 5.843 455 HD22 LEU 54 HD22 LEU 54 5.683 4.533 5.827 456 HD23 LEU 54 HD23 LEU 54 4.525 3.203 5.801 457 H LEU 55 H LEU 55 8.960 6.538 9.051 458 HA LEU 55 HA LEU 55 8.571 8.466 6.982 459 HB2 LEU 55 HB2 LEU 55 9.339 10.016 8.455 460 HB3 LEU 55 HB3 LEU 55 8.830 8.768 9.564 461 HG LEU 55 HG LEU 55 11.507 9.891 9.076 462 HD11 LEU 55 HD11 LEU 55 11.694 9.726 11.367 463 HD12 LEU 55 HD12 LEU 55 10.610 8.337 11.462 464 HD13 LEU 55 HD13 LEU 55 9.958 9.947 11.150 465 HD21 LEU 55 HD21 LEU 55 12.328 7.552 10.127 466 HD22 LEU 55 HD22 LEU 55 12.436 7.945 8.413 467 HD23 LEU 55 HD23 LEU 55 11.096 6.972 9.011 468 H GLU 56 H GLU 56 10.813 5.977 7.362 469 HA GLU 56 HA GLU 56 12.945 7.359 5.947 470 HB2 GLU 56 HB2 GLU 56 12.690 4.879 7.497 471 HB3 GLU 56 HB3 GLU 56 13.709 4.725 6.073 472 HG2 GLU 56 HG2 GLU 56 14.103 6.983 7.992 473 HG3 GLU 56 HG3 GLU 56 14.778 5.388 8.319 474 H GLU 57 H GLU 57 10.263 5.333 5.261 475 HA GLU 57 HA GLU 57 11.322 4.533 2.670 476 HB2 GLU 57 HB2 GLU 57 8.528 4.012 3.662 477 HB3 GLU 57 HB3 GLU 57 9.443 3.105 2.468 478 HG2 GLU 57 HG2 GLU 57 10.156 3.243 5.386 479 HG3 GLU 57 HG3 GLU 57 9.182 1.965 4.660 480 H ILE 58 H ILE 58 9.047 6.730 4.074 481 HA ILE 58 HA ILE 58 8.032 7.579 1.502 482 HB ILE 58 HB ILE 58 7.565 9.071 4.064 483 HG12 ILE 58 HG12 ILE 58 7.125 6.415 4.057 484 HG13 ILE 58 HG13 ILE 58 6.087 7.544 4.909 485 HG21 ILE 58 HG21 ILE 58 5.837 8.604 1.637 486 HG22 ILE 58 HG22 ILE 58 6.812 10.042 1.939 487 HG23 ILE 58 HG23 ILE 58 5.461 9.654 3.004 488 HD11 ILE 58 HD11 ILE 58 4.389 7.347 3.363 489 HD12 ILE 58 HD12 ILE 58 5.050 5.712 3.409 490 HD13 ILE 58 HD13 ILE 58 5.475 6.797 2.086 491 H LYS 59 H LYS 59 10.592 8.319 3.650 492 HA LYS 59 HA LYS 59 11.026 11.011 2.737 493 HB2 LYS 59 HB2 LYS 59 11.797 10.497 4.943 494 HB3 LYS 59 HB3 LYS 59 12.696 9.098 4.373 495 HG2 LYS 59 HG2 LYS 59 14.327 10.463 3.329 496 HG3 LYS 59 HG3 LYS 59 13.345 11.914 3.544 497 HD2 LYS 59 HD2 LYS 59 14.581 10.269 5.753 498 HD3 LYS 59 HD3 LYS 59 15.174 11.825 5.167 499 HE2 LYS 59 HE2 LYS 59 13.904 12.737 6.760 500 HE3 LYS 59 HE3 LYS 59 12.531 12.342 5.726 501 HZ1 LYS 59 HZ1 LYS 59 12.521 11.564 8.161 502 HZ2 LYS 59 HZ2 LYS 59 13.579 10.354 7.634 503 HZ3 LYS 59 HZ3 LYS 59 12.031 10.473 6.964 504 H ASN 60 H ASN 60 12.387 7.793 2.082 505 HA ASN 60 HA ASN 60 14.415 8.611 0.317 506 HB2 ASN 60 HB2 ASN 60 14.034 6.276 1.289 507 HB3 ASN 60 HB3 ASN 60 12.825 6.058 0.026 508 HD21 ASN 60 HD21 ASN 60 16.223 6.789 0.596 509 HD22 ASN 60 HD22 ASN 60 16.801 6.136 -0.895 510 H HIS 61 H HIS 61 11.008 8.440 0.029 511 HA HIS 61 HA HIS 61 11.117 8.994 -2.831 512 HB2 HIS 61 HB2 HIS 61 9.773 6.993 -1.912 513 HB3 HIS 61 HB3 HIS 61 8.650 8.200 -1.302 514 HD1 HIS 61 HD1 HIS 61 9.342 9.910 -4.109 515 HD2 HIS 61 HD2 HIS 61 7.596 6.172 -3.611 516 HE1 HIS 61 HE1 HIS 61 8.015 9.502 -6.206 517 HE2 HIS 61 HE2 HIS 61 7.029 7.202 -5.914 518 H ALA 62 H ALA 62 11.752 10.959 -0.930 519 HA ALA 62 HA ALA 62 11.387 13.214 -0.734 520 HB1 ALA 62 HB1 ALA 62 9.570 14.337 -1.756 521 HB2 ALA 62 HB2 ALA 62 8.616 12.856 -1.855 522 HB3 ALA 62 HB3 ALA 62 10.047 13.051 -2.868 523 H LYS 63 H LYS 63 11.334 13.583 1.379 524 HA LYS 63 HA LYS 63 9.189 12.543 3.031 525 HB2 LYS 63 HB2 LYS 63 10.499 13.662 4.882 526 HB3 LYS 63 HB3 LYS 63 11.356 12.401 4.008 527 HG2 LYS 63 HG2 LYS 63 12.896 13.822 3.206 528 HG3 LYS 63 HG3 LYS 63 11.717 15.107 2.933 529 HD2 LYS 63 HD2 LYS 63 11.782 15.760 5.223 530 HD3 LYS 63 HD3 LYS 63 12.715 14.330 5.667 531 HE2 LYS 63 HE2 LYS 63 13.842 16.186 3.632 532 HE3 LYS 63 HE3 LYS 63 13.865 16.684 5.323 533 HZ1 LYS 63 HZ1 LYS 63 15.781 15.232 4.201 534 HZ2 LYS 63 HZ2 LYS 63 14.794 13.986 4.777 535 HZ3 LYS 63 HZ3 LYS 63 15.402 15.145 5.848 536 H ALA 64 H ALA 64 8.088 14.247 1.244 537 HA ALA 64 HA ALA 64 6.798 16.102 1.000 538 HB1 ALA 64 HB1 ALA 64 6.619 15.349 3.826 539 HB2 ALA 64 HB2 ALA 64 5.345 15.697 2.658 540 HB3 ALA 64 HB3 ALA 64 6.167 17.020 3.486 541 H ILE 65 H ILE 65 8.466 17.371 0.081 542 HA ILE 65 HA ILE 65 9.984 19.105 1.858 543 HB ILE 65 HB ILE 65 11.117 18.040 -0.071 544 HG12 ILE 65 HG12 ILE 65 11.248 20.905 -0.784 545 HG13 ILE 65 HG13 ILE 65 11.481 20.539 0.923 546 HG21 ILE 65 HG21 ILE 65 9.261 19.780 -1.683 547 HG22 ILE 65 HG22 ILE 65 9.359 18.019 -1.694 548 HG23 ILE 65 HG23 ILE 65 10.691 18.980 -2.336 549 HD11 ILE 65 HD11 ILE 65 13.082 19.489 -1.394 550 HD12 ILE 65 HD12 ILE 65 13.259 18.937 0.272 551 HD13 ILE 65 HD13 ILE 65 13.612 20.614 -0.144 552 H VAL 66 H VAL 66 7.147 19.424 1.703 553 HA VAL 66 HA VAL 66 7.061 22.266 1.242 554 HB VAL 66 HB VAL 66 6.564 21.388 -1.013 555 HG11 VAL 66 HG11 VAL 66 3.983 20.285 0.022 556 HG12 VAL 66 HG12 VAL 66 5.437 19.287 0.000 557 HG13 VAL 66 HG13 VAL 66 4.807 19.961 -1.503 558 HG21 VAL 66 HG21 VAL 66 5.445 23.311 -1.105 559 HG22 VAL 66 HG22 VAL 66 4.877 23.138 0.556 560 HG23 VAL 66 HG23 VAL 66 3.981 22.388 -0.764 561 H ALA 67 H ALA 67 6.826 20.761 3.571 562 HA ALA 67 HA ALA 67 5.541 20.537 5.437 563 HB1 ALA 67 HB1 ALA 67 3.341 22.059 5.256 564 HB2 ALA 67 HB2 ALA 67 4.307 22.789 3.975 565 HB3 ALA 67 HB3 ALA 67 4.938 22.711 5.620 566 H ARG 68 H ARG 68 5.158 18.322 4.704 567 HA ARG 68 HA ARG 68 2.345 17.736 4.640 568 HB2 ARG 68 HB2 ARG 68 4.066 17.349 2.221 569 HB3 ARG 68 HB3 ARG 68 2.773 16.204 2.553 570 HG2 ARG 68 HG2 ARG 68 1.506 18.612 2.839 571 HG3 ARG 68 HG3 ARG 68 2.650 18.934 1.535 572 HD2 ARG 68 HD2 ARG 68 1.813 16.935 0.352 573 HD3 ARG 68 HD3 ARG 68 0.627 16.698 1.635 574 HE ARG 68 HE ARG 68 0.452 18.530 -0.538 575 HH11 ARG 68 HH11 ARG 68 -0.426 18.086 2.810 576 HH12 ARG 68 HH12 ARG 68 -1.795 19.142 2.721 577 HH21 ARG 68 HH21 ARG 68 -1.349 19.918 -0.658 578 HH22 ARG 68 HH22 ARG 68 -2.320 20.182 0.751 579 H ASN 69 H ASN 69 3.875 17.079 6.660 580 HA ASN 69 HA ASN 69 5.518 14.943 6.784 581 HB2 ASN 69 HB2 ASN 69 3.168 15.288 8.656 582 HB3 ASN 69 HB3 ASN 69 4.697 14.489 9.012 583 HD21 ASN 69 HD21 ASN 69 3.038 17.491 8.706 584 HD22 ASN 69 HD22 ASN 69 4.313 18.502 9.287 585 H VAL 70 H VAL 70 5.326 12.671 6.995 586 HA VAL 70 HA VAL 70 3.626 11.453 5.165 587 HB VAL 70 HB VAL 70 5.770 10.479 6.008 588 HG11 VAL 70 HG11 VAL 70 5.940 9.357 8.039 589 HG12 VAL 70 HG12 VAL 70 4.191 9.307 8.270 590 HG13 VAL 70 HG13 VAL 70 5.064 10.829 8.461 591 HG21 VAL 70 HG21 VAL 70 3.233 8.974 5.692 592 HG22 VAL 70 HG22 VAL 70 4.668 8.086 6.204 593 HG23 VAL 70 HG23 VAL 70 4.680 8.980 4.684 594 H ASP 71 H ASP 71 3.105 12.204 8.498 595 HA ASP 71 HA ASP 71 1.004 10.391 9.006 596 HB2 ASP 71 HB2 ASP 71 2.400 12.113 10.557 597 HB3 ASP 71 HB3 ASP 71 0.895 13.008 10.370 598 H VAL 72 H VAL 72 0.872 13.842 8.300 599 HA VAL 72 HA VAL 72 -1.903 13.991 7.950 600 HB VAL 72 HB VAL 72 0.118 15.721 6.524 601 HG11 VAL 72 HG11 VAL 72 -2.754 16.117 7.332 602 HG12 VAL 72 HG12 VAL 72 -2.073 16.125 5.705 603 HG13 VAL 72 HG13 VAL 72 -1.699 17.436 6.824 604 HG21 VAL 72 HG21 VAL 72 -0.322 17.226 8.589 605 HG22 VAL 72 HG22 VAL 72 0.837 15.903 8.720 606 HG23 VAL 72 HG23 VAL 72 -0.790 15.718 9.375 607 H HIS 73 H HIS 73 0.572 12.741 5.934 608 HA HIS 73 HA HIS 73 -0.828 12.958 3.456 609 HB2 HIS 73 HB2 HIS 73 1.719 11.872 4.391 610 HB3 HIS 73 HB3 HIS 73 0.971 10.880 3.143 611 HD1 HIS 73 HD1 HIS 73 3.583 12.410 2.590 612 HD2 HIS 73 HD2 HIS 73 -0.209 13.873 1.728 613 HE1 HIS 73 HE1 HIS 73 3.919 14.122 0.779 614 HE2 HIS 73 HE2 HIS 73 1.600 14.928 0.211 615 H ILE 74 H ILE 74 -0.837 10.747 6.111 616 HA ILE 74 HA ILE 74 -1.936 8.519 4.725 617 HB ILE 74 HB ILE 74 -2.359 9.032 7.654 618 HG12 ILE 74 HG12 ILE 74 -0.029 9.453 7.397 619 HG13 ILE 74 HG13 ILE 74 -0.170 7.800 7.983 620 HG21 ILE 74 HG21 ILE 74 -2.306 6.649 5.862 621 HG22 ILE 74 HG22 ILE 74 -3.478 7.101 7.100 622 HG23 ILE 74 HG23 ILE 74 -1.901 6.466 7.569 623 HD11 ILE 74 HD11 ILE 74 1.519 8.086 6.209 624 HD12 ILE 74 HD12 ILE 74 0.231 8.556 5.099 625 HD13 ILE 74 HD13 ILE 74 0.253 6.932 5.787 626 H ALA 75 H ALA 75 -3.269 11.343 6.250 627 HA ALA 75 HA ALA 75 -5.957 10.410 6.299 628 HB1 ALA 75 HB1 ALA 75 -5.236 12.144 7.838 629 HB2 ALA 75 HB2 ALA 75 -6.545 12.739 6.816 630 HB3 ALA 75 HB3 ALA 75 -4.880 13.216 6.483 631 H SER 76 H SER 76 -4.032 12.306 4.092 632 HA SER 76 HA SER 76 -6.181 12.972 2.346 633 HB2 SER 76 HB2 SER 76 -3.238 13.274 2.329 634 HB3 SER 76 HB3 SER 76 -4.001 13.181 0.742 635 HG SER 76 HG SER 76 -4.988 15.043 1.086 636 H LEU 77 H LEU 77 -4.057 10.267 2.702 637 HA LEU 77 HA LEU 77 -4.442 9.122 0.154 638 HB2 LEU 77 HB2 LEU 77 -2.628 8.365 1.565 639 HB3 LEU 77 HB3 LEU 77 -3.760 7.854 2.803 640 HG LEU 77 HG LEU 77 -4.596 6.082 1.378 641 HD11 LEU 77 HD11 LEU 77 -2.939 7.460 -0.673 642 HD12 LEU 77 HD12 LEU 77 -4.557 6.774 -0.802 643 HD13 LEU 77 HD13 LEU 77 -3.149 5.713 -0.780 644 HD21 LEU 77 HD21 LEU 77 -2.117 6.153 2.556 645 HD22 LEU 77 HD22 LEU 77 -1.765 5.565 0.931 646 HD23 LEU 77 HD23 LEU 77 -2.929 4.712 1.945 647 H ARG 78 H ARG 78 -6.191 9.011 3.161 648 HA ARG 78 HA ARG 78 -7.953 6.917 2.611 649 HB2 ARG 78 HB2 ARG 78 -7.721 7.961 4.829 650 HB3 ARG 78 HB3 ARG 78 -8.480 9.424 4.216 651 HG2 ARG 78 HG2 ARG 78 -10.138 7.130 3.695 652 HG3 ARG 78 HG3 ARG 78 -9.727 7.234 5.408 653 HD2 ARG 78 HD2 ARG 78 -10.383 9.709 5.207 654 HD3 ARG 78 HD3 ARG 78 -11.146 9.242 3.688 655 HE ARG 78 HE ARG 78 -11.935 7.596 5.899 656 HH11 ARG 78 HH11 ARG 78 -12.554 10.597 4.229 657 HH12 ARG 78 HH12 ARG 78 -14.195 10.706 4.772 658 HH21 ARG 78 HH21 ARG 78 -14.093 7.736 6.613 659 HH22 ARG 78 HH22 ARG 78 -15.069 9.081 6.126 660 H LYS 79 H LYS 79 -7.766 10.084 1.290 661 HA LYS 79 HA LYS 79 -10.505 10.134 0.387 662 HB2 LYS 79 HB2 LYS 79 -8.810 12.120 0.939 663 HB3 LYS 79 HB3 LYS 79 -8.491 11.969 -0.783 664 HG2 LYS 79 HG2 LYS 79 -11.233 11.964 -0.674 665 HG3 LYS 79 HG3 LYS 79 -10.788 13.095 0.604 666 HD2 LYS 79 HD2 LYS 79 -10.430 14.654 -0.941 667 HD3 LYS 79 HD3 LYS 79 -9.126 13.668 -1.604 668 HE2 LYS 79 HE2 LYS 79 -11.074 12.402 -2.793 669 HE3 LYS 79 HE3 LYS 79 -11.978 13.881 -2.472 670 HZ1 LYS 79 HZ1 LYS 79 -10.755 13.699 -4.678 671 HZ2 LYS 79 HZ2 LYS 79 -9.336 13.951 -3.793 672 HZ3 LYS 79 HZ3 LYS 79 -10.549 15.129 -3.797 673 H LYS 80 H LYS 80 -7.344 9.669 -1.055 674 HA LYS 80 HA LYS 80 -8.440 9.196 -3.661 675 HB2 LYS 80 HB2 LYS 80 -5.687 9.239 -2.510 676 HB3 LYS 80 HB3 LYS 80 -5.955 8.492 -4.078 677 HG2 LYS 80 HG2 LYS 80 -5.424 10.611 -4.723 678 HG3 LYS 80 HG3 LYS 80 -7.177 10.760 -4.589 679 HD2 LYS 80 HD2 LYS 80 -6.318 11.313 -2.036 680 HD3 LYS 80 HD3 LYS 80 -5.060 12.040 -3.038 681 HE2 LYS 80 HE2 LYS 80 -8.023 12.531 -3.325 682 HE3 LYS 80 HE3 LYS 80 -6.886 13.612 -2.521 683 HZ1 LYS 80 HZ1 LYS 80 -7.562 13.831 -5.081 684 HZ2 LYS 80 HZ2 LYS 80 -6.199 12.842 -5.235 685 HZ3 LYS 80 HZ3 LYS 80 -6.070 14.345 -4.470 686 H LEU 81 H LEU 81 -6.704 7.288 -1.280 687 HA LEU 81 HA LEU 81 -6.992 4.819 -2.656 688 HB2 LEU 81 HB2 LEU 81 -5.191 4.926 -1.173 689 HB3 LEU 81 HB3 LEU 81 -6.165 5.603 0.114 690 HG LEU 81 HG LEU 81 -7.296 3.395 0.353 691 HD11 LEU 81 HD11 LEU 81 -5.849 1.485 -0.655 692 HD12 LEU 81 HD12 LEU 81 -5.379 2.712 -1.832 693 HD13 LEU 81 HD13 LEU 81 -7.076 2.271 -1.649 694 HD21 LEU 81 HD21 LEU 81 -5.523 2.398 1.596 695 HD22 LEU 81 HD22 LEU 81 -5.338 4.147 1.720 696 HD23 LEU 81 HD23 LEU 81 -4.303 3.226 0.631 697 H GLY 82 H GLY 82 -8.435 5.812 0.466 698 HA2 GLY 82 HA2 GLY 82 -10.952 5.709 0.490 699 HA3 GLY 82 HA3 GLY 82 -10.756 4.117 -0.224 700 H ALA 83 H ALA 83 -11.887 3.147 1.486 701 HA ALA 83 HA ALA 83 -11.358 3.456 4.200 702 HB1 ALA 83 HB1 ALA 83 -12.336 1.121 4.395 703 HB2 ALA 83 HB2 ALA 83 -12.471 1.147 2.636 704 HB3 ALA 83 HB3 ALA 83 -13.340 2.338 3.605 705 H TYR 84 H TYR 84 -9.528 1.859 1.786 706 HA TYR 84 HA TYR 84 -8.147 -0.007 3.381 707 HB2 TYR 84 HB2 TYR 84 -7.016 1.344 0.935 708 HB3 TYR 84 HB3 TYR 84 -6.668 -0.271 1.541 709 HD1 TYR 84 HD1 TYR 84 -8.568 -1.989 1.484 710 HD2 TYR 84 HD2 TYR 84 -8.684 1.678 -0.671 711 HE1 TYR 84 HE1 TYR 84 -10.302 -2.917 0.008 712 HE2 TYR 84 HE2 TYR 84 -10.419 0.760 -2.152 713 HH TYR 84 HH TYR 84 -12.094 -0.975 -2.173 714 H GLY 85 H GLY 85 -7.774 3.418 2.816 715 HA2 GLY 85 HA2 GLY 85 -5.136 3.790 3.669 716 HA3 GLY 85 HA3 GLY 85 -6.422 4.978 3.832 717 H SER 86 H SER 86 -8.063 3.184 5.458 718 HA SER 86 HA SER 86 -6.992 3.880 8.014 719 HB2 SER 86 HB2 SER 86 -9.151 1.964 8.176 720 HB3 SER 86 HB3 SER 86 -9.133 3.660 8.655 721 HG SER 86 HG SER 86 -10.016 2.482 6.298 722 H ARG 87 H ARG 87 -6.619 1.233 5.906 723 HA ARG 87 HA ARG 87 -6.395 -0.993 7.484 724 HB2 ARG 87 HB2 ARG 87 -6.049 -1.096 5.091 725 HB3 ARG 87 HB3 ARG 87 -4.591 -0.123 5.220 726 HG2 ARG 87 HG2 ARG 87 -3.413 -1.878 6.302 727 HG3 ARG 87 HG3 ARG 87 -4.888 -2.824 6.505 728 HD2 ARG 87 HD2 ARG 87 -4.615 -3.759 4.507 729 HD3 ARG 87 HD3 ARG 87 -4.529 -2.177 3.736 730 HE ARG 87 HE ARG 87 -2.330 -3.900 4.421 731 HH11 ARG 87 HH11 ARG 87 -3.299 -0.616 3.746 732 HH12 ARG 87 HH12 ARG 87 -1.712 -0.113 3.272 733 HH21 ARG 87 HH21 ARG 87 -0.241 -3.239 3.801 734 HH22 ARG 87 HH22 ARG 87 0.024 -1.602 3.302 735 H ILE 88 H ILE 88 -4.238 1.751 7.333 736 HA ILE 88 HA ILE 88 -2.106 0.530 8.813 737 HB ILE 88 HB ILE 88 -2.407 3.487 8.897 738 HG12 ILE 88 HG12 ILE 88 -3.150 3.185 6.650 739 HG13 ILE 88 HG13 ILE 88 -1.451 3.625 6.555 740 HG21 ILE 88 HG21 ILE 88 0.017 2.102 7.909 741 HG22 ILE 88 HG22 ILE 88 -0.426 1.861 9.598 742 HG23 ILE 88 HG23 ILE 88 -0.138 3.490 8.985 743 HD11 ILE 88 HD11 ILE 88 -1.285 0.924 6.609 744 HD12 ILE 88 HD12 ILE 88 -1.331 1.900 5.142 745 HD13 ILE 88 HD13 ILE 88 -2.810 1.161 5.756 746 H VAL 89 H VAL 89 -2.483 -0.180 10.831 747 HA VAL 89 HA VAL 89 -4.331 1.241 12.567 748 HB VAL 89 HB VAL 89 -2.736 -1.235 13.211 749 HG11 VAL 89 HG11 VAL 89 -3.673 -0.089 15.142 750 HG12 VAL 89 HG12 VAL 89 -4.490 -1.627 14.861 751 HG13 VAL 89 HG13 VAL 89 -5.270 -0.115 14.395 752 HG21 VAL 89 HG21 VAL 89 -4.183 -1.417 11.141 753 HG22 VAL 89 HG22 VAL 89 -5.570 -1.170 12.202 754 HG23 VAL 89 HG23 VAL 89 -4.524 -2.572 12.430 755 H THR 90 H THR 90 -3.587 2.953 13.632 756 HA THR 90 HA THR 90 -0.814 3.005 14.562 757 HB THR 90 HB THR 90 -1.424 5.014 13.453 758 HG1 THR 90 HG1 THR 90 -1.216 6.529 15.108 759 HG21 THR 90 HG21 THR 90 -3.945 4.858 15.038 760 HG22 THR 90 HG22 THR 90 -3.719 5.131 13.310 761 HG23 THR 90 HG23 THR 90 -3.346 6.414 14.462 762 H LEU 91 H LEU 91 -0.321 2.486 16.589 763 HA LEU 91 HA LEU 91 -2.383 2.812 18.665 764 HB2 LEU 91 HB2 LEU 91 -1.020 0.397 17.800 765 HB3 LEU 91 HB3 LEU 91 -0.784 0.696 19.511 766 HG LEU 91 HG LEU 91 -3.358 0.983 19.591 767 HD11 LEU 91 HD11 LEU 91 -4.623 -0.091 17.911 768 HD12 LEU 91 HD12 LEU 91 -3.179 -0.734 17.130 769 HD13 LEU 91 HD13 LEU 91 -3.517 0.996 17.072 770 HD21 LEU 91 HD21 LEU 91 -1.751 -1.510 19.403 771 HD22 LEU 91 HD22 LEU 91 -3.507 -1.652 19.486 772 HD23 LEU 91 HD23 LEU 91 -2.627 -0.828 20.773 773 H ARG 92 H ARG 92 -1.706 3.546 20.642 774 HA ARG 92 HA ARG 92 0.920 4.768 20.708 775 HB2 ARG 92 HB2 ARG 92 -1.413 4.862 22.626 776 HB3 ARG 92 HB3 ARG 92 0.101 5.716 22.888 777 HG2 ARG 92 HG2 ARG 92 -1.841 6.142 20.628 778 HG3 ARG 92 HG3 ARG 92 -1.531 7.228 21.984 779 HD2 ARG 92 HD2 ARG 92 0.970 6.746 20.830 780 HD3 ARG 92 HD3 ARG 92 -0.134 6.977 19.474 781 HE ARG 92 HE ARG 92 -0.360 9.184 20.065 782 HH11 ARG 92 HH11 ARG 92 1.214 7.456 22.658 783 HH12 ARG 92 HH12 ARG 92 1.624 8.893 23.533 784 HH21 ARG 92 HH21 ARG 92 0.177 11.073 21.217 785 HH22 ARG 92 HH22 ARG 92 1.035 10.946 22.716 786 H GLY 93 H GLY 93 1.883 2.536 20.680 787 HA2 GLY 93 HA2 GLY 93 3.173 1.926 23.017 788 HA3 GLY 93 HA3 GLY 93 1.719 0.939 23.056 789 H VAL 94 H VAL 94 1.494 0.374 20.321 790 HA VAL 94 HA VAL 94 3.684 -1.545 20.031 791 HB VAL 94 HB VAL 94 1.315 -1.466 18.198 792 HG11 VAL 94 HG11 VAL 94 1.687 -3.976 18.390 793 HG12 VAL 94 HG12 VAL 94 3.191 -3.576 19.221 794 HG13 VAL 94 HG13 VAL 94 2.933 -3.044 17.560 795 HG21 VAL 94 HG21 VAL 94 0.430 -1.301 20.507 796 HG22 VAL 94 HG22 VAL 94 1.290 -2.787 20.909 797 HG23 VAL 94 HG23 VAL 94 0.002 -2.811 19.704 798 H GLY 95 H GLY 95 2.047 1.060 18.298 799 HA2 GLY 95 HA2 GLY 95 3.611 2.541 17.042 800 HA3 GLY 95 HA3 GLY 95 4.279 1.067 16.362 801 H TYR 96 H TYR 96 3.650 0.693 14.356 802 HA TYR 96 HA TYR 96 0.919 1.471 13.583 803 HB2 TYR 96 HB2 TYR 96 3.330 2.511 12.568 804 HB3 TYR 96 HB3 TYR 96 2.720 1.432 11.322 805 HD1 TYR 96 HD1 TYR 96 -0.274 1.953 12.116 806 HD2 TYR 96 HD2 TYR 96 3.015 4.501 11.238 807 HE1 TYR 96 HE1 TYR 96 -1.835 3.706 11.389 808 HE2 TYR 96 HE2 TYR 96 1.464 6.262 10.506 809 HH TYR 96 HH TYR 96 -1.221 6.744 11.179 810 H LEU 97 H LEU 97 -0.184 -0.367 13.377 811 HA LEU 97 HA LEU 97 1.130 -2.647 12.053 812 HB2 LEU 97 HB2 LEU 97 0.409 -3.062 14.370 813 HB3 LEU 97 HB3 LEU 97 -1.234 -2.641 13.932 814 HG LEU 97 HG LEU 97 -0.493 -5.150 14.114 815 HD11 LEU 97 HD11 LEU 97 -2.081 -4.428 11.683 816 HD12 LEU 97 HD12 LEU 97 -2.687 -4.085 13.303 817 HD13 LEU 97 HD13 LEU 97 -2.330 -5.746 12.828 818 HD21 LEU 97 HD21 LEU 97 0.347 -4.445 11.305 819 HD22 LEU 97 HD22 LEU 97 0.138 -6.083 11.922 820 HD23 LEU 97 HD23 LEU 97 1.388 -5.039 12.598 821 H PHE 98 H PHE 98 0.660 -1.972 9.944 822 HA PHE 98 HA PHE 98 -2.061 -1.434 9.163 823 HB2 PHE 98 HB2 PHE 98 -1.066 -1.404 6.830 824 HB3 PHE 98 HB3 PHE 98 -0.419 -0.216 7.954 825 HD1 PHE 98 HD1 PHE 98 1.839 -0.461 8.858 826 HD2 PHE 98 HD2 PHE 98 0.296 -3.172 5.963 827 HE1 PHE 98 HE1 PHE 98 4.117 -1.260 8.394 828 HE2 PHE 98 HE2 PHE 98 2.573 -3.974 5.495 829 HZ PHE 98 HZ PHE 98 4.488 -3.018 6.712 830 H SER 99 H SER 99 -3.009 -3.428 9.882 831 HA SER 99 HA SER 99 -2.579 -5.621 7.958 832 HB2 SER 99 HB2 SER 99 -1.842 -5.897 10.496 833 HB3 SER 99 HB3 SER 99 -3.556 -6.255 10.704 834 HG SER 99 HG SER 99 -1.618 -7.632 9.200 835 H ASP 100 H ASP 100 -4.331 -6.375 6.949 836 HA ASP 100 HA ASP 100 -6.979 -5.850 8.058 837 HB2 ASP 100 HB2 ASP 100 -5.875 -4.404 5.878 838 HB3 ASP 100 HB3 ASP 100 -7.132 -5.454 5.235 839 H ASP 101 H ASP 101 -5.927 -6.970 4.900 840 HA ASP 101 HA ASP 101 -7.262 -9.508 5.409 841 HB2 ASP 101 HB2 ASP 101 -6.946 -9.451 2.708 842 HB3 ASP 101 HB3 ASP 101 -8.392 -8.910 3.547 843 H GLY 102 H GLY 102 -4.741 -8.403 3.148 844 HA2 GLY 102 HA2 GLY 102 -2.446 -9.117 3.334 845 HA3 GLY 102 HA3 GLY 102 -3.009 -10.567 4.150 846 H ASP 103 H ASP 103 -4.392 -9.208 1.209 847 HA ASP 103 HA ASP 103 -4.246 -11.708 -0.129 848 HB2 ASP 103 HB2 ASP 103 -5.791 -9.488 -0.424 849 HB3 ASP 103 HB3 ASP 103 -4.685 -9.304 -1.781 850 H LYS 104 H LYS 104 -1.981 -12.174 -0.066 851 HA LYS 104 HA LYS 104 -0.086 -10.486 -1.360 852 HB2 LYS 104 HB2 LYS 104 0.192 -12.418 0.452 853 HB3 LYS 104 HB3 LYS 104 0.465 -13.386 -0.990 854 HG2 LYS 104 HG2 LYS 104 2.596 -12.767 -0.736 855 HG3 LYS 104 HG3 LYS 104 2.071 -11.256 -1.480 856 HD2 LYS 104 HD2 LYS 104 2.175 -10.101 0.472 857 HD3 LYS 104 HD3 LYS 104 1.700 -11.494 1.446 858 HE2 LYS 104 HE2 LYS 104 4.132 -12.283 0.505 859 HE3 LYS 104 HE3 LYS 104 4.367 -10.544 0.676 860 HZ1 LYS 104 HZ1 LYS 104 3.642 -10.708 2.974 861 HZ2 LYS 104 HZ2 LYS 104 4.965 -11.724 2.696 862 HZ3 LYS 104 HZ3 LYS 104 3.408 -12.376 2.809 863 H LYS 105 H LYS 105 0.447 -10.382 -3.454 864 HA LYS 105 HA LYS 105 -1.025 -11.882 -5.378 865 HB2 LYS 105 HB2 LYS 105 0.274 -10.617 -7.041 866 HB3 LYS 105 HB3 LYS 105 -0.427 -9.567 -5.818 867 HG2 LYS 105 HG2 LYS 105 1.576 -8.708 -5.448 868 HG3 LYS 105 HG3 LYS 105 2.128 -10.286 -4.884 869 HD2 LYS 105 HD2 LYS 105 3.615 -9.628 -6.610 870 HD3 LYS 105 HD3 LYS 105 2.564 -10.866 -7.300 871 HE2 LYS 105 HE2 LYS 105 1.394 -9.338 -8.589 872 HE3 LYS 105 HE3 LYS 105 1.847 -7.977 -7.565 873 HZ1 LYS 105 HZ1 LYS 105 3.273 -7.591 -9.245 874 HZ2 LYS 105 HZ2 LYS 105 3.289 -9.198 -9.771 875 HZ3 LYS 105 HZ3 LYS 105 4.234 -8.733 -8.447 876 H PHE 106 H PHE 106 -0.457 -14.054 -5.063 877 HA PHE 106 HA PHE 106 2.108 -14.771 -6.220 878 HB2 PHE 106 HB2 PHE 106 1.810 -14.894 -3.526 879 HB3 PHE 106 HB3 PHE 106 1.265 -16.503 -3.986 880 HD1 PHE 106 HD1 PHE 106 2.884 -17.571 -5.900 881 HD2 PHE 106 HD2 PHE 106 4.008 -14.738 -2.929 882 HE1 PHE 106 HE1 PHE 106 5.223 -18.310 -6.085 883 HE2 PHE 106 HE2 PHE 106 6.350 -15.472 -3.110 884 HZ PHE 106 HZ PHE 106 6.960 -17.260 -4.690 885 H SER 107 H SER 107 0.954 -15.336 -8.095 886 HA SER 107 HA SER 107 -1.249 -17.101 -8.108 887 HB2 SER 107 HB2 SER 107 -0.449 -15.508 -9.970 888 HB3 SER 107 HB3 SER 107 0.672 -16.797 -10.408 889 HG SER 107 HG SER 107 -2.134 -17.144 -10.176 890 H GLN 108 H GLN 108 -1.135 -19.110 -7.329 891 HA GLN 108 HA GLN 108 1.304 -20.636 -7.515 892 HB2 GLN 108 HB2 GLN 108 -1.286 -20.939 -6.075 893 HB3 GLN 108 HB3 GLN 108 -0.314 -22.377 -6.356 894 HG2 GLN 108 HG2 GLN 108 1.611 -21.011 -5.331 895 HG3 GLN 108 HG3 GLN 108 0.335 -19.955 -4.727 896 HE21 GLN 108 HE21 GLN 108 2.079 -22.803 -4.237 897 HE22 GLN 108 HE22 GLN 108 1.170 -23.425 -2.906 898 H GLN 109 H GLN 109 -0.893 -20.027 -9.753 899 HA GLN 109 HA GLN 109 -1.843 -22.515 -10.630 900 HB2 GLN 109 HB2 GLN 109 -1.676 -19.802 -11.676 901 HB3 GLN 109 HB3 GLN 109 -1.481 -21.011 -12.938 902 HG2 GLN 109 HG2 GLN 109 -3.626 -21.905 -11.401 903 HG3 GLN 109 HG3 GLN 109 -3.856 -20.164 -11.554 904 HE21 GLN 109 HE21 GLN 109 -5.024 -19.589 -13.227 905 HE22 GLN 109 HE22 GLN 109 -5.134 -20.423 -14.736 906 H ASP 110 H ASP 110 -0.950 -24.145 -11.753 907 HA ASP 110 HA ASP 110 1.775 -23.763 -12.789 908 HB2 ASP 110 HB2 ASP 110 1.524 -25.189 -10.669 909 HB3 ASP 110 HB3 ASP 110 0.765 -26.385 -11.716 910 H THR 111 H THR 111 -1.238 -25.514 -13.116 911 HA THR 111 HA THR 111 -1.027 -25.501 -15.965 912 HB THR 111 HB THR 111 0.337 -27.448 -15.564 913 HG1 THR 111 HG1 THR 111 -2.256 -28.336 -16.276 914 HG21 THR 111 HG21 THR 111 0.068 -28.711 -13.775 915 HG22 THR 111 HG22 THR 111 -1.410 -29.351 -14.494 916 HG23 THR 111 HG23 THR 111 -1.484 -27.955 -13.419 917 H LYS 112 H LYS 112 -2.973 -26.338 -17.017 918 HA LYS 112 HA LYS 112 -5.313 -25.566 -15.619 919 HB2 LYS 112 HB2 LYS 112 -4.645 -25.758 -18.245 920 HB3 LYS 112 HB3 LYS 112 -5.650 -27.189 -18.062 921 HG2 LYS 112 HG2 LYS 112 -7.502 -25.869 -17.312 922 HG3 LYS 112 HG3 LYS 112 -6.502 -24.415 -17.264 923 HD2 LYS 112 HD2 LYS 112 -6.107 -25.034 -19.803 924 HD3 LYS 112 HD3 LYS 112 -7.652 -25.861 -19.598 925 HE2 LYS 112 HE2 LYS 112 -8.804 -23.908 -19.231 926 HE3 LYS 112 HE3 LYS 112 -7.383 -23.059 -18.625 927 HZ1 LYS 112 HZ1 LYS 112 -8.407 -22.680 -21.050 928 HZ2 LYS 112 HZ2 LYS 112 -7.267 -23.878 -21.406 929 HZ3 LYS 112 HZ3 LYS 112 -6.775 -22.431 -20.681 930 H LEU 113 H LEU 113 -4.870 -27.132 -13.801 931 HA LEU 113 HA LEU 113 -5.359 -29.902 -14.221 932 HB2 LEU 113 HB2 LEU 113 -4.334 -28.360 -12.168 933 HB3 LEU 113 HB3 LEU 113 -5.856 -28.936 -11.516 934 HG LEU 113 HG LEU 113 -4.033 -30.420 -10.891 935 HD11 LEU 113 HD11 LEU 113 -4.982 -32.503 -12.279 936 HD12 LEU 113 HD12 LEU 113 -6.254 -31.328 -12.613 937 HD13 LEU 113 HD13 LEU 113 -5.859 -31.750 -10.947 938 HD21 LEU 113 HD21 LEU 113 -2.586 -31.447 -12.371 939 HD22 LEU 113 HD22 LEU 113 -2.767 -29.844 -13.084 940 HD23 LEU 113 HD23 LEU 113 -3.662 -31.211 -13.749 941 H SER 114 H SER 114 -7.299 -30.486 -15.006 942 HA SER 114 HA SER 114 -9.721 -29.142 -14.538 943 HB2 SER 114 HB2 SER 114 -10.037 -31.991 -15.114 944 HB3 SER 114 HB3 SER 114 -10.540 -30.590 -16.057 945 HG SER 114 HG SER 114 -8.297 -32.152 -16.288 946 H LEU 115 H LEU 115 -11.021 -29.117 -12.827 947 HA LEU 115 HA LEU 115 -10.447 -30.386 -10.421 948 HB2 LEU 115 HB2 LEU 115 -13.287 -29.746 -10.899 949 HB3 LEU 115 HB3 LEU 115 -12.229 -29.274 -9.588 950 HG LEU 115 HG LEU 115 -11.193 -27.796 -11.618 951 HD11 LEU 115 HD11 LEU 115 -12.832 -28.396 -13.242 952 HD12 LEU 115 HD12 LEU 115 -13.169 -26.743 -12.727 953 HD13 LEU 115 HD13 LEU 115 -14.149 -28.075 -12.114 954 HD21 LEU 115 HD21 LEU 115 -11.529 -26.594 -9.743 955 HD22 LEU 115 HD22 LEU 115 -13.106 -27.314 -9.425 956 HD23 LEU 115 HD23 LEU 115 -12.945 -26.044 -10.637 957 H GLU 116 H GLU 116 -12.348 -31.706 -9.288 958 HA GLU 116 HA GLU 116 -12.598 -34.148 -10.874 959 HB2 GLU 116 HB2 GLU 116 -11.640 -34.080 -8.497 960 HB3 GLU 116 HB3 GLU 116 -13.297 -33.836 -7.961 961 HG2 GLU 116 HG2 GLU 116 -12.922 -36.130 -7.753 962 HG3 GLU 116 HG3 GLU 116 -13.861 -35.957 -9.235 Start of MODEL 12 1 H1 HIS 1 H1 HIS 1 7.310 -12.779 5.157 2 H2 HIS 1 H2 HIS 1 7.548 -14.241 6.024 3 H3 HIS 1 H3 HIS 1 7.260 -14.280 4.333 4 HA HIS 1 HA HIS 1 9.591 -13.053 5.646 5 HB2 HIS 1 HB2 HIS 1 10.744 -15.044 4.519 6 HB3 HIS 1 HB3 HIS 1 9.789 -15.388 5.957 7 HD1 HIS 1 HD1 HIS 1 9.951 -16.039 2.301 8 HD2 HIS 1 HD2 HIS 1 7.413 -16.847 5.490 9 HE1 HIS 1 HE1 HIS 1 8.357 -17.794 1.464 10 HE2 HIS 1 HE2 HIS 1 6.780 -18.207 3.384 11 H SER 2 H SER 2 8.205 -14.296 2.602 12 HA SER 2 HA SER 2 10.064 -12.829 0.988 13 HB2 SER 2 HB2 SER 2 8.562 -15.027 0.521 14 HB3 SER 2 HB3 SER 2 7.549 -13.801 -0.242 15 HG SER 2 HG SER 2 9.595 -13.134 -1.307 16 H VAL 3 H VAL 3 9.946 -10.663 1.098 17 HA VAL 3 HA VAL 3 7.605 -9.168 1.538 18 HB VAL 3 HB VAL 3 8.926 -7.212 0.789 19 HG11 VAL 3 HG11 VAL 3 9.204 -8.645 3.058 20 HG12 VAL 3 HG12 VAL 3 10.040 -7.124 2.747 21 HG13 VAL 3 HG13 VAL 3 10.867 -8.657 2.469 22 HG21 VAL 3 HG21 VAL 3 10.687 -9.363 -0.236 23 HG22 VAL 3 HG22 VAL 3 11.469 -7.940 0.452 24 HG23 VAL 3 HG23 VAL 3 10.347 -7.763 -0.897 25 HA PRO 4 HA PRO 4 6.039 -9.662 -2.676 26 HB2 PRO 4 HB2 PRO 4 3.578 -8.663 -2.202 27 HB3 PRO 4 HB3 PRO 4 4.042 -10.297 -1.715 28 HG2 PRO 4 HG2 PRO 4 3.900 -7.798 -0.073 29 HG3 PRO 4 HG3 PRO 4 3.364 -9.437 0.338 30 HD2 PRO 4 HD2 PRO 4 5.718 -8.383 1.204 31 HD3 PRO 4 HD3 PRO 4 5.480 -10.118 0.921 32 H GLU 5 H GLU 5 4.391 -7.964 -3.882 33 HA GLU 5 HA GLU 5 5.525 -5.279 -3.577 34 HB2 GLU 5 HB2 GLU 5 5.954 -7.082 -5.764 35 HB3 GLU 5 HB3 GLU 5 5.047 -5.687 -6.331 36 HG2 GLU 5 HG2 GLU 5 6.844 -4.305 -5.103 37 HG3 GLU 5 HG3 GLU 5 7.783 -5.797 -5.136 38 H SER 6 H SER 6 3.155 -7.079 -5.460 39 HA SER 6 HA SER 6 1.307 -4.829 -5.357 40 HB2 SER 6 HB2 SER 6 1.512 -7.330 -6.969 41 HB3 SER 6 HB3 SER 6 -0.090 -6.630 -6.738 42 HG SER 6 HG SER 6 1.787 -5.870 -8.438 43 H ILE 7 H ILE 7 -1.078 -5.445 -4.983 44 HA ILE 7 HA ILE 7 -1.321 -7.478 -2.888 45 HB ILE 7 HB ILE 7 -0.995 -5.421 -1.672 46 HG12 ILE 7 HG12 ILE 7 -3.298 -5.248 -0.544 47 HG13 ILE 7 HG13 ILE 7 -3.818 -6.474 -1.695 48 HG21 ILE 7 HG21 ILE 7 -3.364 -4.266 -3.124 49 HG22 ILE 7 HG22 ILE 7 -1.684 -3.908 -3.518 50 HG23 ILE 7 HG23 ILE 7 -2.334 -3.464 -1.941 51 HD11 ILE 7 HD11 ILE 7 -1.385 -7.315 -0.468 52 HD12 ILE 7 HD12 ILE 7 -2.980 -8.066 -0.417 53 HD13 ILE 7 HD13 ILE 7 -2.543 -6.843 0.776 54 H ARG 8 H ARG 8 -2.400 -8.722 -4.477 55 HA ARG 8 HA ARG 8 -4.781 -7.739 -5.748 56 HB2 ARG 8 HB2 ARG 8 -3.410 -9.410 -6.868 57 HB3 ARG 8 HB3 ARG 8 -3.637 -10.530 -5.533 58 HG2 ARG 8 HG2 ARG 8 -5.987 -10.725 -6.037 59 HG3 ARG 8 HG3 ARG 8 -5.847 -9.501 -7.300 60 HD2 ARG 8 HD2 ARG 8 -3.937 -11.652 -7.656 61 HD3 ARG 8 HD3 ARG 8 -5.594 -12.247 -7.608 62 HE ARG 8 HE ARG 8 -4.649 -10.164 -9.470 63 HH11 ARG 8 HH11 ARG 8 -6.669 -12.932 -8.753 64 HH12 ARG 8 HH12 ARG 8 -7.362 -12.982 -10.336 65 HH21 ARG 8 HH21 ARG 8 -5.567 -10.243 -11.544 66 HH22 ARG 8 HH22 ARG 8 -6.738 -11.463 -11.919 67 H PHE 9 H PHE 9 -5.945 -7.059 -3.837 68 HA PHE 9 HA PHE 9 -6.849 -9.119 -2.011 69 HB2 PHE 9 HB2 PHE 9 -8.178 -7.204 -1.003 70 HB3 PHE 9 HB3 PHE 9 -6.427 -7.031 -0.965 71 HD1 PHE 9 HD1 PHE 9 -5.312 -5.369 -2.325 72 HD2 PHE 9 HD2 PHE 9 -9.545 -5.788 -2.403 73 HE1 PHE 9 HE1 PHE 9 -5.503 -3.180 -3.428 74 HE2 PHE 9 HE2 PHE 9 -9.744 -3.600 -3.511 75 HZ PHE 9 HZ PHE 9 -7.722 -2.293 -4.024 76 H GLY 10 H GLY 10 -8.166 -10.515 -3.076 77 HA2 GLY 10 HA2 GLY 10 -10.179 -11.292 -3.879 78 HA3 GLY 10 HA3 GLY 10 -10.853 -9.702 -3.553 79 HA PRO 11 HA PRO 11 -11.030 -10.176 -8.128 80 HB2 PRO 11 HB2 PRO 11 -13.087 -8.085 -7.758 81 HB3 PRO 11 HB3 PRO 11 -13.186 -9.619 -8.628 82 HG2 PRO 11 HG2 PRO 11 -14.435 -9.271 -6.290 83 HG3 PRO 11 HG3 PRO 11 -13.692 -10.823 -6.718 84 HD2 PRO 11 HD2 PRO 11 -12.678 -8.674 -4.897 85 HD3 PRO 11 HD3 PRO 11 -12.619 -10.439 -4.700 86 H ASN 12 H ASN 12 -10.432 -7.527 -6.006 87 HA ASN 12 HA ASN 12 -9.738 -5.718 -8.187 88 HB2 ASN 12 HB2 ASN 12 -9.892 -5.382 -5.194 89 HB3 ASN 12 HB3 ASN 12 -9.216 -4.143 -6.247 90 HD21 ASN 12 HD21 ASN 12 -10.566 -3.014 -7.634 91 HD22 ASN 12 HD22 ASN 12 -12.285 -3.027 -7.462 92 H VAL 13 H VAL 13 -7.762 -5.639 -8.993 93 HA VAL 13 HA VAL 13 -5.527 -6.715 -7.409 94 HB VAL 13 HB VAL 13 -5.457 -6.157 -10.369 95 HG11 VAL 13 HG11 VAL 13 -3.351 -6.522 -9.003 96 HG12 VAL 13 HG12 VAL 13 -3.570 -7.565 -10.408 97 HG13 VAL 13 HG13 VAL 13 -3.900 -8.185 -8.790 98 HG21 VAL 13 HG21 VAL 13 -6.147 -8.810 -9.119 99 HG22 VAL 13 HG22 VAL 13 -6.103 -8.408 -10.835 100 HG23 VAL 13 HG23 VAL 13 -7.341 -7.704 -9.796 101 H PHE 14 H PHE 14 -4.116 -5.302 -6.574 102 HA PHE 14 HA PHE 14 -4.123 -2.559 -7.607 103 HB2 PHE 14 HB2 PHE 14 -4.513 -3.001 -5.158 104 HB3 PHE 14 HB3 PHE 14 -2.849 -3.568 -5.063 105 HD1 PHE 14 HD1 PHE 14 -1.025 -1.916 -5.855 106 HD2 PHE 14 HD2 PHE 14 -4.990 -0.765 -4.828 107 HE1 PHE 14 HE1 PHE 14 -0.257 0.394 -5.497 108 HE2 PHE 14 HE2 PHE 14 -4.230 1.547 -4.468 109 HZ PHE 14 HZ PHE 14 -1.861 2.129 -4.803 110 H TYR 15 H TYR 15 -2.289 -1.513 -8.278 111 HA TYR 15 HA TYR 15 0.086 -3.211 -8.674 112 HB2 TYR 15 HB2 TYR 15 -1.129 -1.092 -10.441 113 HB3 TYR 15 HB3 TYR 15 0.526 -1.654 -10.653 114 HD1 TYR 15 HD1 TYR 15 0.781 -4.278 -10.841 115 HD2 TYR 15 HD2 TYR 15 -2.812 -2.139 -11.623 116 HE1 TYR 15 HE1 TYR 15 -0.030 -6.153 -12.210 117 HE2 TYR 15 HE2 TYR 15 -3.633 -4.007 -12.993 118 HH TYR 15 HH TYR 15 -1.840 -6.278 -14.272 119 H VAL 16 H VAL 16 1.450 -2.625 -7.096 120 HA VAL 16 HA VAL 16 1.626 -0.076 -5.931 121 HB VAL 16 HB VAL 16 3.972 -0.919 -5.217 122 HG11 VAL 16 HG11 VAL 16 1.562 -2.532 -4.401 123 HG12 VAL 16 HG12 VAL 16 1.900 -0.895 -3.838 124 HG13 VAL 16 HG13 VAL 16 3.008 -2.209 -3.445 125 HG21 VAL 16 HG21 VAL 16 4.544 -3.132 -5.574 126 HG22 VAL 16 HG22 VAL 16 3.849 -2.678 -7.130 127 HG23 VAL 16 HG23 VAL 16 2.892 -3.604 -5.972 128 H LEU 17 H LEU 17 2.788 -1.189 -8.942 129 HA LEU 17 HA LEU 17 4.792 0.951 -9.077 130 HB2 LEU 17 HB2 LEU 17 4.312 -1.488 -10.774 131 HB3 LEU 17 HB3 LEU 17 5.410 -0.208 -11.253 132 HG LEU 17 HG LEU 17 5.801 -1.437 -8.570 133 HD11 LEU 17 HD11 LEU 17 6.675 -3.409 -9.291 134 HD12 LEU 17 HD12 LEU 17 7.099 -2.772 -10.879 135 HD13 LEU 17 HD13 LEU 17 5.425 -3.194 -10.516 136 HD21 LEU 17 HD21 LEU 17 8.209 -1.150 -9.390 137 HD22 LEU 17 HD22 LEU 17 7.282 0.309 -9.041 138 HD23 LEU 17 HD23 LEU 17 7.510 -0.212 -10.710 139 H LYS 18 H LYS 18 1.741 -0.090 -10.411 140 HA LYS 18 HA LYS 18 1.822 2.010 -12.440 141 HB2 LYS 18 HB2 LYS 18 -0.310 -0.065 -11.916 142 HB3 LYS 18 HB3 LYS 18 -0.239 1.022 -13.294 143 HG2 LYS 18 HG2 LYS 18 2.041 -0.066 -13.770 144 HG3 LYS 18 HG3 LYS 18 1.500 -1.330 -12.664 145 HD2 LYS 18 HD2 LYS 18 0.141 -2.216 -14.198 146 HD3 LYS 18 HD3 LYS 18 -0.541 -0.641 -14.608 147 HE2 LYS 18 HE2 LYS 18 1.450 -0.193 -16.010 148 HE3 LYS 18 HE3 LYS 18 2.028 -1.821 -15.658 149 HZ1 LYS 18 HZ1 LYS 18 0.545 -2.744 -17.054 150 HZ2 LYS 18 HZ2 LYS 18 0.549 -1.217 -17.779 151 HZ3 LYS 18 HZ3 LYS 18 -0.679 -1.633 -16.693 152 H LEU 19 H LEU 19 0.486 1.389 -9.317 153 HA LEU 19 HA LEU 19 -0.807 2.630 -7.923 154 HB2 LEU 19 HB2 LEU 19 -0.114 4.795 -9.908 155 HB3 LEU 19 HB3 LEU 19 -0.959 5.088 -8.403 156 HG LEU 19 HG LEU 19 1.135 5.604 -7.708 157 HD11 LEU 19 HD11 LEU 19 0.358 3.484 -6.524 158 HD12 LEU 19 HD12 LEU 19 2.064 3.913 -6.391 159 HD13 LEU 19 HD13 LEU 19 1.558 2.643 -7.505 160 HD21 LEU 19 HD21 LEU 19 2.669 3.552 -9.160 161 HD22 LEU 19 HD22 LEU 19 3.029 5.254 -8.869 162 HD23 LEU 19 HD23 LEU 19 1.903 4.797 -10.146 163 H THR 20 H THR 20 -2.189 1.046 -9.660 164 HA THR 20 HA THR 20 -4.701 2.461 -9.826 165 HB THR 20 HB THR 20 -3.477 1.238 -12.307 166 HG1 THR 20 HG1 THR 20 -2.601 3.233 -12.038 167 HG21 THR 20 HG21 THR 20 -5.427 2.221 -13.467 168 HG22 THR 20 HG22 THR 20 -6.142 2.567 -11.892 169 HG23 THR 20 HG23 THR 20 -5.842 0.898 -12.377 170 H VAL 21 H VAL 21 -6.211 1.136 -9.059 171 HA VAL 21 HA VAL 21 -5.646 -1.712 -8.919 172 HB VAL 21 HB VAL 21 -8.217 -0.783 -7.831 173 HG11 VAL 21 HG11 VAL 21 -6.896 -3.040 -7.598 174 HG12 VAL 21 HG12 VAL 21 -7.853 -2.403 -6.261 175 HG13 VAL 21 HG13 VAL 21 -6.103 -2.183 -6.277 176 HG21 VAL 21 HG21 VAL 21 -7.107 0.179 -5.801 177 HG22 VAL 21 HG22 VAL 21 -6.974 1.178 -7.247 178 HG23 VAL 21 HG23 VAL 21 -5.599 0.212 -6.714 179 H GLU 22 H GLU 22 -6.503 -3.190 -10.211 180 HA GLU 22 HA GLU 22 -8.211 -2.421 -12.365 181 HB2 GLU 22 HB2 GLU 22 -7.334 -5.168 -11.454 182 HB3 GLU 22 HB3 GLU 22 -8.134 -4.812 -12.979 183 HG2 GLU 22 HG2 GLU 22 -5.604 -3.395 -12.309 184 HG3 GLU 22 HG3 GLU 22 -5.538 -5.072 -12.848 185 H THR 23 H THR 23 -10.148 -1.694 -11.504 186 HA THR 23 HA THR 23 -11.682 -3.390 -9.736 187 HB THR 23 HB THR 23 -13.409 -1.557 -9.999 188 HG1 THR 23 HG1 THR 23 -12.914 0.203 -11.156 189 HG21 THR 23 HG21 THR 23 -10.705 -1.156 -8.876 190 HG22 THR 23 HG22 THR 23 -12.281 -1.132 -8.087 191 HG23 THR 23 HG23 THR 23 -11.745 0.260 -9.027 192 HA PRO 24 HA PRO 24 -14.093 -5.392 -12.838 193 HB2 PRO 24 HB2 PRO 24 -16.421 -5.810 -11.558 194 HB3 PRO 24 HB3 PRO 24 -14.933 -6.635 -11.087 195 HG2 PRO 24 HG2 PRO 24 -16.253 -4.259 -9.850 196 HG3 PRO 24 HG3 PRO 24 -15.500 -5.659 -9.064 197 HD2 PRO 24 HD2 PRO 24 -14.270 -3.242 -9.372 198 HD3 PRO 24 HD3 PRO 24 -13.394 -4.774 -9.241 199 H GLU 25 H GLU 25 -15.378 -2.478 -11.386 200 HA GLU 25 HA GLU 25 -17.217 -2.128 -13.649 201 HB2 GLU 25 HB2 GLU 25 -17.772 -1.847 -11.041 202 HB3 GLU 25 HB3 GLU 25 -17.219 -0.212 -11.379 203 HG2 GLU 25 HG2 GLU 25 -18.880 -0.009 -13.151 204 HG3 GLU 25 HG3 GLU 25 -19.429 -1.653 -12.829 205 H GLY 26 H GLY 26 -14.326 -1.762 -13.846 206 HA2 GLY 26 HA2 GLY 26 -13.714 0.017 -15.555 207 HA3 GLY 26 HA3 GLY 26 -14.190 1.151 -14.300 208 H SER 27 H SER 27 -12.340 2.125 -13.732 209 HA SER 27 HA SER 27 -10.225 0.435 -12.617 210 HB2 SER 27 HB2 SER 27 -9.870 1.449 -15.092 211 HB3 SER 27 HB3 SER 27 -9.289 2.809 -14.131 212 HG SER 27 HG SER 27 -7.896 0.767 -14.771 213 H VAL 28 H VAL 28 -8.584 1.844 -11.408 214 HA VAL 28 HA VAL 28 -9.829 4.239 -10.263 215 HB VAL 28 HB VAL 28 -8.840 3.305 -7.994 216 HG11 VAL 28 HG11 VAL 28 -11.028 3.784 -7.758 217 HG12 VAL 28 HG12 VAL 28 -11.209 2.032 -7.859 218 HG13 VAL 28 HG13 VAL 28 -11.468 3.030 -9.290 219 HG21 VAL 28 HG21 VAL 28 -8.863 1.000 -7.713 220 HG22 VAL 28 HG22 VAL 28 -8.075 1.212 -9.276 221 HG23 VAL 28 HG23 VAL 28 -9.768 0.727 -9.201 222 H HIS 29 H HIS 29 -8.408 5.817 -10.565 223 HA HIS 29 HA HIS 29 -5.540 5.200 -10.443 224 HB2 HIS 29 HB2 HIS 29 -7.037 7.529 -11.655 225 HB3 HIS 29 HB3 HIS 29 -5.282 7.451 -11.545 226 HD1 HIS 29 HD1 HIS 29 -8.185 5.686 -13.200 227 HD2 HIS 29 HD2 HIS 29 -4.056 6.015 -13.535 228 HE1 HIS 29 HE1 HIS 29 -7.588 4.507 -15.340 229 HE2 HIS 29 HE2 HIS 29 -5.077 4.649 -15.481 230 H LEU 30 H LEU 30 -4.112 6.720 -9.365 231 HA LEU 30 HA LEU 30 -5.187 8.665 -7.559 232 HB2 LEU 30 HB2 LEU 30 -4.914 7.630 -5.518 233 HB3 LEU 30 HB3 LEU 30 -5.541 6.321 -6.499 234 HG LEU 30 HG LEU 30 -2.671 6.746 -5.674 235 HD11 LEU 30 HD11 LEU 30 -3.527 5.715 -3.852 236 HD12 LEU 30 HD12 LEU 30 -3.297 4.281 -4.853 237 HD13 LEU 30 HD13 LEU 30 -4.889 5.033 -4.740 238 HD21 LEU 30 HD21 LEU 30 -2.160 4.696 -6.854 239 HD22 LEU 30 HD22 LEU 30 -2.819 5.892 -7.972 240 HD23 LEU 30 HD23 LEU 30 -3.832 4.566 -7.400 241 H THR 31 H THR 31 -3.389 9.517 -6.075 242 HA THR 31 HA THR 31 -1.128 10.113 -7.718 243 HB THR 31 HB THR 31 -0.351 11.352 -5.630 244 HG1 THR 31 HG1 THR 31 -1.961 11.588 -4.024 245 HG21 THR 31 HG21 THR 31 -3.068 12.355 -6.022 246 HG22 THR 31 HG22 THR 31 -2.147 12.121 -7.508 247 HG23 THR 31 HG23 THR 31 -1.512 13.159 -6.232 248 HA PRO 32 HA PRO 32 1.487 6.837 -6.307 249 HB2 PRO 32 HB2 PRO 32 3.862 7.719 -7.208 250 HB3 PRO 32 HB3 PRO 32 2.597 7.151 -8.304 251 HG2 PRO 32 HG2 PRO 32 3.352 9.954 -7.575 252 HG3 PRO 32 HG3 PRO 32 2.949 9.282 -9.165 253 HD2 PRO 32 HD2 PRO 32 1.181 10.692 -7.630 254 HD3 PRO 32 HD3 PRO 32 0.690 9.451 -8.800 255 H SER 33 H SER 33 1.907 10.099 -5.265 256 HA SER 33 HA SER 33 4.020 9.529 -3.413 257 HB2 SER 33 HB2 SER 33 3.697 11.811 -2.615 258 HB3 SER 33 HB3 SER 33 3.703 11.795 -4.378 259 HG SER 33 HG SER 33 1.966 13.005 -3.816 260 H GLU 34 H GLU 34 0.546 9.898 -3.251 261 HA GLU 34 HA GLU 34 0.494 9.412 -0.406 262 HB2 GLU 34 HB2 GLU 34 -1.577 9.932 -2.503 263 HB3 GLU 34 HB3 GLU 34 -2.073 9.191 -0.988 264 HG2 GLU 34 HG2 GLU 34 -2.378 11.342 -0.399 265 HG3 GLU 34 HG3 GLU 34 -0.664 11.227 -0.006 266 H SER 35 H SER 35 -0.053 7.672 -3.367 267 HA SER 35 HA SER 35 -0.934 5.281 -2.033 268 HB2 SER 35 HB2 SER 35 -1.235 4.376 -4.137 269 HB3 SER 35 HB3 SER 35 -1.345 6.090 -4.522 270 HG SER 35 HG SER 35 0.131 5.461 -5.932 271 H GLY 36 H GLY 36 2.022 6.835 -2.687 272 HA2 GLY 36 HA2 GLY 36 3.717 4.555 -2.807 273 HA3 GLY 36 HA3 GLY 36 4.219 6.203 -2.465 274 H ILE 37 H ILE 37 2.260 6.394 -0.251 275 HA ILE 37 HA ILE 37 3.974 5.515 1.840 276 HB ILE 37 HB ILE 37 1.109 6.132 2.409 277 HG12 ILE 37 HG12 ILE 37 1.603 7.824 0.761 278 HG13 ILE 37 HG13 ILE 37 1.645 8.576 2.350 279 HG21 ILE 37 HG21 ILE 37 3.627 6.078 3.829 280 HG22 ILE 37 HG22 ILE 37 1.977 6.087 4.453 281 HG23 ILE 37 HG23 ILE 37 2.780 7.608 4.060 282 HD11 ILE 37 HD11 ILE 37 4.019 8.637 2.340 283 HD12 ILE 37 HD12 ILE 37 3.456 9.290 0.805 284 HD13 ILE 37 HD13 ILE 37 4.097 7.649 0.882 285 H LEU 38 H LEU 38 0.950 4.342 0.527 286 HA LEU 38 HA LEU 38 0.629 2.218 2.380 287 HB2 LEU 38 HB2 LEU 38 -1.238 1.641 1.195 288 HB3 LEU 38 HB3 LEU 38 -1.057 3.298 0.658 289 HG LEU 38 HG LEU 38 0.382 2.057 -1.251 290 HD11 LEU 38 HD11 LEU 38 -0.352 -0.133 -0.041 291 HD12 LEU 38 HD12 LEU 38 -0.356 -0.047 -1.802 292 HD13 LEU 38 HD13 LEU 38 -1.865 0.128 -0.908 293 HD21 LEU 38 HD21 LEU 38 -1.179 2.979 -2.540 294 HD22 LEU 38 HD22 LEU 38 -2.055 3.383 -1.064 295 HD23 LEU 38 HD23 LEU 38 -2.424 1.891 -1.927 296 H LYS 39 H LYS 39 2.411 2.657 -0.543 297 HA LYS 39 HA LYS 39 2.902 -0.020 -1.213 298 HB2 LYS 39 HB2 LYS 39 3.424 2.241 -2.476 299 HB3 LYS 39 HB3 LYS 39 4.985 2.063 -1.685 300 HG2 LYS 39 HG2 LYS 39 4.640 -0.420 -2.719 301 HG3 LYS 39 HG3 LYS 39 3.820 0.575 -3.924 302 HD2 LYS 39 HD2 LYS 39 5.742 1.489 -4.654 303 HD3 LYS 39 HD3 LYS 39 6.405 1.634 -3.025 304 HE2 LYS 39 HE2 LYS 39 7.813 0.030 -3.769 305 HE3 LYS 39 HE3 LYS 39 6.484 -1.032 -3.305 306 HZ1 LYS 39 HZ1 LYS 39 5.999 -1.501 -5.437 307 HZ2 LYS 39 HZ2 LYS 39 7.607 -1.055 -5.711 308 HZ3 LYS 39 HZ3 LYS 39 6.362 0.054 -5.997 309 H ARG 40 H ARG 40 4.421 2.175 1.034 310 HA ARG 40 HA ARG 40 6.603 0.399 1.621 311 HB2 ARG 40 HB2 ARG 40 5.652 2.737 3.277 312 HB3 ARG 40 HB3 ARG 40 7.249 2.005 3.291 313 HG2 ARG 40 HG2 ARG 40 6.494 2.935 0.650 314 HG3 ARG 40 HG3 ARG 40 6.472 4.226 1.853 315 HD2 ARG 40 HD2 ARG 40 8.700 4.266 1.991 316 HD3 ARG 40 HD3 ARG 40 8.804 2.510 2.108 317 HE ARG 40 HE ARG 40 9.097 4.120 -0.267 318 HH11 ARG 40 HH11 ARG 40 8.415 0.935 0.992 319 HH12 ARG 40 HH12 ARG 40 8.888 0.124 -0.462 320 HH21 ARG 40 HH21 ARG 40 9.719 3.052 -2.179 321 HH22 ARG 40 HH22 ARG 40 9.628 1.324 -2.262 322 H LEU 41 H LEU 41 3.451 1.048 2.915 323 HA LEU 41 HA LEU 41 3.851 -0.552 5.276 324 HB2 LEU 41 HB2 LEU 41 1.452 0.764 4.030 325 HB3 LEU 41 HB3 LEU 41 1.288 -0.326 5.393 326 HG LEU 41 HG LEU 41 3.298 1.572 6.058 327 HD11 LEU 41 HD11 LEU 41 2.683 3.352 4.843 328 HD12 LEU 41 HD12 LEU 41 1.368 3.478 6.010 329 HD13 LEU 41 HD13 LEU 41 1.100 2.675 4.463 330 HD21 LEU 41 HD21 LEU 41 2.076 0.580 7.779 331 HD22 LEU 41 HD22 LEU 41 0.528 0.935 7.012 332 HD23 LEU 41 HD23 LEU 41 1.473 2.237 7.735 333 H LEU 42 H LEU 42 2.927 -1.051 2.012 334 HA LEU 42 HA LEU 42 1.522 -3.500 2.385 335 HB2 LEU 42 HB2 LEU 42 2.019 -1.771 0.248 336 HB3 LEU 42 HB3 LEU 42 2.826 -3.263 -0.194 337 HG LEU 42 HG LEU 42 0.548 -3.164 -1.086 338 HD11 LEU 42 HD11 LEU 42 1.355 -5.238 0.880 339 HD12 LEU 42 HD12 LEU 42 1.115 -5.360 -0.863 340 HD13 LEU 42 HD13 LEU 42 -0.278 -5.304 0.218 341 HD21 LEU 42 HD21 LEU 42 -0.068 -2.487 1.710 342 HD22 LEU 42 HD22 LEU 42 -1.182 -3.616 0.938 343 HD23 LEU 42 HD23 LEU 42 -0.894 -2.031 0.220 344 H ILE 43 H ILE 43 4.849 -2.567 2.094 345 HA ILE 43 HA ILE 43 5.954 -5.064 1.394 346 HB ILE 43 HB ILE 43 7.299 -3.038 3.178 347 HG12 ILE 43 HG12 ILE 43 6.466 -1.788 1.301 348 HG13 ILE 43 HG13 ILE 43 8.186 -2.058 1.043 349 HG21 ILE 43 HG21 ILE 43 9.342 -3.896 2.197 350 HG22 ILE 43 HG22 ILE 43 8.415 -4.974 1.154 351 HG23 ILE 43 HG23 ILE 43 8.407 -5.215 2.901 352 HD11 ILE 43 HD11 ILE 43 6.744 -2.345 -0.974 353 HD12 ILE 43 HD12 ILE 43 6.040 -3.760 -0.191 354 HD13 ILE 43 HD13 ILE 43 7.760 -3.733 -0.582 355 H ASN 44 H ASN 44 4.822 -3.732 4.417 356 HA ASN 44 HA ASN 44 5.875 -5.988 5.928 357 HB2 ASN 44 HB2 ASN 44 4.498 -3.432 6.711 358 HB3 ASN 44 HB3 ASN 44 4.730 -4.742 7.863 359 HD21 ASN 44 HD21 ASN 44 6.009 -1.948 6.693 360 HD22 ASN 44 HD22 ASN 44 7.651 -2.156 7.186 361 H LYS 45 H LYS 45 2.792 -4.498 5.147 362 HA LYS 45 HA LYS 45 0.656 -5.276 5.121 363 HB2 LYS 45 HB2 LYS 45 1.543 -6.805 3.451 364 HB3 LYS 45 HB3 LYS 45 2.089 -7.904 4.708 365 HG2 LYS 45 HG2 LYS 45 0.134 -8.937 4.699 366 HG3 LYS 45 HG3 LYS 45 -0.699 -7.424 5.060 367 HD2 LYS 45 HD2 LYS 45 -0.233 -7.041 2.455 368 HD3 LYS 45 HD3 LYS 45 -0.289 -8.804 2.470 369 HE2 LYS 45 HE2 LYS 45 -2.454 -8.105 4.014 370 HE3 LYS 45 HE3 LYS 45 -2.438 -6.854 2.772 371 HZ1 LYS 45 HZ1 LYS 45 -3.024 -9.678 2.543 372 HZ2 LYS 45 HZ2 LYS 45 -2.041 -9.062 1.313 373 HZ3 LYS 45 HZ3 LYS 45 -3.562 -8.380 1.601 374 H GLY 46 H GLY 46 0.076 -4.774 7.217 375 HA2 GLY 46 HA2 GLY 46 -0.742 -5.220 9.317 376 HA3 GLY 46 HA3 GLY 46 -0.737 -6.917 8.862 377 H GLN 47 H GLN 47 1.618 -4.365 9.679 378 HA GLN 47 HA GLN 47 2.826 -6.198 11.616 379 HB2 GLN 47 HB2 GLN 47 4.017 -6.136 9.294 380 HB3 GLN 47 HB3 GLN 47 4.609 -4.572 9.836 381 HG2 GLN 47 HG2 GLN 47 5.100 -6.257 11.975 382 HG3 GLN 47 HG3 GLN 47 5.473 -7.235 10.556 383 HE21 GLN 47 HE21 GLN 47 7.634 -7.253 10.564 384 HE22 GLN 47 HE22 GLN 47 8.638 -5.848 10.509 385 H LEU 48 H LEU 48 4.062 -5.157 13.260 386 HA LEU 48 HA LEU 48 2.983 -2.646 14.056 387 HB2 LEU 48 HB2 LEU 48 4.179 -4.760 15.340 388 HB3 LEU 48 HB3 LEU 48 5.412 -3.518 15.440 389 HG LEU 48 HG LEU 48 4.015 -3.497 17.427 390 HD11 LEU 48 HD11 LEU 48 4.788 -1.368 17.100 391 HD12 LEU 48 HD12 LEU 48 3.048 -1.082 17.057 392 HD13 LEU 48 HD13 LEU 48 3.962 -1.186 15.553 393 HD21 LEU 48 HD21 LEU 48 1.971 -4.227 15.817 394 HD22 LEU 48 HD22 LEU 48 1.621 -2.511 16.031 395 HD23 LEU 48 HD23 LEU 48 1.765 -3.563 17.439 396 H CYS 49 H CYS 49 3.533 -0.894 12.894 397 HA CYS 49 HA CYS 49 6.404 -0.400 12.446 398 HB2 CYS 49 HB2 CYS 49 4.091 0.689 10.830 399 HB3 CYS 49 HB3 CYS 49 5.804 0.914 10.493 400 HG CYS 49 HG CYS 49 5.079 -0.972 8.949 401 H LEU 50 H LEU 50 6.885 2.010 12.229 402 HA LEU 50 HA LEU 50 5.408 3.471 14.319 403 HB2 LEU 50 HB2 LEU 50 8.241 2.946 13.957 404 HB3 LEU 50 HB3 LEU 50 7.915 4.664 14.081 405 HG LEU 50 HG LEU 50 8.428 3.818 16.267 406 HD11 LEU 50 HD11 LEU 50 6.277 5.331 15.712 407 HD12 LEU 50 HD12 LEU 50 6.786 4.919 17.350 408 HD13 LEU 50 HD13 LEU 50 5.502 3.997 16.567 409 HD21 LEU 50 HD21 LEU 50 8.061 1.591 16.436 410 HD22 LEU 50 HD22 LEU 50 6.598 1.645 15.454 411 HD23 LEU 50 HD23 LEU 50 6.542 2.135 17.147 412 H ARG 51 H ARG 51 4.877 5.604 13.967 413 HA ARG 51 HA ARG 51 4.542 6.409 11.277 414 HB2 ARG 51 HB2 ARG 51 3.600 8.456 12.182 415 HB3 ARG 51 HB3 ARG 51 3.003 7.073 13.087 416 HG2 ARG 51 HG2 ARG 51 5.235 7.802 14.506 417 HG3 ARG 51 HG3 ARG 51 4.582 9.352 13.974 418 HD2 ARG 51 HD2 ARG 51 2.489 7.593 14.917 419 HD3 ARG 51 HD3 ARG 51 3.734 7.823 16.144 420 HE ARG 51 HE ARG 51 2.860 10.267 14.910 421 HH11 ARG 51 HH11 ARG 51 2.232 7.961 17.453 422 HH12 ARG 51 HH12 ARG 51 1.382 9.097 18.444 423 HH21 ARG 51 HH21 ARG 51 1.742 11.764 16.213 424 HH22 ARG 51 HH22 ARG 51 1.102 11.256 17.741 425 H LYS 52 H LYS 52 6.937 7.086 13.693 426 HA LYS 52 HA LYS 52 8.152 9.195 12.123 427 HB2 LYS 52 HB2 LYS 52 8.838 7.911 14.760 428 HB3 LYS 52 HB3 LYS 52 9.941 9.025 13.965 429 HG2 LYS 52 HG2 LYS 52 7.719 10.508 13.900 430 HG3 LYS 52 HG3 LYS 52 7.381 9.543 15.338 431 HD2 LYS 52 HD2 LYS 52 9.240 10.362 16.475 432 HD3 LYS 52 HD3 LYS 52 10.037 10.885 14.990 433 HE2 LYS 52 HE2 LYS 52 9.321 12.914 15.705 434 HE3 LYS 52 HE3 LYS 52 7.862 12.419 14.849 435 HZ1 LYS 52 HZ1 LYS 52 8.049 11.602 17.632 436 HZ2 LYS 52 HZ2 LYS 52 6.719 12.174 16.758 437 HZ3 LYS 52 HZ3 LYS 52 7.863 13.262 17.363 438 H HIS 53 H HIS 53 8.302 5.821 12.269 439 HA HIS 53 HA HIS 53 11.010 5.702 11.204 440 HB2 HIS 53 HB2 HIS 53 10.492 3.968 12.783 441 HB3 HIS 53 HB3 HIS 53 8.994 3.584 11.945 442 HD1 HIS 53 HD1 HIS 53 12.575 2.768 12.046 443 HD2 HIS 53 HD2 HIS 53 9.388 2.201 9.441 444 HE1 HIS 53 HE1 HIS 53 13.333 0.994 10.433 445 HE2 HIS 53 HE2 HIS 53 11.359 0.611 8.915 446 H LEU 54 H LEU 54 7.712 5.629 10.212 447 HA LEU 54 HA LEU 54 8.135 4.489 7.642 448 HB2 LEU 54 HB2 LEU 54 5.929 5.128 9.143 449 HB3 LEU 54 HB3 LEU 54 5.896 6.370 7.907 450 HG LEU 54 HG LEU 54 4.528 4.606 7.122 451 HD11 LEU 54 HD11 LEU 54 5.860 3.713 5.161 452 HD12 LEU 54 HD12 LEU 54 7.236 4.594 5.823 453 HD13 LEU 54 HD13 LEU 54 5.786 5.467 5.331 454 HD21 LEU 54 HD21 LEU 54 5.954 2.968 8.721 455 HD22 LEU 54 HD22 LEU 54 6.588 2.505 7.142 456 HD23 LEU 54 HD23 LEU 54 4.856 2.405 7.461 457 H LEU 55 H LEU 55 8.554 7.637 9.012 458 HA LEU 55 HA LEU 55 8.510 9.015 6.505 459 HB2 LEU 55 HB2 LEU 55 8.791 10.934 7.684 460 HB3 LEU 55 HB3 LEU 55 8.133 9.909 8.933 461 HG LEU 55 HG LEU 55 10.724 11.271 8.782 462 HD11 LEU 55 HD11 LEU 55 10.304 11.687 10.963 463 HD12 LEU 55 HD12 LEU 55 9.659 10.071 11.263 464 HD13 LEU 55 HD13 LEU 55 8.659 11.287 10.466 465 HD21 LEU 55 HD21 LEU 55 10.635 8.359 9.352 466 HD22 LEU 55 HD22 LEU 55 11.613 9.380 10.405 467 HD23 LEU 55 HD23 LEU 55 11.933 9.343 8.674 468 H GLU 56 H GLU 56 10.749 6.955 7.954 469 HA GLU 56 HA GLU 56 13.080 8.224 6.790 470 HB2 GLU 56 HB2 GLU 56 12.592 5.864 8.544 471 HB3 GLU 56 HB3 GLU 56 14.081 5.911 7.610 472 HG2 GLU 56 HG2 GLU 56 14.446 8.222 8.605 473 HG3 GLU 56 HG3 GLU 56 13.152 7.815 9.731 474 H GLU 57 H GLU 57 10.754 5.854 5.895 475 HA GLU 57 HA GLU 57 12.485 4.702 3.860 476 HB2 GLU 57 HB2 GLU 57 9.798 4.058 4.965 477 HB3 GLU 57 HB3 GLU 57 10.129 3.568 3.309 478 HG2 GLU 57 HG2 GLU 57 12.354 2.824 4.898 479 HG3 GLU 57 HG3 GLU 57 10.889 2.297 5.725 480 H ILE 58 H ILE 58 9.885 6.962 4.159 481 HA ILE 58 HA ILE 58 9.575 7.204 1.284 482 HB ILE 58 HB ILE 58 8.321 9.020 3.333 483 HG12 ILE 58 HG12 ILE 58 7.311 6.335 2.363 484 HG13 ILE 58 HG13 ILE 58 7.826 6.717 4.001 485 HG21 ILE 58 HG21 ILE 58 6.911 8.167 0.886 486 HG22 ILE 58 HG22 ILE 58 8.329 9.189 0.646 487 HG23 ILE 58 HG23 ILE 58 6.996 9.753 1.655 488 HD11 ILE 58 HD11 ILE 58 5.851 8.592 3.333 489 HD12 ILE 58 HD12 ILE 58 5.741 7.255 4.478 490 HD13 ILE 58 HD13 ILE 58 5.262 7.019 2.798 491 H LYS 59 H LYS 59 11.438 8.538 3.811 492 HA LYS 59 HA LYS 59 11.982 11.052 2.497 493 HB2 LYS 59 HB2 LYS 59 12.046 11.001 4.920 494 HB3 LYS 59 HB3 LYS 59 13.241 9.711 4.900 495 HG2 LYS 59 HG2 LYS 59 13.921 12.250 3.523 496 HG3 LYS 59 HG3 LYS 59 13.902 12.240 5.288 497 HD2 LYS 59 HD2 LYS 59 15.711 10.875 5.434 498 HD3 LYS 59 HD3 LYS 59 15.303 9.997 3.959 499 HE2 LYS 59 HE2 LYS 59 16.371 11.500 2.604 500 HE3 LYS 59 HE3 LYS 59 16.123 12.844 3.718 501 HZ1 LYS 59 HZ1 LYS 59 18.233 10.814 3.695 502 HZ2 LYS 59 HZ2 LYS 59 17.746 11.436 5.190 503 HZ3 LYS 59 HZ3 LYS 59 18.338 12.475 3.995 504 H ASN 60 H ASN 60 13.481 7.881 2.882 505 HA ASN 60 HA ASN 60 15.973 8.503 1.720 506 HB2 ASN 60 HB2 ASN 60 14.458 6.053 2.364 507 HB3 ASN 60 HB3 ASN 60 15.600 5.885 1.035 508 HD21 ASN 60 HD21 ASN 60 16.535 4.360 2.634 509 HD22 ASN 60 HD22 ASN 60 17.684 4.986 3.761 510 H HIS 61 H HIS 61 12.846 7.696 0.421 511 HA HIS 61 HA HIS 61 13.783 7.523 -2.298 512 HB2 HIS 61 HB2 HIS 61 11.925 6.093 -1.447 513 HB3 HIS 61 HB3 HIS 61 10.956 7.544 -1.223 514 HD1 HIS 61 HD1 HIS 61 9.172 7.024 -2.936 515 HD2 HIS 61 HD2 HIS 61 13.018 6.881 -4.504 516 HE1 HIS 61 HE1 HIS 61 8.876 6.841 -5.427 517 HE2 HIS 61 HE2 HIS 61 11.216 6.678 -6.348 518 H ALA 62 H ALA 62 11.508 9.555 -0.485 519 HA ALA 62 HA ALA 62 12.382 12.038 -1.165 520 HB1 ALA 62 HB1 ALA 62 10.719 12.647 -3.020 521 HB2 ALA 62 HB2 ALA 62 10.650 10.911 -3.341 522 HB3 ALA 62 HB3 ALA 62 12.183 11.773 -3.478 523 H LYS 63 H LYS 63 11.502 12.198 0.954 524 HA LYS 63 HA LYS 63 8.716 11.844 1.456 525 HB2 LYS 63 HB2 LYS 63 10.292 11.661 3.283 526 HB3 LYS 63 HB3 LYS 63 10.869 13.298 3.006 527 HG2 LYS 63 HG2 LYS 63 8.128 13.571 3.407 528 HG3 LYS 63 HG3 LYS 63 8.645 12.367 4.589 529 HD2 LYS 63 HD2 LYS 63 9.843 13.865 5.778 530 HD3 LYS 63 HD3 LYS 63 10.408 14.709 4.335 531 HE2 LYS 63 HE2 LYS 63 8.076 15.660 4.134 532 HE3 LYS 63 HE3 LYS 63 7.767 15.012 5.745 533 HZ1 LYS 63 HZ1 LYS 63 9.026 16.584 6.714 534 HZ2 LYS 63 HZ2 LYS 63 8.710 17.456 5.299 535 HZ3 LYS 63 HZ3 LYS 63 10.170 16.618 5.466 536 H ALA 64 H ALA 64 8.384 13.169 -0.667 537 HA ALA 64 HA ALA 64 7.501 15.003 -1.670 538 HB1 ALA 64 HB1 ALA 64 6.629 16.751 0.186 539 HB2 ALA 64 HB2 ALA 64 6.745 15.288 1.167 540 HB3 ALA 64 HB3 ALA 64 5.742 15.299 -0.284 541 H ILE 65 H ILE 65 8.956 16.226 -2.721 542 HA ILE 65 HA ILE 65 11.045 17.612 -1.303 543 HB ILE 65 HB ILE 65 11.482 16.640 -3.522 544 HG12 ILE 65 HG12 ILE 65 11.942 19.332 -4.382 545 HG13 ILE 65 HG13 ILE 65 12.172 19.254 -2.638 546 HG21 ILE 65 HG21 ILE 65 10.469 18.409 -5.358 547 HG22 ILE 65 HG22 ILE 65 9.133 18.211 -4.224 548 HG23 ILE 65 HG23 ILE 65 9.835 16.800 -5.014 549 HD11 ILE 65 HD11 ILE 65 14.255 18.878 -3.811 550 HD12 ILE 65 HD12 ILE 65 13.540 17.522 -4.683 551 HD13 ILE 65 HD13 ILE 65 13.765 17.428 -2.936 552 H VAL 66 H VAL 66 8.306 18.282 -0.741 553 HA VAL 66 HA VAL 66 8.508 21.147 -0.776 554 HB VAL 66 HB VAL 66 6.110 19.871 -2.115 555 HG11 VAL 66 HG11 VAL 66 6.839 22.686 -1.410 556 HG12 VAL 66 HG12 VAL 66 5.330 21.819 -1.128 557 HG13 VAL 66 HG13 VAL 66 5.753 22.347 -2.757 558 HG21 VAL 66 HG21 VAL 66 6.938 21.037 -4.166 559 HG22 VAL 66 HG22 VAL 66 7.941 19.687 -3.637 560 HG23 VAL 66 HG23 VAL 66 8.450 21.345 -3.312 561 H ALA 67 H ALA 67 6.664 22.108 0.509 562 HA ALA 67 HA ALA 67 6.358 20.882 2.964 563 HB1 ALA 67 HB1 ALA 67 4.925 22.618 3.546 564 HB2 ALA 67 HB2 ALA 67 4.267 22.754 1.915 565 HB3 ALA 67 HB3 ALA 67 5.903 23.318 2.256 566 H ARG 68 H ARG 68 5.759 18.709 2.662 567 HA ARG 68 HA ARG 68 2.921 18.258 2.651 568 HB2 ARG 68 HB2 ARG 68 3.982 18.228 0.177 569 HB3 ARG 68 HB3 ARG 68 4.294 16.562 0.642 570 HG2 ARG 68 HG2 ARG 68 2.213 16.641 -0.515 571 HG3 ARG 68 HG3 ARG 68 1.881 16.326 1.190 572 HD2 ARG 68 HD2 ARG 68 0.892 18.346 1.513 573 HD3 ARG 68 HD3 ARG 68 1.915 19.158 0.328 574 HE ARG 68 HE ARG 68 0.156 17.351 -0.956 575 HH11 ARG 68 HH11 ARG 68 0.210 20.460 0.628 576 HH12 ARG 68 HH12 ARG 68 -1.144 21.075 -0.258 577 HH21 ARG 68 HH21 ARG 68 -1.626 18.159 -2.123 578 HH22 ARG 68 HH22 ARG 68 -2.187 19.769 -1.820 579 H ASN 69 H ASN 69 4.410 17.845 4.757 580 HA ASN 69 HA ASN 69 5.963 15.695 5.221 581 HB2 ASN 69 HB2 ASN 69 4.795 15.497 7.473 582 HB3 ASN 69 HB3 ASN 69 5.424 17.088 7.058 583 HD21 ASN 69 HD21 ASN 69 3.052 15.841 8.655 584 HD22 ASN 69 HD22 ASN 69 1.737 16.880 8.236 585 H VAL 70 H VAL 70 5.748 13.503 5.659 586 HA VAL 70 HA VAL 70 4.005 12.045 4.084 587 HB VAL 70 HB VAL 70 6.090 11.114 4.972 588 HG11 VAL 70 HG11 VAL 70 4.684 10.718 7.598 589 HG12 VAL 70 HG12 VAL 70 5.738 12.097 7.284 590 HG13 VAL 70 HG13 VAL 70 6.386 10.457 7.215 591 HG21 VAL 70 HG21 VAL 70 5.268 8.865 5.456 592 HG22 VAL 70 HG22 VAL 70 4.365 9.604 4.133 593 HG23 VAL 70 HG23 VAL 70 3.653 9.513 5.744 594 H ASP 71 H ASP 71 3.483 13.366 7.228 595 HA ASP 71 HA ASP 71 1.442 11.689 8.144 596 HB2 ASP 71 HB2 ASP 71 2.714 13.904 9.134 597 HB3 ASP 71 HB3 ASP 71 1.096 14.524 8.817 598 H VAL 72 H VAL 72 1.098 14.844 6.604 599 HA VAL 72 HA VAL 72 -1.666 14.733 6.229 600 HB VAL 72 HB VAL 72 0.304 16.149 4.429 601 HG11 VAL 72 HG11 VAL 72 -1.885 17.735 4.572 602 HG12 VAL 72 HG12 VAL 72 -2.625 16.137 4.675 603 HG13 VAL 72 HG13 VAL 72 -1.601 16.548 3.299 604 HG21 VAL 72 HG21 VAL 72 0.628 17.748 5.973 605 HG22 VAL 72 HG22 VAL 72 0.130 16.504 7.120 606 HG23 VAL 72 HG23 VAL 72 -1.043 17.684 6.534 607 H HIS 73 H HIS 73 0.883 13.135 4.584 608 HA HIS 73 HA HIS 73 -0.514 12.624 2.148 609 HB2 HIS 73 HB2 HIS 73 2.085 11.947 3.315 610 HB3 HIS 73 HB3 HIS 73 1.403 10.653 2.334 611 HD1 HIS 73 HD1 HIS 73 0.480 14.007 1.173 612 HD2 HIS 73 HD2 HIS 73 3.566 11.302 0.525 613 HE1 HIS 73 HE1 HIS 73 1.630 14.788 -0.921 614 HE2 HIS 73 HE2 HIS 73 3.570 13.210 -1.220 615 H ILE 74 H ILE 74 -0.397 11.157 5.277 616 HA ILE 74 HA ILE 74 -1.409 8.611 4.456 617 HB ILE 74 HB ILE 74 -1.743 9.665 7.241 618 HG12 ILE 74 HG12 ILE 74 0.527 10.257 6.767 619 HG13 ILE 74 HG13 ILE 74 0.568 8.773 7.712 620 HG21 ILE 74 HG21 ILE 74 -1.333 6.964 5.995 621 HG22 ILE 74 HG22 ILE 74 -2.692 7.538 6.961 622 HG23 ILE 74 HG23 ILE 74 -1.130 7.242 7.725 623 HD11 ILE 74 HD11 ILE 74 2.112 8.310 6.095 624 HD12 ILE 74 HD12 ILE 74 1.251 9.221 4.854 625 HD13 ILE 74 HD13 ILE 74 0.657 7.639 5.358 626 H ALA 75 H ALA 75 -2.806 11.559 5.711 627 HA ALA 75 HA ALA 75 -5.450 10.501 5.882 628 HB1 ALA 75 HB1 ALA 75 -4.257 12.638 7.015 629 HB2 ALA 75 HB2 ALA 75 -6.005 12.440 6.892 630 HB3 ALA 75 HB3 ALA 75 -5.143 13.421 5.706 631 H SER 76 H SER 76 -3.557 12.126 3.488 632 HA SER 76 HA SER 76 -5.784 12.731 1.777 633 HB2 SER 76 HB2 SER 76 -3.821 14.155 1.643 634 HB3 SER 76 HB3 SER 76 -2.800 12.767 1.268 635 HG SER 76 HG SER 76 -3.960 12.533 -0.682 636 H LEU 77 H LEU 77 -3.565 10.113 2.239 637 HA LEU 77 HA LEU 77 -4.036 8.826 -0.237 638 HB2 LEU 77 HB2 LEU 77 -2.091 8.235 1.069 639 HB3 LEU 77 HB3 LEU 77 -3.104 7.732 2.411 640 HG LEU 77 HG LEU 77 -3.943 5.851 1.144 641 HD11 LEU 77 HD11 LEU 77 -2.536 7.206 -1.102 642 HD12 LEU 77 HD12 LEU 77 -4.123 6.439 -1.061 643 HD13 LEU 77 HD13 LEU 77 -2.666 5.447 -1.110 644 HD21 LEU 77 HD21 LEU 77 -2.180 4.729 1.868 645 HD22 LEU 77 HD22 LEU 77 -1.232 6.216 1.899 646 HD23 LEU 77 HD23 LEU 77 -1.272 5.225 0.440 647 H ARG 78 H ARG 78 -5.647 8.915 2.832 648 HA ARG 78 HA ARG 78 -7.301 6.677 2.592 649 HB2 ARG 78 HB2 ARG 78 -7.112 8.984 4.287 650 HB3 ARG 78 HB3 ARG 78 -8.796 8.733 3.847 651 HG2 ARG 78 HG2 ARG 78 -8.985 6.985 5.203 652 HG3 ARG 78 HG3 ARG 78 -7.501 6.254 4.592 653 HD2 ARG 78 HD2 ARG 78 -6.246 7.085 6.271 654 HD3 ARG 78 HD3 ARG 78 -7.128 8.610 6.313 655 HE ARG 78 HE ARG 78 -7.640 6.263 7.894 656 HH11 ARG 78 HH11 ARG 78 -9.016 9.190 6.584 657 HH12 ARG 78 HH12 ARG 78 -10.257 9.295 7.788 658 HH21 ARG 78 HH21 ARG 78 -9.273 6.396 9.476 659 HH22 ARG 78 HH22 ARG 78 -10.404 7.708 9.429 660 H LYS 79 H LYS 79 -7.333 9.728 1.000 661 HA LYS 79 HA LYS 79 -10.050 9.379 0.019 662 HB2 LYS 79 HB2 LYS 79 -9.232 11.627 0.678 663 HB3 LYS 79 HB3 LYS 79 -8.050 11.548 -0.621 664 HG2 LYS 79 HG2 LYS 79 -9.804 11.500 -2.274 665 HG3 LYS 79 HG3 LYS 79 -11.033 11.439 -1.010 666 HD2 LYS 79 HD2 LYS 79 -9.484 13.660 -0.372 667 HD3 LYS 79 HD3 LYS 79 -9.639 13.718 -2.129 668 HE2 LYS 79 HE2 LYS 79 -12.182 13.095 -1.356 669 HE3 LYS 79 HE3 LYS 79 -11.649 14.141 -0.040 670 HZ1 LYS 79 HZ1 LYS 79 -12.665 15.451 -1.757 671 HZ2 LYS 79 HZ2 LYS 79 -11.638 14.803 -2.935 672 HZ3 LYS 79 HZ3 LYS 79 -11.009 15.798 -1.720 673 H LYS 80 H LYS 80 -6.781 8.986 -1.039 674 HA LYS 80 HA LYS 80 -7.493 8.665 -3.804 675 HB2 LYS 80 HB2 LYS 80 -5.028 8.931 -2.264 676 HB3 LYS 80 HB3 LYS 80 -4.906 7.764 -3.572 677 HG2 LYS 80 HG2 LYS 80 -4.182 9.952 -4.307 678 HG3 LYS 80 HG3 LYS 80 -5.648 9.468 -5.162 679 HD2 LYS 80 HD2 LYS 80 -6.418 10.854 -2.801 680 HD3 LYS 80 HD3 LYS 80 -5.182 11.811 -3.619 681 HE2 LYS 80 HE2 LYS 80 -7.370 10.652 -5.262 682 HE3 LYS 80 HE3 LYS 80 -7.754 12.024 -4.224 683 HZ1 LYS 80 HZ1 LYS 80 -7.062 13.180 -6.006 684 HZ2 LYS 80 HZ2 LYS 80 -6.125 11.915 -6.623 685 HZ3 LYS 80 HZ3 LYS 80 -5.518 12.885 -5.378 686 H LEU 81 H LEU 81 -6.069 6.622 -1.324 687 HA LEU 81 HA LEU 81 -6.319 4.221 -2.838 688 HB2 LEU 81 HB2 LEU 81 -4.592 4.455 -1.157 689 HB3 LEU 81 HB3 LEU 81 -5.794 4.687 0.096 690 HG LEU 81 HG LEU 81 -6.467 2.409 0.007 691 HD11 LEU 81 HD11 LEU 81 -6.391 2.228 -2.475 692 HD12 LEU 81 HD12 LEU 81 -5.745 0.827 -1.619 693 HD13 LEU 81 HD13 LEU 81 -4.646 1.998 -2.351 694 HD21 LEU 81 HD21 LEU 81 -3.620 1.829 -0.331 695 HD22 LEU 81 HD22 LEU 81 -4.666 1.597 1.068 696 HD23 LEU 81 HD23 LEU 81 -3.955 3.179 0.752 697 H GLY 82 H GLY 82 -8.348 5.905 -0.554 698 HA2 GLY 82 HA2 GLY 82 -10.658 5.612 -0.327 699 HA3 GLY 82 HA3 GLY 82 -10.526 4.082 -1.180 700 H ALA 83 H ALA 83 -11.584 2.762 0.207 701 HA ALA 83 HA ALA 83 -11.495 2.841 2.990 702 HB1 ALA 83 HB1 ALA 83 -12.857 1.047 2.918 703 HB2 ALA 83 HB2 ALA 83 -11.828 0.178 1.779 704 HB3 ALA 83 HB3 ALA 83 -12.924 1.432 1.198 705 H TYR 84 H TYR 84 -9.163 1.699 0.762 706 HA TYR 84 HA TYR 84 -7.813 -0.005 2.672 707 HB2 TYR 84 HB2 TYR 84 -7.770 0.354 -0.184 708 HB3 TYR 84 HB3 TYR 84 -6.133 0.475 0.452 709 HD1 TYR 84 HD1 TYR 84 -9.144 -1.705 0.447 710 HD2 TYR 84 HD2 TYR 84 -4.937 -1.455 1.030 711 HE1 TYR 84 HE1 TYR 84 -9.023 -4.157 0.580 712 HE2 TYR 84 HE2 TYR 84 -4.803 -3.906 1.164 713 HH TYR 84 HH TYR 84 -6.003 -5.854 0.583 714 H GLY 85 H GLY 85 -7.675 3.268 1.521 715 HA2 GLY 85 HA2 GLY 85 -5.018 3.877 2.277 716 HA3 GLY 85 HA3 GLY 85 -6.326 5.040 2.093 717 H SER 86 H SER 86 -7.999 3.606 4.049 718 HA SER 86 HA SER 86 -7.092 4.966 6.389 719 HB2 SER 86 HB2 SER 86 -9.471 4.811 5.983 720 HB3 SER 86 HB3 SER 86 -9.392 3.050 5.939 721 HG SER 86 HG SER 86 -9.922 4.468 8.014 722 H ARG 87 H ARG 87 -6.511 1.878 5.056 723 HA ARG 87 HA ARG 87 -6.270 0.190 7.217 724 HB2 ARG 87 HB2 ARG 87 -5.689 -0.074 4.637 725 HB3 ARG 87 HB3 ARG 87 -4.053 0.126 5.255 726 HG2 ARG 87 HG2 ARG 87 -4.134 -2.073 5.580 727 HG3 ARG 87 HG3 ARG 87 -5.077 -1.677 7.009 728 HD2 ARG 87 HD2 ARG 87 -6.345 -2.119 4.321 729 HD3 ARG 87 HD3 ARG 87 -6.029 -3.445 5.439 730 HE ARG 87 HE ARG 87 -7.507 -1.233 6.562 731 HH11 ARG 87 HH11 ARG 87 -7.700 -4.314 4.930 732 HH12 ARG 87 HH12 ARG 87 -9.315 -4.635 5.466 733 HH21 ARG 87 HH21 ARG 87 -9.629 -1.656 7.265 734 HH22 ARG 87 HH22 ARG 87 -10.410 -3.127 6.791 735 H ILE 88 H ILE 88 -4.282 2.921 6.398 736 HA ILE 88 HA ILE 88 -2.014 2.283 7.959 737 HB ILE 88 HB ILE 88 -3.018 5.082 7.464 738 HG12 ILE 88 HG12 ILE 88 -3.087 4.012 5.314 739 HG13 ILE 88 HG13 ILE 88 -1.630 4.997 5.370 740 HG21 ILE 88 HG21 ILE 88 -0.462 5.407 7.278 741 HG22 ILE 88 HG22 ILE 88 -0.367 3.848 8.096 742 HG23 ILE 88 HG23 ILE 88 -1.183 5.203 8.875 743 HD11 ILE 88 HD11 ILE 88 -0.839 3.071 4.429 744 HD12 ILE 88 HD12 ILE 88 -1.919 2.038 5.364 745 HD13 ILE 88 HD13 ILE 88 -0.510 2.767 6.135 746 H VAL 89 H VAL 89 -2.929 1.405 9.894 747 HA VAL 89 HA VAL 89 -4.622 2.914 11.601 748 HB VAL 89 HB VAL 89 -2.811 0.642 12.415 749 HG11 VAL 89 HG11 VAL 89 -5.420 1.622 13.568 750 HG12 VAL 89 HG12 VAL 89 -3.822 1.907 14.257 751 HG13 VAL 89 HG13 VAL 89 -4.460 0.266 14.162 752 HG21 VAL 89 HG21 VAL 89 -4.836 -0.783 11.999 753 HG22 VAL 89 HG22 VAL 89 -4.063 -0.147 10.548 754 HG23 VAL 89 HG23 VAL 89 -5.545 0.592 11.153 755 H THR 90 H THR 90 -4.164 3.972 13.529 756 HA THR 90 HA THR 90 -1.355 4.550 14.130 757 HB THR 90 HB THR 90 -2.036 6.401 12.736 758 HG1 THR 90 HG1 THR 90 -1.682 8.065 14.187 759 HG21 THR 90 HG21 THR 90 -4.074 7.529 14.460 760 HG22 THR 90 HG22 THR 90 -4.579 6.019 13.701 761 HG23 THR 90 HG23 THR 90 -4.032 7.367 12.704 762 H LEU 91 H LEU 91 -1.388 3.455 16.053 763 HA LEU 91 HA LEU 91 -3.433 4.243 18.015 764 HB2 LEU 91 HB2 LEU 91 -1.974 1.748 17.463 765 HB3 LEU 91 HB3 LEU 91 -2.133 2.143 19.164 766 HG LEU 91 HG LEU 91 -4.681 2.512 18.410 767 HD11 LEU 91 HD11 LEU 91 -4.710 1.947 16.190 768 HD12 LEU 91 HD12 LEU 91 -5.079 0.388 16.928 769 HD13 LEU 91 HD13 LEU 91 -3.443 0.734 16.368 770 HD21 LEU 91 HD21 LEU 91 -5.146 0.320 19.307 771 HD22 LEU 91 HD22 LEU 91 -3.827 1.058 20.216 772 HD23 LEU 91 HD23 LEU 91 -3.482 -0.187 19.016 773 H ARG 92 H ARG 92 -2.874 5.571 19.594 774 HA ARG 92 HA ARG 92 -0.168 6.423 19.941 775 HB2 ARG 92 HB2 ARG 92 -1.159 7.749 21.860 776 HB3 ARG 92 HB3 ARG 92 -1.834 8.076 20.270 777 HG2 ARG 92 HG2 ARG 92 -3.812 6.893 20.754 778 HG3 ARG 92 HG3 ARG 92 -3.108 6.156 22.194 779 HD2 ARG 92 HD2 ARG 92 -2.929 8.450 23.176 780 HD3 ARG 92 HD3 ARG 92 -3.835 9.052 21.789 781 HE ARG 92 HE ARG 92 -5.753 8.191 22.704 782 HH11 ARG 92 HH11 ARG 92 -2.996 6.861 24.380 783 HH12 ARG 92 HH12 ARG 92 -3.951 6.116 25.617 784 HH21 ARG 92 HH21 ARG 92 -7.010 7.210 24.330 785 HH22 ARG 92 HH22 ARG 92 -6.229 6.312 25.589 786 H GLY 93 H GLY 93 0.791 4.349 20.465 787 HA2 GLY 93 HA2 GLY 93 1.614 3.990 23.005 788 HA3 GLY 93 HA3 GLY 93 0.092 3.113 22.989 789 H VAL 94 H VAL 94 0.521 2.401 20.116 790 HA VAL 94 HA VAL 94 2.532 0.292 20.551 791 HB VAL 94 HB VAL 94 0.255 -0.611 20.416 792 HG11 VAL 94 HG11 VAL 94 0.020 0.110 17.546 793 HG12 VAL 94 HG12 VAL 94 -0.366 1.344 18.743 794 HG13 VAL 94 HG13 VAL 94 -1.237 -0.188 18.746 795 HG21 VAL 94 HG21 VAL 94 0.961 -2.424 19.302 796 HG22 VAL 94 HG22 VAL 94 2.468 -1.528 19.113 797 HG23 VAL 94 HG23 VAL 94 1.266 -1.516 17.822 798 H GLY 95 H GLY 95 1.104 2.508 18.188 799 HA2 GLY 95 HA2 GLY 95 2.771 3.690 16.784 800 HA3 GLY 95 HA3 GLY 95 3.519 2.122 16.526 801 H TYR 96 H TYR 96 3.090 3.273 14.285 802 HA TYR 96 HA TYR 96 0.467 3.074 13.210 803 HB2 TYR 96 HB2 TYR 96 3.155 3.740 12.225 804 HB3 TYR 96 HB3 TYR 96 2.124 2.971 11.023 805 HD1 TYR 96 HD1 TYR 96 1.163 5.314 13.750 806 HD2 TYR 96 HD2 TYR 96 1.584 4.711 9.560 807 HE1 TYR 96 HE1 TYR 96 0.059 7.471 13.335 808 HE2 TYR 96 HE2 TYR 96 0.481 6.867 9.133 809 HH TYR 96 HH TYR 96 -1.260 8.355 10.543 810 H LEU 97 H LEU 97 -0.579 1.385 12.360 811 HA LEU 97 HA LEU 97 0.960 -1.025 11.679 812 HB2 LEU 97 HB2 LEU 97 -0.125 -1.231 13.922 813 HB3 LEU 97 HB3 LEU 97 -1.681 -1.039 13.137 814 HG LEU 97 HG LEU 97 0.083 -3.206 12.129 815 HD11 LEU 97 HD11 LEU 97 -1.487 -3.488 14.684 816 HD12 LEU 97 HD12 LEU 97 0.269 -3.338 14.601 817 HD13 LEU 97 HD13 LEU 97 -0.533 -4.730 13.873 818 HD21 LEU 97 HD21 LEU 97 -2.749 -3.650 12.779 819 HD22 LEU 97 HD22 LEU 97 -1.840 -4.047 11.321 820 HD23 LEU 97 HD23 LEU 97 -2.439 -2.407 11.567 821 H PHE 98 H PHE 98 0.305 -2.112 9.886 822 HA PHE 98 HA PHE 98 -1.806 -0.835 8.302 823 HB2 PHE 98 HB2 PHE 98 0.529 -1.107 7.370 824 HB3 PHE 98 HB3 PHE 98 0.247 -2.843 7.360 825 HD1 PHE 98 HD1 PHE 98 -1.119 0.356 6.059 826 HD2 PHE 98 HD2 PHE 98 -0.759 -3.851 5.529 827 HE1 PHE 98 HE1 PHE 98 -2.170 0.550 3.843 828 HE2 PHE 98 HE2 PHE 98 -1.808 -3.665 3.311 829 HZ PHE 98 HZ PHE 98 -2.515 -1.462 2.465 830 H SER 99 H SER 99 -3.319 -1.979 9.831 831 HA SER 99 HA SER 99 -3.626 -4.748 9.912 832 HB2 SER 99 HB2 SER 99 -5.617 -2.500 10.213 833 HB3 SER 99 HB3 SER 99 -6.063 -4.192 10.434 834 HG SER 99 HG SER 99 -5.342 -2.884 12.346 835 H ASP 100 H ASP 100 -3.454 -5.788 7.966 836 HA ASP 100 HA ASP 100 -5.620 -5.282 6.046 837 HB2 ASP 100 HB2 ASP 100 -2.915 -4.909 5.547 838 HB3 ASP 100 HB3 ASP 100 -3.266 -6.480 4.834 839 H ASP 101 H ASP 101 -3.114 -7.739 6.263 840 HA ASP 101 HA ASP 101 -4.933 -9.778 7.096 841 HB2 ASP 101 HB2 ASP 101 -5.265 -9.403 4.541 842 HB3 ASP 101 HB3 ASP 101 -3.725 -10.243 4.388 843 H GLY 102 H GLY 102 -1.969 -9.704 5.113 844 HA2 GLY 102 HA2 GLY 102 0.169 -9.992 6.384 845 HA3 GLY 102 HA3 GLY 102 -0.658 -11.286 7.238 846 H ASP 103 H ASP 103 -2.011 -12.173 4.754 847 HA ASP 103 HA ASP 103 -0.133 -14.108 3.947 848 HB2 ASP 103 HB2 ASP 103 -2.825 -13.899 3.755 849 HB3 ASP 103 HB3 ASP 103 -2.366 -13.524 2.097 850 H LYS 104 H LYS 104 1.229 -14.244 2.230 851 HA LYS 104 HA LYS 104 2.146 -11.888 1.012 852 HB2 LYS 104 HB2 LYS 104 3.383 -13.572 -0.473 853 HB3 LYS 104 HB3 LYS 104 3.735 -13.587 1.243 854 HG2 LYS 104 HG2 LYS 104 1.566 -15.382 0.533 855 HG3 LYS 104 HG3 LYS 104 3.067 -15.758 -0.316 856 HD2 LYS 104 HD2 LYS 104 4.258 -16.014 1.719 857 HD3 LYS 104 HD3 LYS 104 2.941 -15.306 2.658 858 HE2 LYS 104 HE2 LYS 104 1.744 -17.228 2.678 859 HE3 LYS 104 HE3 LYS 104 2.267 -17.695 1.061 860 HZ1 LYS 104 HZ1 LYS 104 4.253 -18.569 1.882 861 HZ2 LYS 104 HZ2 LYS 104 3.091 -19.084 2.997 862 HZ3 LYS 104 HZ3 LYS 104 4.106 -17.785 3.374 863 H LYS 105 H LYS 105 2.484 -11.935 -1.507 864 HA LYS 105 HA LYS 105 -0.008 -11.440 -2.688 865 HB2 LYS 105 HB2 LYS 105 2.269 -10.534 -3.380 866 HB3 LYS 105 HB3 LYS 105 2.519 -12.063 -4.211 867 HG2 LYS 105 HG2 LYS 105 0.281 -11.531 -5.381 868 HG3 LYS 105 HG3 LYS 105 0.570 -9.882 -4.824 869 HD2 LYS 105 HD2 LYS 105 1.565 -9.837 -6.902 870 HD3 LYS 105 HD3 LYS 105 2.936 -10.257 -5.873 871 HE2 LYS 105 HE2 LYS 105 1.247 -12.384 -7.140 872 HE3 LYS 105 HE3 LYS 105 2.547 -11.604 -8.041 873 HZ1 LYS 105 HZ1 LYS 105 3.725 -13.284 -7.134 874 HZ2 LYS 105 HZ2 LYS 105 2.693 -13.465 -5.806 875 HZ3 LYS 105 HZ3 LYS 105 3.840 -12.222 -5.822 876 H PHE 106 H PHE 106 -1.341 -12.613 -3.979 877 HA PHE 106 HA PHE 106 -1.301 -15.425 -3.768 878 HB2 PHE 106 HB2 PHE 106 -3.202 -13.565 -4.396 879 HB3 PHE 106 HB3 PHE 106 -2.911 -14.308 -5.964 880 HD1 PHE 106 HD1 PHE 106 -3.687 -15.145 -2.428 881 HD2 PHE 106 HD2 PHE 106 -3.948 -16.306 -6.513 882 HE1 PHE 106 HE1 PHE 106 -5.137 -17.029 -1.795 883 HE2 PHE 106 HE2 PHE 106 -5.400 -18.192 -5.889 884 HZ PHE 106 HZ PHE 106 -5.996 -18.555 -3.527 885 H SER 107 H SER 107 -1.096 -17.006 -5.431 886 HA SER 107 HA SER 107 1.169 -16.714 -7.044 887 HB2 SER 107 HB2 SER 107 0.922 -18.934 -7.422 888 HB3 SER 107 HB3 SER 107 -0.331 -18.823 -6.191 889 HG SER 107 HG SER 107 -1.053 -19.863 -8.114 890 H GLN 108 H GLN 108 1.425 -16.547 -9.290 891 HA GLN 108 HA GLN 108 -0.369 -14.767 -10.569 892 HB2 GLN 108 HB2 GLN 108 2.155 -14.984 -10.924 893 HB3 GLN 108 HB3 GLN 108 1.778 -16.354 -11.960 894 HG2 GLN 108 HG2 GLN 108 2.097 -14.348 -13.273 895 HG3 GLN 108 HG3 GLN 108 0.429 -14.906 -13.389 896 HE21 GLN 108 HE21 GLN 108 -0.744 -13.136 -13.671 897 HE22 GLN 108 HE22 GLN 108 -0.691 -11.724 -12.676 898 H GLN 109 H GLN 109 0.101 -18.230 -10.681 899 HA GLN 109 HA GLN 109 -2.318 -18.462 -12.272 900 HB2 GLN 109 HB2 GLN 109 -0.173 -18.674 -13.684 901 HB3 GLN 109 HB3 GLN 109 0.042 -20.219 -12.872 902 HG2 GLN 109 HG2 GLN 109 -2.505 -20.474 -13.690 903 HG3 GLN 109 HG3 GLN 109 -1.875 -19.421 -14.956 904 HE21 GLN 109 HE21 GLN 109 -1.051 -22.377 -13.181 905 HE22 GLN 109 HE22 GLN 109 -0.370 -23.207 -14.535 906 H ASP 110 H ASP 110 -3.492 -20.382 -11.958 907 HA ASP 110 HA ASP 110 -2.509 -22.245 -9.941 908 HB2 ASP 110 HB2 ASP 110 -4.176 -20.207 -9.187 909 HB3 ASP 110 HB3 ASP 110 -5.316 -21.505 -9.526 910 H THR 111 H THR 111 -5.598 -21.576 -11.491 911 HA THR 111 HA THR 111 -6.354 -24.221 -11.898 912 HB THR 111 HB THR 111 -7.680 -23.052 -13.905 913 HG1 THR 111 HG1 THR 111 -7.461 -20.980 -13.951 914 HG21 THR 111 HG21 THR 111 -8.182 -22.651 -10.974 915 HG22 THR 111 HG22 THR 111 -8.891 -23.856 -12.048 916 HG23 THR 111 HG23 THR 111 -9.317 -22.155 -12.229 917 H LYS 112 H LYS 112 -6.942 -24.786 -14.428 918 HA LYS 112 HA LYS 112 -4.744 -24.349 -16.206 919 HB2 LYS 112 HB2 LYS 112 -4.714 -26.634 -14.451 920 HB3 LYS 112 HB3 LYS 112 -4.822 -27.163 -16.123 921 HG2 LYS 112 HG2 LYS 112 -2.696 -26.661 -16.517 922 HG3 LYS 112 HG3 LYS 112 -2.861 -25.061 -15.790 923 HD2 LYS 112 HD2 LYS 112 -2.428 -25.908 -13.616 924 HD3 LYS 112 HD3 LYS 112 -2.595 -27.579 -14.160 925 HE2 LYS 112 HE2 LYS 112 -0.597 -27.265 -15.589 926 HE3 LYS 112 HE3 LYS 112 -0.411 -25.644 -14.923 927 HZ1 LYS 112 HZ1 LYS 112 -0.461 -26.956 -12.678 928 HZ2 LYS 112 HZ2 LYS 112 0.971 -26.822 -13.568 929 HZ3 LYS 112 HZ3 LYS 112 0.055 -28.241 -13.650 930 H LEU 113 H LEU 113 -6.761 -23.532 -17.217 931 HA LEU 113 HA LEU 113 -8.793 -25.304 -18.066 932 HB2 LEU 113 HB2 LEU 113 -8.432 -22.580 -18.068 933 HB3 LEU 113 HB3 LEU 113 -8.338 -22.971 -19.774 934 HG LEU 113 HG LEU 113 -10.542 -24.080 -19.625 935 HD11 LEU 113 HD11 LEU 113 -10.170 -23.433 -16.761 936 HD12 LEU 113 HD12 LEU 113 -10.963 -24.812 -17.521 937 HD13 LEU 113 HD13 LEU 113 -11.794 -23.260 -17.426 938 HD21 LEU 113 HD21 LEU 113 -11.084 -21.420 -18.474 939 HD22 LEU 113 HD22 LEU 113 -11.642 -22.143 -19.983 940 HD23 LEU 113 HD23 LEU 113 -10.021 -21.455 -19.881 941 H SER 114 H SER 114 -9.227 -25.164 -20.655 942 HA SER 114 HA SER 114 -6.892 -25.620 -22.238 943 HB2 SER 114 HB2 SER 114 -7.271 -27.789 -20.929 944 HB3 SER 114 HB3 SER 114 -8.725 -27.990 -21.907 945 HG SER 114 HG SER 114 -7.519 -28.610 -23.504 946 H LEU 115 H LEU 115 -7.802 -26.835 -24.411 947 HA LEU 115 HA LEU 115 -9.402 -24.925 -25.673 948 HB2 LEU 115 HB2 LEU 115 -8.273 -27.563 -26.338 949 HB3 LEU 115 HB3 LEU 115 -9.686 -27.109 -27.264 950 HG LEU 115 HG LEU 115 -8.605 -25.370 -28.336 951 HD11 LEU 115 HD11 LEU 115 -7.789 -23.969 -26.704 952 HD12 LEU 115 HD12 LEU 115 -6.293 -24.585 -27.405 953 HD13 LEU 115 HD13 LEU 115 -6.899 -25.255 -25.891 954 HD21 LEU 115 HD21 LEU 115 -6.562 -27.490 -27.733 955 HD22 LEU 115 HD22 LEU 115 -6.283 -26.196 -28.898 956 HD23 LEU 115 HD23 LEU 115 -7.599 -27.342 -29.152 957 H GLU 116 H GLU 116 -11.547 -24.936 -26.355 958 HA GLU 116 HA GLU 116 -13.787 -25.286 -26.185 959 HB2 GLU 116 HB2 GLU 116 -12.869 -28.117 -25.661 960 HB3 GLU 116 HB3 GLU 116 -14.547 -27.657 -25.911 961 HG2 GLU 116 HG2 GLU 116 -14.178 -27.088 -28.149 962 HG3 GLU 116 HG3 GLU 116 -12.429 -27.034 -27.936 Start of MODEL 13 1 H1 HIS 1 H1 HIS 1 10.068 -16.216 2.396 2 H2 HIS 1 H2 HIS 1 10.037 -16.621 0.728 3 H3 HIS 1 H3 HIS 1 8.724 -17.057 1.745 4 HA HIS 1 HA HIS 1 9.536 -14.392 0.824 5 HB2 HIS 1 HB2 HIS 1 7.427 -16.358 0.252 6 HB3 HIS 1 HB3 HIS 1 6.823 -14.724 0.510 7 HD1 HIS 1 HD1 HIS 1 9.480 -16.456 -1.595 8 HD2 HIS 1 HD2 HIS 1 6.916 -13.189 -1.717 9 HE1 HIS 1 HE1 HIS 1 9.771 -15.458 -3.885 10 HE2 HIS 1 HE2 HIS 1 8.270 -13.434 -3.906 11 H SER 2 H SER 2 9.702 -13.067 2.532 12 HA SER 2 HA SER 2 7.662 -13.253 4.646 13 HB2 SER 2 HB2 SER 2 10.493 -12.207 4.692 14 HB3 SER 2 HB3 SER 2 9.341 -11.877 5.985 15 HG SER 2 HG SER 2 10.267 -14.412 5.111 16 H VAL 3 H VAL 3 9.102 -11.196 2.244 17 HA VAL 3 HA VAL 3 7.385 -8.968 3.118 18 HB VAL 3 HB VAL 3 8.904 -7.605 1.553 19 HG11 VAL 3 HG11 VAL 3 10.144 -8.738 4.055 20 HG12 VAL 3 HG12 VAL 3 8.887 -7.501 4.035 21 HG13 VAL 3 HG13 VAL 3 10.465 -7.166 3.322 22 HG21 VAL 3 HG21 VAL 3 10.680 -10.006 1.985 23 HG22 VAL 3 HG22 VAL 3 11.160 -8.480 1.243 24 HG23 VAL 3 HG23 VAL 3 9.971 -9.512 0.448 25 HA PRO 4 HA PRO 4 5.153 -10.462 -0.600 26 HB2 PRO 4 HB2 PRO 4 3.199 -8.500 0.456 27 HB3 PRO 4 HB3 PRO 4 2.958 -10.184 -0.019 28 HG2 PRO 4 HG2 PRO 4 2.976 -9.467 2.555 29 HG3 PRO 4 HG3 PRO 4 3.684 -11.003 2.021 30 HD2 PRO 4 HD2 PRO 4 5.043 -8.450 2.778 31 HD3 PRO 4 HD3 PRO 4 5.524 -10.126 3.111 32 H GLU 5 H GLU 5 3.660 -8.913 -2.097 33 HA GLU 5 HA GLU 5 4.969 -6.343 -2.494 34 HB2 GLU 5 HB2 GLU 5 5.607 -8.634 -4.030 35 HB3 GLU 5 HB3 GLU 5 4.669 -7.564 -5.061 36 HG2 GLU 5 HG2 GLU 5 6.298 -5.737 -4.184 37 HG3 GLU 5 HG3 GLU 5 7.322 -7.114 -3.779 38 H SER 6 H SER 6 2.916 -8.323 -4.542 39 HA SER 6 HA SER 6 1.072 -6.130 -4.905 40 HB2 SER 6 HB2 SER 6 1.866 -8.112 -6.563 41 HB3 SER 6 HB3 SER 6 0.367 -8.811 -5.953 42 HG SER 6 HG SER 6 0.110 -7.488 -7.853 43 H ILE 7 H ILE 7 -1.285 -6.443 -4.661 44 HA ILE 7 HA ILE 7 -2.118 -8.436 -2.721 45 HB ILE 7 HB ILE 7 -1.315 -6.606 -1.301 46 HG12 ILE 7 HG12 ILE 7 -4.082 -6.118 -0.726 47 HG13 ILE 7 HG13 ILE 7 -3.897 -7.788 -1.251 48 HG21 ILE 7 HG21 ILE 7 -2.373 -4.421 -1.330 49 HG22 ILE 7 HG22 ILE 7 -3.393 -4.914 -2.681 50 HG23 ILE 7 HG23 ILE 7 -1.649 -4.776 -2.898 51 HD11 ILE 7 HD11 ILE 7 -3.556 -8.023 0.983 52 HD12 ILE 7 HD12 ILE 7 -2.833 -6.424 1.157 53 HD13 ILE 7 HD13 ILE 7 -1.896 -7.744 0.456 54 H ARG 8 H ARG 8 -4.107 -9.133 -3.177 55 HA ARG 8 HA ARG 8 -5.796 -7.453 -4.911 56 HB2 ARG 8 HB2 ARG 8 -5.325 -10.412 -4.833 57 HB3 ARG 8 HB3 ARG 8 -6.843 -9.784 -5.459 58 HG2 ARG 8 HG2 ARG 8 -5.916 -9.197 -7.391 59 HG3 ARG 8 HG3 ARG 8 -4.552 -8.416 -6.589 60 HD2 ARG 8 HD2 ARG 8 -3.218 -10.193 -6.881 61 HD3 ARG 8 HD3 ARG 8 -4.487 -11.332 -6.432 62 HE ARG 8 HE ARG 8 -5.239 -10.546 -8.899 63 HH11 ARG 8 HH11 ARG 8 -2.219 -11.741 -7.620 64 HH12 ARG 8 HH12 ARG 8 -1.736 -12.476 -9.111 65 HH21 ARG 8 HH21 ARG 8 -4.605 -11.516 -10.860 66 HH22 ARG 8 HH22 ARG 8 -3.089 -12.349 -10.950 67 H PHE 9 H PHE 9 -6.871 -6.430 -3.200 68 HA PHE 9 HA PHE 9 -8.315 -8.083 -1.286 69 HB2 PHE 9 HB2 PHE 9 -9.032 -5.848 -0.353 70 HB3 PHE 9 HB3 PHE 9 -7.299 -6.152 -0.322 71 HD1 PHE 9 HD1 PHE 9 -9.985 -4.201 -1.859 72 HD2 PHE 9 HD2 PHE 9 -5.788 -4.884 -1.702 73 HE1 PHE 9 HE1 PHE 9 -9.601 -2.090 -3.063 74 HE2 PHE 9 HE2 PHE 9 -5.395 -2.774 -2.904 75 HZ PHE 9 HZ PHE 9 -7.303 -1.374 -3.587 76 H GLY 10 H GLY 10 -10.233 -8.877 -1.823 77 HA2 GLY 10 HA2 GLY 10 -12.350 -9.049 -2.695 78 HA3 GLY 10 HA3 GLY 10 -12.394 -7.292 -2.662 79 HA PRO 11 HA PRO 11 -12.599 -8.286 -7.108 80 HB2 PRO 11 HB2 PRO 11 -14.044 -6.131 -7.832 81 HB3 PRO 11 HB3 PRO 11 -14.786 -7.553 -7.090 82 HG2 PRO 11 HG2 PRO 11 -14.027 -4.942 -5.838 83 HG3 PRO 11 HG3 PRO 11 -15.497 -5.907 -5.610 84 HD2 PRO 11 HD2 PRO 11 -13.402 -5.923 -3.861 85 HD3 PRO 11 HD3 PRO 11 -14.492 -7.305 -4.093 86 H ASN 12 H ASN 12 -11.047 -5.887 -5.334 87 HA ASN 12 HA ASN 12 -10.002 -4.517 -7.700 88 HB2 ASN 12 HB2 ASN 12 -9.670 -3.903 -4.756 89 HB3 ASN 12 HB3 ASN 12 -8.999 -2.942 -6.070 90 HD21 ASN 12 HD21 ASN 12 -10.277 -1.277 -4.915 91 HD22 ASN 12 HD22 ASN 12 -11.929 -1.069 -5.374 92 H VAL 13 H VAL 13 -7.738 -4.258 -8.015 93 HA VAL 13 HA VAL 13 -6.026 -6.186 -6.606 94 HB VAL 13 HB VAL 13 -6.019 -5.814 -9.606 95 HG11 VAL 13 HG11 VAL 13 -4.096 -6.883 -7.779 96 HG12 VAL 13 HG12 VAL 13 -3.998 -6.728 -9.533 97 HG13 VAL 13 HG13 VAL 13 -4.700 -8.176 -8.814 98 HG21 VAL 13 HG21 VAL 13 -7.925 -7.063 -9.324 99 HG22 VAL 13 HG22 VAL 13 -7.341 -7.821 -7.843 100 HG23 VAL 13 HG23 VAL 13 -6.709 -8.337 -9.407 101 H PHE 14 H PHE 14 -4.248 -5.226 -5.853 102 HA PHE 14 HA PHE 14 -3.459 -2.649 -7.017 103 HB2 PHE 14 HB2 PHE 14 -4.007 -2.764 -4.571 104 HB3 PHE 14 HB3 PHE 14 -2.617 -3.824 -4.363 105 HD1 PHE 14 HD1 PHE 14 -0.330 -2.925 -5.022 106 HD2 PHE 14 HD2 PHE 14 -3.757 -0.451 -4.531 107 HE1 PHE 14 HE1 PHE 14 1.130 -0.961 -4.759 108 HE2 PHE 14 HE2 PHE 14 -2.304 1.517 -4.269 109 HZ PHE 14 HZ PHE 14 0.143 1.263 -4.382 110 H TYR 15 H TYR 15 -2.088 -3.098 -8.659 111 HA TYR 15 HA TYR 15 -0.044 -5.124 -8.394 112 HB2 TYR 15 HB2 TYR 15 -0.722 -3.166 -10.592 113 HB3 TYR 15 HB3 TYR 15 0.640 -4.277 -10.684 114 HD1 TYR 15 HD1 TYR 15 0.109 -6.793 -10.427 115 HD2 TYR 15 HD2 TYR 15 -2.832 -3.847 -11.306 116 HE1 TYR 15 HE1 TYR 15 -1.374 -8.545 -11.306 117 HE2 TYR 15 HE2 TYR 15 -4.324 -5.592 -12.188 118 HH TYR 15 HH TYR 15 -4.559 -8.208 -11.748 119 H VAL 16 H VAL 16 1.764 -4.740 -7.312 120 HA VAL 16 HA VAL 16 2.653 -2.085 -6.710 121 HB VAL 16 HB VAL 16 4.703 -3.359 -5.793 122 HG11 VAL 16 HG11 VAL 16 2.680 -2.454 -4.541 123 HG12 VAL 16 HG12 VAL 16 3.601 -3.736 -3.754 124 HG13 VAL 16 HG13 VAL 16 2.074 -4.110 -4.552 125 HG21 VAL 16 HG21 VAL 16 2.958 -5.759 -5.730 126 HG22 VAL 16 HG22 VAL 16 4.718 -5.634 -5.702 127 HG23 VAL 16 HG23 VAL 16 3.843 -5.430 -7.220 128 H LEU 17 H LEU 17 2.976 -3.934 -9.453 129 HA LEU 17 HA LEU 17 5.588 -2.762 -10.126 130 HB2 LEU 17 HB2 LEU 17 4.145 -4.986 -11.562 131 HB3 LEU 17 HB3 LEU 17 5.794 -4.454 -11.828 132 HG LEU 17 HG LEU 17 5.359 -5.261 -9.069 133 HD11 LEU 17 HD11 LEU 17 5.093 -7.447 -11.116 134 HD12 LEU 17 HD12 LEU 17 3.708 -6.733 -10.290 135 HD13 LEU 17 HD13 LEU 17 4.954 -7.567 -9.362 136 HD21 LEU 17 HD21 LEU 17 7.470 -5.003 -10.712 137 HD22 LEU 17 HD22 LEU 17 7.185 -6.737 -10.854 138 HD23 LEU 17 HD23 LEU 17 7.476 -6.019 -9.270 139 H LYS 18 H LYS 18 2.221 -2.901 -11.008 140 HA LYS 18 HA LYS 18 2.740 -1.171 -13.329 141 HB2 LYS 18 HB2 LYS 18 0.177 -2.617 -12.652 142 HB3 LYS 18 HB3 LYS 18 0.574 -1.809 -14.162 143 HG2 LYS 18 HG2 LYS 18 2.406 -3.469 -14.485 144 HG3 LYS 18 HG3 LYS 18 1.799 -4.328 -13.067 145 HD2 LYS 18 HD2 LYS 18 -0.219 -4.879 -14.127 146 HD3 LYS 18 HD3 LYS 18 0.016 -3.670 -15.392 147 HE2 LYS 18 HE2 LYS 18 0.429 -5.831 -16.335 148 HE3 LYS 18 HE3 LYS 18 1.970 -4.987 -16.195 149 HZ1 LYS 18 HZ1 LYS 18 2.190 -7.261 -15.469 150 HZ2 LYS 18 HZ2 LYS 18 0.941 -7.069 -14.344 151 HZ3 LYS 18 HZ3 LYS 18 2.394 -6.227 -14.145 152 H LEU 19 H LEU 19 1.170 -1.339 -10.230 153 HA LEU 19 HA LEU 19 0.166 0.226 -8.925 154 HB2 LEU 19 HB2 LEU 19 1.482 2.100 -10.890 155 HB3 LEU 19 HB3 LEU 19 0.663 2.627 -9.432 156 HG LEU 19 HG LEU 19 2.893 0.645 -9.224 157 HD11 LEU 19 HD11 LEU 19 4.288 2.084 -10.213 158 HD12 LEU 19 HD12 LEU 19 4.113 3.043 -8.743 159 HD13 LEU 19 HD13 LEU 19 3.120 3.404 -10.155 160 HD21 LEU 19 HD21 LEU 19 3.123 2.341 -7.149 161 HD22 LEU 19 HD22 LEU 19 2.106 0.900 -7.124 162 HD23 LEU 19 HD23 LEU 19 1.394 2.477 -7.466 163 H THR 20 H THR 20 -1.479 -1.002 -10.722 164 HA THR 20 HA THR 20 -3.353 1.161 -11.403 165 HB THR 20 HB THR 20 -2.933 -1.343 -13.044 166 HG1 THR 20 HG1 THR 20 -2.111 1.323 -13.549 167 HG21 THR 20 HG21 THR 20 -4.328 1.106 -14.006 168 HG22 THR 20 HG22 THR 20 -5.203 -0.085 -13.043 169 HG23 THR 20 HG23 THR 20 -4.457 -0.560 -14.569 170 H VAL 21 H VAL 21 -5.084 0.974 -10.155 171 HA VAL 21 HA VAL 21 -5.753 -1.497 -8.849 172 HB VAL 21 HB VAL 21 -7.385 1.040 -8.903 173 HG11 VAL 21 HG11 VAL 21 -7.271 -0.868 -6.618 174 HG12 VAL 21 HG12 VAL 21 -8.246 -1.280 -8.029 175 HG13 VAL 21 HG13 VAL 21 -8.576 0.202 -7.130 176 HG21 VAL 21 HG21 VAL 21 -4.796 0.836 -7.979 177 HG22 VAL 21 HG22 VAL 21 -5.765 0.580 -6.529 178 HG23 VAL 21 HG23 VAL 21 -5.981 2.045 -7.485 179 H GLU 22 H GLU 22 -6.663 -3.069 -10.016 180 HA GLU 22 HA GLU 22 -8.355 -2.540 -12.270 181 HB2 GLU 22 HB2 GLU 22 -7.266 -4.956 -10.922 182 HB3 GLU 22 HB3 GLU 22 -8.725 -5.162 -11.882 183 HG2 GLU 22 HG2 GLU 22 -6.600 -3.635 -13.200 184 HG3 GLU 22 HG3 GLU 22 -6.197 -5.314 -12.844 185 H THR 23 H THR 23 -10.222 -1.531 -11.701 186 HA THR 23 HA THR 23 -11.786 -2.383 -9.443 187 HB THR 23 HB THR 23 -13.419 -0.750 -10.975 188 HG1 THR 23 HG1 THR 23 -10.789 0.273 -11.165 189 HG21 THR 23 HG21 THR 23 -11.404 0.084 -8.904 190 HG22 THR 23 HG22 THR 23 -13.064 -0.434 -8.609 191 HG23 THR 23 HG23 THR 23 -12.750 1.068 -9.479 192 HA PRO 24 HA PRO 24 -14.542 -5.157 -11.477 193 HB2 PRO 24 HB2 PRO 24 -16.942 -4.620 -10.405 194 HB3 PRO 24 HB3 PRO 24 -15.617 -5.275 -9.439 195 HG2 PRO 24 HG2 PRO 24 -16.613 -2.469 -9.632 196 HG3 PRO 24 HG3 PRO 24 -16.090 -3.378 -8.203 197 HD2 PRO 24 HD2 PRO 24 -14.528 -1.568 -9.547 198 HD3 PRO 24 HD3 PRO 24 -13.887 -2.888 -8.557 199 H GLU 25 H GLU 25 -14.712 -1.904 -12.216 200 HA GLU 25 HA GLU 25 -16.433 -2.457 -14.514 201 HB2 GLU 25 HB2 GLU 25 -17.496 -1.155 -12.402 202 HB3 GLU 25 HB3 GLU 25 -16.796 0.206 -13.268 203 HG2 GLU 25 HG2 GLU 25 -18.057 -0.381 -15.255 204 HG3 GLU 25 HG3 GLU 25 -18.723 -1.791 -14.433 205 H GLY 26 H GLY 26 -13.550 -2.152 -14.149 206 HA2 GLY 26 HA2 GLY 26 -12.542 -1.098 -16.290 207 HA3 GLY 26 HA3 GLY 26 -13.034 0.400 -15.514 208 H SER 27 H SER 27 -11.190 1.365 -14.929 209 HA SER 27 HA SER 27 -9.455 -0.059 -13.054 210 HB2 SER 27 HB2 SER 27 -8.584 1.198 -15.645 211 HB3 SER 27 HB3 SER 27 -7.471 1.072 -14.283 212 HG SER 27 HG SER 27 -7.205 -0.761 -15.480 213 H VAL 28 H VAL 28 -7.959 1.438 -11.911 214 HA VAL 28 HA VAL 28 -8.882 4.218 -11.859 215 HB VAL 28 HB VAL 28 -8.578 2.573 -9.345 216 HG11 VAL 28 HG11 VAL 28 -8.888 4.458 -8.158 217 HG12 VAL 28 HG12 VAL 28 -10.043 5.120 -9.315 218 HG13 VAL 28 HG13 VAL 28 -8.312 5.253 -9.623 219 HG21 VAL 28 HG21 VAL 28 -10.596 1.753 -9.863 220 HG22 VAL 28 HG22 VAL 28 -10.856 2.945 -11.135 221 HG23 VAL 28 HG23 VAL 28 -11.200 3.359 -9.456 222 H HIS 29 H HIS 29 -7.054 5.237 -12.422 223 HA HIS 29 HA HIS 29 -4.450 4.315 -11.746 224 HB2 HIS 29 HB2 HIS 29 -3.773 6.646 -12.559 225 HB3 HIS 29 HB3 HIS 29 -4.587 5.602 -13.719 226 HD1 HIS 29 HD1 HIS 29 -6.677 7.297 -11.156 227 HD2 HIS 29 HD2 HIS 29 -5.498 7.901 -15.095 228 HE1 HIS 29 HE1 HIS 29 -8.188 9.101 -12.041 229 HE2 HIS 29 HE2 HIS 29 -7.409 9.501 -14.403 230 H LEU 30 H LEU 30 -2.858 5.852 -10.623 231 HA LEU 30 HA LEU 30 -3.870 7.574 -8.585 232 HB2 LEU 30 HB2 LEU 30 -2.920 6.123 -6.706 233 HB3 LEU 30 HB3 LEU 30 -4.487 5.689 -7.362 234 HG LEU 30 HG LEU 30 -3.405 3.934 -8.731 235 HD11 LEU 30 HD11 LEU 30 -1.226 4.445 -9.131 236 HD12 LEU 30 HD12 LEU 30 -1.009 3.378 -7.744 237 HD13 LEU 30 HD13 LEU 30 -0.974 5.127 -7.524 238 HD21 LEU 30 HD21 LEU 30 -4.355 3.248 -6.660 239 HD22 LEU 30 HD22 LEU 30 -2.970 3.856 -5.753 240 HD23 LEU 30 HD23 LEU 30 -2.787 2.452 -6.805 241 H THR 31 H THR 31 -2.100 8.272 -7.071 242 HA THR 31 HA THR 31 0.311 8.705 -8.614 243 HB THR 31 HB THR 31 0.667 9.908 -6.130 244 HG1 THR 31 HG1 THR 31 -2.029 10.260 -6.918 245 HG21 THR 31 HG21 THR 31 -0.318 10.902 -8.762 246 HG22 THR 31 HG22 THR 31 1.210 11.218 -7.938 247 HG23 THR 31 HG23 THR 31 -0.276 11.977 -7.365 248 HA PRO 32 HA PRO 32 2.248 5.060 -6.816 249 HB2 PRO 32 HB2 PRO 32 4.632 6.590 -7.755 250 HB3 PRO 32 HB3 PRO 32 4.237 4.881 -7.974 251 HG2 PRO 32 HG2 PRO 32 3.919 6.627 -9.965 252 HG3 PRO 32 HG3 PRO 32 2.766 5.305 -9.710 253 HD2 PRO 32 HD2 PRO 32 2.469 8.209 -9.151 254 HD3 PRO 32 HD3 PRO 32 1.241 7.010 -9.598 255 H SER 33 H SER 33 3.001 8.384 -6.126 256 HA SER 33 HA SER 33 4.749 7.853 -3.941 257 HB2 SER 33 HB2 SER 33 3.894 10.356 -3.404 258 HB3 SER 33 HB3 SER 33 5.137 10.004 -4.604 259 HG SER 33 HG SER 33 2.739 11.111 -4.971 260 H GLU 34 H GLU 34 1.331 8.498 -4.261 261 HA GLU 34 HA GLU 34 0.892 8.400 -1.418 262 HB2 GLU 34 HB2 GLU 34 -1.176 8.271 -3.615 263 HB3 GLU 34 HB3 GLU 34 -1.455 8.680 -1.928 264 HG2 GLU 34 HG2 GLU 34 0.481 10.483 -2.876 265 HG3 GLU 34 HG3 GLU 34 -0.769 10.384 -4.115 266 H SER 35 H SER 35 0.433 6.321 -4.185 267 HA SER 35 HA SER 35 -0.671 4.184 -2.616 268 HB2 SER 35 HB2 SER 35 -0.847 2.980 -4.604 269 HB3 SER 35 HB3 SER 35 -0.963 4.643 -5.175 270 HG SER 35 HG SER 35 0.605 3.996 -6.440 271 H GLY 36 H GLY 36 2.388 5.503 -3.003 272 HA2 GLY 36 HA2 GLY 36 3.908 3.076 -2.811 273 HA3 GLY 36 HA3 GLY 36 4.526 4.710 -2.634 274 H ILE 37 H ILE 37 2.490 5.365 -0.596 275 HA ILE 37 HA ILE 37 3.985 4.580 1.689 276 HB ILE 37 HB ILE 37 1.233 5.816 1.558 277 HG12 ILE 37 HG12 ILE 37 3.058 7.696 2.491 278 HG13 ILE 37 HG13 ILE 37 3.922 6.875 1.195 279 HG21 ILE 37 HG21 ILE 37 2.951 5.007 3.814 280 HG22 ILE 37 HG22 ILE 37 1.198 5.174 3.722 281 HG23 ILE 37 HG23 ILE 37 2.209 6.602 3.936 282 HD11 ILE 37 HD11 ILE 37 1.784 7.276 -0.174 283 HD12 ILE 37 HD12 ILE 37 2.879 8.628 0.118 284 HD13 ILE 37 HD13 ILE 37 1.402 8.467 1.069 285 H LEU 38 H LEU 38 0.960 3.505 0.299 286 HA LEU 38 HA LEU 38 0.399 1.651 2.413 287 HB2 LEU 38 HB2 LEU 38 -1.500 1.017 1.193 288 HB3 LEU 38 HB3 LEU 38 -1.314 2.729 0.884 289 HG LEU 38 HG LEU 38 0.047 1.670 -1.223 290 HD11 LEU 38 HD11 LEU 38 -1.877 -0.023 -1.987 291 HD12 LEU 38 HD12 LEU 38 -1.872 -0.352 -0.254 292 HD13 LEU 38 HD13 LEU 38 -0.392 -0.546 -1.193 293 HD21 LEU 38 HD21 LEU 38 -1.773 2.387 -2.552 294 HD22 LEU 38 HD22 LEU 38 -1.759 3.432 -1.132 295 HD23 LEU 38 HD23 LEU 38 -2.927 2.116 -1.247 296 H LYS 39 H LYS 39 2.397 1.652 -0.346 297 HA LYS 39 HA LYS 39 2.432 -1.211 -0.683 298 HB2 LYS 39 HB2 LYS 39 2.850 0.626 -2.484 299 HB3 LYS 39 HB3 LYS 39 4.485 0.642 -1.838 300 HG2 LYS 39 HG2 LYS 39 3.231 -1.940 -2.656 301 HG3 LYS 39 HG3 LYS 39 3.915 -0.859 -3.871 302 HD2 LYS 39 HD2 LYS 39 5.680 -1.247 -1.588 303 HD3 LYS 39 HD3 LYS 39 5.293 -2.758 -2.413 304 HE2 LYS 39 HE2 LYS 39 6.204 -2.029 -4.431 305 HE3 LYS 39 HE3 LYS 39 6.134 -0.332 -3.957 306 HZ1 LYS 39 HZ1 LYS 39 8.147 -2.343 -3.362 307 HZ2 LYS 39 HZ2 LYS 39 7.777 -1.275 -2.104 308 HZ3 LYS 39 HZ3 LYS 39 8.316 -0.675 -3.591 309 H ARG 40 H ARG 40 4.222 1.212 1.039 310 HA ARG 40 HA ARG 40 6.446 -0.535 1.606 311 HB2 ARG 40 HB2 ARG 40 6.586 2.000 1.445 312 HB3 ARG 40 HB3 ARG 40 5.780 2.051 3.007 313 HG2 ARG 40 HG2 ARG 40 7.903 2.129 3.755 314 HG3 ARG 40 HG3 ARG 40 7.772 0.376 3.612 315 HD2 ARG 40 HD2 ARG 40 8.530 1.527 1.090 316 HD3 ARG 40 HD3 ARG 40 9.627 2.069 2.360 317 HE ARG 40 HE ARG 40 9.551 -0.497 1.198 318 HH11 ARG 40 HH11 ARG 40 9.931 1.062 4.297 319 HH12 ARG 40 HH12 ARG 40 10.886 -0.220 4.965 320 HH21 ARG 40 HH21 ARG 40 10.807 -2.184 2.074 321 HH22 ARG 40 HH22 ARG 40 11.384 -2.062 3.703 322 H LEU 41 H LEU 41 3.500 0.462 3.149 323 HA LEU 41 HA LEU 41 4.137 -0.766 5.669 324 HB2 LEU 41 HB2 LEU 41 1.561 0.309 4.523 325 HB3 LEU 41 HB3 LEU 41 1.680 -0.389 6.128 326 HG LEU 41 HG LEU 41 3.212 2.040 5.194 327 HD11 LEU 41 HD11 LEU 41 1.678 3.256 6.733 328 HD12 LEU 41 HD12 LEU 41 0.712 1.786 6.853 329 HD13 LEU 41 HD13 LEU 41 0.890 2.600 5.299 330 HD21 LEU 41 HD21 LEU 41 2.880 1.608 8.052 331 HD22 LEU 41 HD22 LEU 41 4.330 1.991 7.125 332 HD23 LEU 41 HD23 LEU 41 3.791 0.319 7.267 333 H LEU 42 H LEU 42 2.751 -1.725 2.669 334 HA LEU 42 HA LEU 42 1.405 -4.051 3.598 335 HB2 LEU 42 HB2 LEU 42 1.798 -2.721 1.111 336 HB3 LEU 42 HB3 LEU 42 2.289 -4.392 0.905 337 HG LEU 42 HG LEU 42 -0.124 -4.603 2.245 338 HD11 LEU 42 HD11 LEU 42 -1.697 -3.220 1.047 339 HD12 LEU 42 HD12 LEU 42 -0.389 -2.475 0.128 340 HD13 LEU 42 HD13 LEU 42 -0.515 -2.198 1.865 341 HD21 LEU 42 HD21 LEU 42 -0.713 -5.851 0.450 342 HD22 LEU 42 HD22 LEU 42 1.000 -5.677 0.070 343 HD23 LEU 42 HD23 LEU 42 -0.187 -4.632 -0.711 344 H ILE 43 H ILE 43 4.677 -3.252 2.824 345 HA ILE 43 HA ILE 43 5.716 -5.816 2.341 346 HB ILE 43 HB ILE 43 7.186 -3.594 3.759 347 HG12 ILE 43 HG12 ILE 43 6.205 -2.618 1.785 348 HG13 ILE 43 HG13 ILE 43 7.913 -2.897 1.467 349 HG21 ILE 43 HG21 ILE 43 8.969 -4.776 2.113 350 HG22 ILE 43 HG22 ILE 43 7.930 -6.147 2.503 351 HG23 ILE 43 HG23 ILE 43 8.718 -5.242 3.795 352 HD11 ILE 43 HD11 ILE 43 5.749 -4.792 0.603 353 HD12 ILE 43 HD12 ILE 43 7.439 -4.768 0.098 354 HD13 ILE 43 HD13 ILE 43 6.351 -3.473 -0.402 355 H ASN 44 H ASN 44 4.946 -4.097 5.302 356 HA ASN 44 HA ASN 44 6.033 -6.266 6.924 357 HB2 ASN 44 HB2 ASN 44 5.373 -3.446 7.374 358 HB3 ASN 44 HB3 ASN 44 4.865 -4.506 8.686 359 HD21 ASN 44 HD21 ASN 44 6.541 -2.999 9.683 360 HD22 ASN 44 HD22 ASN 44 8.164 -3.589 9.712 361 H LYS 45 H LYS 45 3.022 -4.808 5.983 362 HA LYS 45 HA LYS 45 0.833 -5.334 6.377 363 HB2 LYS 45 HB2 LYS 45 2.268 -7.676 5.475 364 HB3 LYS 45 HB3 LYS 45 0.888 -8.134 6.461 365 HG2 LYS 45 HG2 LYS 45 0.222 -6.065 4.543 366 HG3 LYS 45 HG3 LYS 45 0.857 -7.519 3.773 367 HD2 LYS 45 HD2 LYS 45 -0.877 -8.836 4.520 368 HD3 LYS 45 HD3 LYS 45 -1.208 -7.796 5.907 369 HE2 LYS 45 HE2 LYS 45 -2.450 -6.309 4.668 370 HE3 LYS 45 HE3 LYS 45 -1.635 -6.722 3.160 371 HZ1 LYS 45 HZ1 LYS 45 -3.999 -7.513 3.414 372 HZ2 LYS 45 HZ2 LYS 45 -3.427 -8.617 4.560 373 HZ3 LYS 45 HZ3 LYS 45 -2.871 -8.692 2.964 374 H GLY 46 H GLY 46 0.767 -4.503 8.528 375 HA2 GLY 46 HA2 GLY 46 -0.188 -4.828 10.636 376 HA3 GLY 46 HA3 GLY 46 0.069 -6.556 10.462 377 H GLN 47 H GLN 47 1.899 -3.530 10.862 378 HA GLN 47 HA GLN 47 3.469 -4.800 12.957 379 HB2 GLN 47 HB2 GLN 47 4.688 -3.617 10.460 380 HB3 GLN 47 HB3 GLN 47 5.600 -3.948 11.926 381 HG2 GLN 47 HG2 GLN 47 4.119 -5.997 10.292 382 HG3 GLN 47 HG3 GLN 47 5.858 -5.711 10.252 383 HE21 GLN 47 HE21 GLN 47 4.950 -8.195 10.801 384 HE22 GLN 47 HE22 GLN 47 5.220 -8.583 12.463 385 H LEU 48 H LEU 48 4.967 -3.156 14.001 386 HA LEU 48 HA LEU 48 3.480 -0.650 14.277 387 HB2 LEU 48 HB2 LEU 48 4.526 -2.392 16.143 388 HB3 LEU 48 HB3 LEU 48 5.703 -1.093 16.122 389 HG LEU 48 HG LEU 48 3.068 0.036 16.225 390 HD11 LEU 48 HD11 LEU 48 3.580 -1.625 18.646 391 HD12 LEU 48 HD12 LEU 48 2.747 -2.337 17.265 392 HD13 LEU 48 HD13 LEU 48 2.075 -0.915 18.063 393 HD21 LEU 48 HD21 LEU 48 4.024 1.392 17.770 394 HD22 LEU 48 HD22 LEU 48 5.501 0.729 17.072 395 HD23 LEU 48 HD23 LEU 48 4.863 0.069 18.578 396 H CYS 49 H CYS 49 4.170 0.812 12.837 397 HA CYS 49 HA CYS 49 7.037 1.459 12.844 398 HB2 CYS 49 HB2 CYS 49 5.264 1.402 10.392 399 HB3 CYS 49 HB3 CYS 49 6.949 1.911 10.433 400 HG CYS 49 HG CYS 49 7.563 -0.600 11.020 401 H LEU 50 H LEU 50 6.443 3.102 14.352 402 HA LEU 50 HA LEU 50 4.565 5.016 14.267 403 HB2 LEU 50 HB2 LEU 50 6.632 6.615 14.952 404 HB3 LEU 50 HB3 LEU 50 5.826 5.514 16.046 405 HG LEU 50 HG LEU 50 8.396 5.570 16.011 406 HD11 LEU 50 HD11 LEU 50 6.526 3.374 16.309 407 HD12 LEU 50 HD12 LEU 50 7.887 3.854 17.322 408 HD13 LEU 50 HD13 LEU 50 8.156 2.829 15.912 409 HD21 LEU 50 HD21 LEU 50 9.578 4.631 14.325 410 HD22 LEU 50 HD22 LEU 50 8.209 5.213 13.380 411 HD23 LEU 50 HD23 LEU 50 8.282 3.523 13.877 412 H ARG 51 H ARG 51 4.184 6.998 13.320 413 HA ARG 51 HA ARG 51 4.708 7.242 10.615 414 HB2 ARG 51 HB2 ARG 51 2.928 8.418 12.062 415 HB3 ARG 51 HB3 ARG 51 4.164 9.635 12.348 416 HG2 ARG 51 HG2 ARG 51 3.567 8.862 9.541 417 HG3 ARG 51 HG3 ARG 51 2.414 9.882 10.403 418 HD2 ARG 51 HD2 ARG 51 5.290 10.613 10.537 419 HD3 ARG 51 HD3 ARG 51 4.439 10.897 9.020 420 HE ARG 51 HE ARG 51 2.800 11.984 10.891 421 HH11 ARG 51 HH11 ARG 51 6.176 12.392 10.106 422 HH12 ARG 51 HH12 ARG 51 6.227 14.042 10.628 423 HH21 ARG 51 HH21 ARG 51 2.865 14.154 11.578 424 HH22 ARG 51 HH22 ARG 51 4.347 15.043 11.464 425 H LYS 52 H LYS 52 6.609 8.261 13.312 426 HA LYS 52 HA LYS 52 8.200 10.177 12.011 427 HB2 LYS 52 HB2 LYS 52 8.110 9.841 14.487 428 HB3 LYS 52 HB3 LYS 52 9.034 8.361 14.272 429 HG2 LYS 52 HG2 LYS 52 10.822 9.643 14.619 430 HG3 LYS 52 HG3 LYS 52 10.579 10.193 12.960 431 HD2 LYS 52 HD2 LYS 52 10.632 12.217 14.013 432 HD3 LYS 52 HD3 LYS 52 8.908 11.869 14.159 433 HE2 LYS 52 HE2 LYS 52 9.170 12.186 16.352 434 HE3 LYS 52 HE3 LYS 52 10.003 10.632 16.369 435 HZ1 LYS 52 HZ1 LYS 52 11.572 11.954 17.322 436 HZ2 LYS 52 HZ2 LYS 52 11.115 13.339 16.467 437 HZ3 LYS 52 HZ3 LYS 52 12.025 12.137 15.702 438 H HIS 53 H HIS 53 9.180 6.904 12.894 439 HA HIS 53 HA HIS 53 11.386 6.849 11.149 440 HB2 HIS 53 HB2 HIS 53 10.971 5.262 13.074 441 HB3 HIS 53 HB3 HIS 53 9.803 4.436 12.048 442 HD1 HIS 53 HD1 HIS 53 10.703 2.672 10.529 443 HD2 HIS 53 HD2 HIS 53 13.689 5.156 12.004 444 HE1 HIS 53 HE1 HIS 53 12.868 1.646 9.766 445 HE2 HIS 53 HE2 HIS 53 14.664 3.133 10.721 446 H LEU 54 H LEU 54 8.033 6.529 10.588 447 HA LEU 54 HA LEU 54 8.185 5.051 8.163 448 HB2 LEU 54 HB2 LEU 54 6.158 5.518 9.758 449 HB3 LEU 54 HB3 LEU 54 5.963 6.956 8.774 450 HG LEU 54 HG LEU 54 6.239 4.471 7.230 451 HD11 LEU 54 HD11 LEU 54 4.158 4.773 9.323 452 HD12 LEU 54 HD12 LEU 54 4.920 3.317 8.681 453 HD13 LEU 54 HD13 LEU 54 3.665 4.139 7.753 454 HD21 LEU 54 HD21 LEU 54 4.196 6.689 7.202 455 HD22 LEU 54 HD22 LEU 54 4.437 5.464 5.956 456 HD23 LEU 54 HD23 LEU 54 5.689 6.668 6.263 457 H LEU 55 H LEU 55 8.648 8.369 9.046 458 HA LEU 55 HA LEU 55 8.241 9.358 6.383 459 HB2 LEU 55 HB2 LEU 55 8.650 11.476 7.187 460 HB3 LEU 55 HB3 LEU 55 7.946 10.661 8.556 461 HG LEU 55 HG LEU 55 10.389 12.128 8.387 462 HD11 LEU 55 HD11 LEU 55 9.482 12.633 10.338 463 HD12 LEU 55 HD12 LEU 55 10.146 11.121 10.955 464 HD13 LEU 55 HD13 LEU 55 8.494 11.173 10.341 465 HD21 LEU 55 HD21 LEU 55 11.806 10.342 8.071 466 HD22 LEU 55 HD22 LEU 55 10.762 9.221 8.942 467 HD23 LEU 55 HD23 LEU 55 11.706 10.412 9.829 468 H GLU 56 H GLU 56 10.722 7.628 7.822 469 HA GLU 56 HA GLU 56 12.829 8.816 6.206 470 HB2 GLU 56 HB2 GLU 56 12.713 6.797 8.396 471 HB3 GLU 56 HB3 GLU 56 14.074 6.735 7.285 472 HG2 GLU 56 HG2 GLU 56 13.561 9.424 8.231 473 HG3 GLU 56 HG3 GLU 56 13.860 8.295 9.551 474 H GLU 57 H GLU 57 10.573 6.236 6.035 475 HA GLU 57 HA GLU 57 12.123 4.790 4.051 476 HB2 GLU 57 HB2 GLU 57 9.294 4.179 4.885 477 HB3 GLU 57 HB3 GLU 57 10.470 3.087 4.166 478 HG2 GLU 57 HG2 GLU 57 10.724 4.302 6.907 479 HG3 GLU 57 HG3 GLU 57 10.075 2.697 6.576 480 H ILE 58 H ILE 58 9.523 7.055 4.215 481 HA ILE 58 HA ILE 58 8.919 6.670 1.381 482 HB ILE 58 HB ILE 58 7.613 8.692 3.194 483 HG12 ILE 58 HG12 ILE 58 7.025 5.758 2.820 484 HG13 ILE 58 HG13 ILE 58 7.196 6.655 4.324 485 HG21 ILE 58 HG21 ILE 58 6.230 9.115 1.474 486 HG22 ILE 58 HG22 ILE 58 6.113 7.413 1.024 487 HG23 ILE 58 HG23 ILE 58 7.492 8.374 0.489 488 HD11 ILE 58 HD11 ILE 58 5.014 7.008 4.407 489 HD12 ILE 58 HD12 ILE 58 4.836 5.981 2.984 490 HD13 ILE 58 HD13 ILE 58 5.018 7.723 2.796 491 H LYS 59 H LYS 59 10.852 8.558 3.433 492 HA LYS 59 HA LYS 59 11.065 10.764 1.540 493 HB2 LYS 59 HB2 LYS 59 10.984 11.306 3.934 494 HB3 LYS 59 HB3 LYS 59 12.415 10.324 4.210 495 HG2 LYS 59 HG2 LYS 59 13.369 11.984 2.333 496 HG3 LYS 59 HG3 LYS 59 12.161 13.033 3.079 497 HD2 LYS 59 HD2 LYS 59 13.940 11.506 4.894 498 HD3 LYS 59 HD3 LYS 59 14.662 12.840 3.991 499 HE2 LYS 59 HE2 LYS 59 12.313 12.955 5.873 500 HE3 LYS 59 HE3 LYS 59 13.902 13.687 6.096 501 HZ1 LYS 59 HZ1 LYS 59 13.156 14.787 3.787 502 HZ2 LYS 59 HZ2 LYS 59 12.860 15.492 5.296 503 HZ3 LYS 59 HZ3 LYS 59 11.644 14.605 4.525 504 H ASN 60 H ASN 60 12.768 7.911 2.631 505 HA ASN 60 HA ASN 60 15.289 8.571 1.502 506 HB2 ASN 60 HB2 ASN 60 15.041 6.843 3.238 507 HB3 ASN 60 HB3 ASN 60 14.103 5.855 2.122 508 HD21 ASN 60 HD21 ASN 60 17.040 6.189 3.455 509 HD22 ASN 60 HD22 ASN 60 18.019 5.459 2.233 510 H HIS 61 H HIS 61 12.366 7.104 0.297 511 HA HIS 61 HA HIS 61 13.562 6.309 -2.197 512 HB2 HIS 61 HB2 HIS 61 11.688 5.055 -1.019 513 HB3 HIS 61 HB3 HIS 61 10.622 6.357 -1.534 514 HD1 HIS 61 HD1 HIS 61 9.529 4.095 -2.731 515 HD2 HIS 61 HD2 HIS 61 12.998 5.696 -4.364 516 HE1 HIS 61 HE1 HIS 61 9.648 3.191 -5.075 517 HE2 HIS 61 HE2 HIS 61 11.798 4.107 -6.015 518 H ALA 62 H ALA 62 10.852 8.461 -1.321 519 HA ALA 62 HA ALA 62 11.700 10.693 -2.749 520 HB1 ALA 62 HB1 ALA 62 11.567 9.528 -4.792 521 HB2 ALA 62 HB2 ALA 62 10.109 10.517 -4.720 522 HB3 ALA 62 HB3 ALA 62 10.022 8.792 -4.365 523 H LYS 63 H LYS 63 10.774 11.588 -0.855 524 HA LYS 63 HA LYS 63 8.004 11.278 -0.218 525 HB2 LYS 63 HB2 LYS 63 8.505 13.438 1.164 526 HB3 LYS 63 HB3 LYS 63 9.229 11.911 1.642 527 HG2 LYS 63 HG2 LYS 63 10.758 13.885 1.711 528 HG3 LYS 63 HG3 LYS 63 11.339 12.529 0.747 529 HD2 LYS 63 HD2 LYS 63 10.505 13.679 -1.286 530 HD3 LYS 63 HD3 LYS 63 10.056 15.060 -0.281 531 HE2 LYS 63 HE2 LYS 63 12.852 13.954 -0.401 532 HE3 LYS 63 HE3 LYS 63 12.277 15.223 -1.481 533 HZ1 LYS 63 HZ1 LYS 63 11.841 16.627 0.404 534 HZ2 LYS 63 HZ2 LYS 63 13.444 16.092 0.478 535 HZ3 LYS 63 HZ3 LYS 63 12.275 15.398 1.483 536 H ALA 64 H ALA 64 7.626 11.710 -2.689 537 HA ALA 64 HA ALA 64 6.739 13.005 -4.320 538 HB1 ALA 64 HB1 ALA 64 5.721 15.214 -2.843 539 HB2 ALA 64 HB2 ALA 64 5.498 13.750 -1.884 540 HB3 ALA 64 HB3 ALA 64 4.841 13.842 -3.518 541 H ILE 65 H ILE 65 9.454 13.504 -3.388 542 HA ILE 65 HA ILE 65 11.094 15.169 -3.327 543 HB ILE 65 HB ILE 65 10.035 15.387 -6.142 544 HG12 ILE 65 HG12 ILE 65 12.243 13.526 -5.495 545 HG13 ILE 65 HG13 ILE 65 10.646 13.049 -4.927 546 HG21 ILE 65 HG21 ILE 65 12.144 16.711 -4.904 547 HG22 ILE 65 HG22 ILE 65 11.861 16.561 -6.638 548 HG23 ILE 65 HG23 ILE 65 12.906 15.405 -5.812 549 HD11 ILE 65 HD11 ILE 65 10.127 13.779 -7.497 550 HD12 ILE 65 HD12 ILE 65 10.436 12.132 -6.947 551 HD13 ILE 65 HD13 ILE 65 11.747 13.095 -7.627 552 H VAL 66 H VAL 66 8.915 16.364 -2.141 553 HA VAL 66 HA VAL 66 9.467 19.082 -2.420 554 HB VAL 66 HB VAL 66 8.075 18.454 -4.587 555 HG11 VAL 66 HG11 VAL 66 6.203 17.643 -2.919 556 HG12 VAL 66 HG12 VAL 66 5.800 18.422 -4.449 557 HG13 VAL 66 HG13 VAL 66 5.763 19.351 -2.951 558 HG21 VAL 66 HG21 VAL 66 8.483 20.633 -4.744 559 HG22 VAL 66 HG22 VAL 66 8.392 20.852 -2.997 560 HG23 VAL 66 HG23 VAL 66 6.921 20.893 -3.969 561 H ALA 67 H ALA 67 7.056 20.249 -1.647 562 HA ALA 67 HA ALA 67 6.890 19.364 1.072 563 HB1 ALA 67 HB1 ALA 67 4.959 21.342 -0.027 564 HB2 ALA 67 HB2 ALA 67 6.668 21.775 0.023 565 HB3 ALA 67 HB3 ALA 67 5.825 21.339 1.509 566 H ARG 68 H ARG 68 6.037 17.263 0.936 567 HA ARG 68 HA ARG 68 3.138 17.195 0.749 568 HB2 ARG 68 HB2 ARG 68 4.969 15.655 -1.062 569 HB3 ARG 68 HB3 ARG 68 3.399 14.998 -0.622 570 HG2 ARG 68 HG2 ARG 68 3.760 17.717 -1.853 571 HG3 ARG 68 HG3 ARG 68 3.488 16.249 -2.794 572 HD2 ARG 68 HD2 ARG 68 1.361 15.898 -1.728 573 HD3 ARG 68 HD3 ARG 68 1.648 17.241 -0.621 574 HE ARG 68 HE ARG 68 1.796 18.421 -3.041 575 HH11 ARG 68 HH11 ARG 68 -0.577 16.319 -1.580 576 HH12 ARG 68 HH12 ARG 68 -1.904 17.002 -2.457 577 HH21 ARG 68 HH21 ARG 68 0.051 19.320 -4.194 578 HH22 ARG 68 HH22 ARG 68 -1.548 18.705 -3.941 579 H ASN 69 H ASN 69 4.310 17.088 3.077 580 HA ASN 69 HA ASN 69 5.472 14.903 4.163 581 HB2 ASN 69 HB2 ASN 69 4.244 15.400 6.264 582 HB3 ASN 69 HB3 ASN 69 4.912 16.841 5.504 583 HD21 ASN 69 HD21 ASN 69 3.523 18.319 4.525 584 HD22 ASN 69 HD22 ASN 69 1.829 18.340 4.862 585 H VAL 70 H VAL 70 4.872 12.914 4.987 586 HA VAL 70 HA VAL 70 2.989 11.447 3.555 587 HB VAL 70 HB VAL 70 3.196 9.840 5.653 588 HG11 VAL 70 HG11 VAL 70 4.028 9.267 3.494 589 HG12 VAL 70 HG12 VAL 70 5.311 8.978 4.668 590 HG13 VAL 70 HG13 VAL 70 5.361 10.413 3.643 591 HG21 VAL 70 HG21 VAL 70 5.849 11.110 5.962 592 HG22 VAL 70 HG22 VAL 70 4.865 10.230 7.133 593 HG23 VAL 70 HG23 VAL 70 4.486 11.909 6.747 594 H ASP 71 H ASP 71 2.721 13.127 6.591 595 HA ASP 71 HA ASP 71 0.461 12.105 7.709 596 HB2 ASP 71 HB2 ASP 71 1.968 14.201 8.324 597 HB3 ASP 71 HB3 ASP 71 0.630 15.072 7.582 598 H VAL 72 H VAL 72 0.321 14.952 5.629 599 HA VAL 72 HA VAL 72 -2.453 14.833 5.220 600 HB VAL 72 HB VAL 72 -0.436 16.018 3.306 601 HG11 VAL 72 HG11 VAL 72 -3.369 16.539 3.763 602 HG12 VAL 72 HG12 VAL 72 -2.608 15.888 2.311 603 HG13 VAL 72 HG13 VAL 72 -2.323 17.564 2.780 604 HG21 VAL 72 HG21 VAL 72 0.138 17.315 5.044 605 HG22 VAL 72 HG22 VAL 72 -1.277 16.845 5.986 606 HG23 VAL 72 HG23 VAL 72 -1.412 18.109 4.764 607 H HIS 73 H HIS 73 0.148 13.104 3.792 608 HA HIS 73 HA HIS 73 -1.243 12.264 1.448 609 HB2 HIS 73 HB2 HIS 73 1.353 11.741 2.705 610 HB3 HIS 73 HB3 HIS 73 0.677 10.342 1.880 611 HD1 HIS 73 HD1 HIS 73 1.577 10.187 -0.407 612 HD2 HIS 73 HD2 HIS 73 1.031 14.138 0.759 613 HE1 HIS 73 HE1 HIS 73 2.284 11.574 -2.382 614 HE2 HIS 73 HE2 HIS 73 1.871 13.959 -1.681 615 H ILE 74 H ILE 74 -1.065 11.234 4.748 616 HA ILE 74 HA ILE 74 -1.952 8.587 4.463 617 HB ILE 74 HB ILE 74 -2.593 10.414 6.778 618 HG12 ILE 74 HG12 ILE 74 -0.241 10.549 6.565 619 HG13 ILE 74 HG13 ILE 74 -0.520 9.326 7.797 620 HG21 ILE 74 HG21 ILE 74 -2.884 8.464 8.071 621 HG22 ILE 74 HG22 ILE 74 -2.193 7.436 6.815 622 HG23 ILE 74 HG23 ILE 74 -3.770 8.186 6.571 623 HD11 ILE 74 HD11 ILE 74 -0.425 7.828 5.521 624 HD12 ILE 74 HD12 ILE 74 0.922 8.101 6.626 625 HD13 ILE 74 HD13 ILE 74 0.748 9.101 5.184 626 H ALA 75 H ALA 75 -3.635 11.641 4.544 627 HA ALA 75 HA ALA 75 -6.245 10.538 4.766 628 HB1 ALA 75 HB1 ALA 75 -7.029 12.688 4.701 629 HB2 ALA 75 HB2 ALA 75 -5.827 13.200 3.517 630 HB3 ALA 75 HB3 ALA 75 -5.365 12.981 5.205 631 H SER 76 H SER 76 -4.246 11.600 2.101 632 HA SER 76 HA SER 76 -6.205 11.175 0.084 633 HB2 SER 76 HB2 SER 76 -3.242 11.624 0.094 634 HB3 SER 76 HB3 SER 76 -4.020 11.060 -1.385 635 HG SER 76 HG SER 76 -3.815 13.479 -0.812 636 H LEU 77 H LEU 77 -3.991 9.159 1.784 637 HA LEU 77 HA LEU 77 -3.909 7.004 -0.040 638 HB2 LEU 77 HB2 LEU 77 -3.116 7.492 2.751 639 HB3 LEU 77 HB3 LEU 77 -3.520 5.826 2.386 640 HG LEU 77 HG LEU 77 -1.060 6.595 2.181 641 HD11 LEU 77 HD11 LEU 77 -2.353 4.487 1.240 642 HD12 LEU 77 HD12 LEU 77 -0.665 4.805 0.836 643 HD13 LEU 77 HD13 LEU 77 -1.941 5.236 -0.303 644 HD21 LEU 77 HD21 LEU 77 -0.416 7.929 0.490 645 HD22 LEU 77 HD22 LEU 77 -2.090 8.481 0.524 646 HD23 LEU 77 HD23 LEU 77 -1.594 7.246 -0.630 647 H ARG 78 H ARG 78 -6.156 8.046 2.379 648 HA ARG 78 HA ARG 78 -7.577 5.644 2.729 649 HB2 ARG 78 HB2 ARG 78 -7.705 7.980 3.970 650 HB3 ARG 78 HB3 ARG 78 -9.005 8.262 2.820 651 HG2 ARG 78 HG2 ARG 78 -10.409 6.878 3.879 652 HG3 ARG 78 HG3 ARG 78 -9.151 5.680 4.192 653 HD2 ARG 78 HD2 ARG 78 -8.303 7.071 6.028 654 HD3 ARG 78 HD3 ARG 78 -9.584 8.243 5.723 655 HE ARG 78 HE ARG 78 -9.822 5.730 7.098 656 HH11 ARG 78 HH11 ARG 78 -11.537 8.181 5.302 657 HH12 ARG 78 HH12 ARG 78 -13.075 7.791 5.996 658 HH21 ARG 78 HH21 ARG 78 -11.843 5.215 8.012 659 HH22 ARG 78 HH22 ARG 78 -13.249 6.107 7.535 660 H LYS 79 H LYS 79 -7.601 8.043 0.232 661 HA LYS 79 HA LYS 79 -10.009 6.966 -0.979 662 HB2 LYS 79 HB2 LYS 79 -8.258 9.323 -1.538 663 HB3 LYS 79 HB3 LYS 79 -9.347 8.733 -2.785 664 HG2 LYS 79 HG2 LYS 79 -11.256 9.183 -1.468 665 HG3 LYS 79 HG3 LYS 79 -10.281 9.448 -0.021 666 HD2 LYS 79 HD2 LYS 79 -9.192 11.315 -1.567 667 HD3 LYS 79 HD3 LYS 79 -10.776 11.237 -2.341 668 HE2 LYS 79 HE2 LYS 79 -11.863 11.679 -0.217 669 HE3 LYS 79 HE3 LYS 79 -10.304 11.674 0.606 670 HZ1 LYS 79 HZ1 LYS 79 -9.776 13.533 -1.123 671 HZ2 LYS 79 HZ2 LYS 79 -10.633 13.899 0.289 672 HZ3 LYS 79 HZ3 LYS 79 -11.460 13.700 -1.173 673 H LYS 80 H LYS 80 -6.612 7.343 -1.783 674 HA LYS 80 HA LYS 80 -6.658 6.027 -4.252 675 HB2 LYS 80 HB2 LYS 80 -4.719 7.215 -2.610 676 HB3 LYS 80 HB3 LYS 80 -4.178 5.561 -2.853 677 HG2 LYS 80 HG2 LYS 80 -3.332 6.202 -4.793 678 HG3 LYS 80 HG3 LYS 80 -4.982 6.434 -5.374 679 HD2 LYS 80 HD2 LYS 80 -3.788 8.614 -3.756 680 HD3 LYS 80 HD3 LYS 80 -3.165 8.386 -5.391 681 HE2 LYS 80 HE2 LYS 80 -5.117 9.019 -6.371 682 HE3 LYS 80 HE3 LYS 80 -6.107 8.387 -5.057 683 HZ1 LYS 80 HZ1 LYS 80 -5.700 10.977 -5.466 684 HZ2 LYS 80 HZ2 LYS 80 -4.424 10.662 -4.402 685 HZ3 LYS 80 HZ3 LYS 80 -6.014 10.322 -3.938 686 H LEU 81 H LEU 81 -5.470 4.781 -1.187 687 HA LEU 81 HA LEU 81 -5.273 2.099 -1.967 688 HB2 LEU 81 HB2 LEU 81 -4.160 3.060 0.007 689 HB3 LEU 81 HB3 LEU 81 -5.714 3.233 0.795 690 HG LEU 81 HG LEU 81 -5.921 0.954 1.195 691 HD11 LEU 81 HD11 LEU 81 -3.754 0.403 -0.825 692 HD12 LEU 81 HD12 LEU 81 -5.483 0.230 -1.121 693 HD13 LEU 81 HD13 LEU 81 -4.686 -0.791 0.076 694 HD21 LEU 81 HD21 LEU 81 -3.184 2.007 1.527 695 HD22 LEU 81 HD22 LEU 81 -3.393 0.271 1.751 696 HD23 LEU 81 HD23 LEU 81 -4.321 1.406 2.730 697 H GLY 82 H GLY 82 -7.665 3.377 0.357 698 HA2 GLY 82 HA2 GLY 82 -10.059 3.065 -0.193 699 HA3 GLY 82 HA3 GLY 82 -9.615 1.476 -0.796 700 H ALA 83 H ALA 83 -10.460 0.000 0.511 701 HA ALA 83 HA ALA 83 -11.158 0.406 3.196 702 HB1 ALA 83 HB1 ALA 83 -10.692 -2.160 1.687 703 HB2 ALA 83 HB2 ALA 83 -12.225 -1.311 1.891 704 HB3 ALA 83 HB3 ALA 83 -11.436 -2.054 3.283 705 H TYR 84 H TYR 84 -8.124 -0.242 1.783 706 HA TYR 84 HA TYR 84 -6.980 -1.388 4.190 707 HB2 TYR 84 HB2 TYR 84 -6.150 -1.069 1.375 708 HB3 TYR 84 HB3 TYR 84 -4.854 -0.918 2.555 709 HD1 TYR 84 HD1 TYR 84 -5.721 -2.878 4.602 710 HD2 TYR 84 HD2 TYR 84 -5.755 -3.126 0.354 711 HE1 TYR 84 HE1 TYR 84 -5.567 -5.328 4.748 712 HE2 TYR 84 HE2 TYR 84 -5.602 -5.576 0.490 713 HH TYR 84 HH TYR 84 -6.338 -7.359 2.479 714 H GLY 85 H GLY 85 -7.203 1.663 2.522 715 HA2 GLY 85 HA2 GLY 85 -5.055 3.068 3.553 716 HA3 GLY 85 HA3 GLY 85 -6.616 3.786 3.186 717 H SER 86 H SER 86 -8.096 2.241 5.102 718 HA SER 86 HA SER 86 -7.698 3.880 7.398 719 HB2 SER 86 HB2 SER 86 -9.942 3.275 6.961 720 HB3 SER 86 HB3 SER 86 -9.535 1.569 6.784 721 HG SER 86 HG SER 86 -9.420 3.077 9.188 722 H ARG 87 H ARG 87 -6.338 0.936 6.364 723 HA ARG 87 HA ARG 87 -5.965 -0.487 8.719 724 HB2 ARG 87 HB2 ARG 87 -5.362 -1.362 6.513 725 HB3 ARG 87 HB3 ARG 87 -4.056 -0.191 6.392 726 HG2 ARG 87 HG2 ARG 87 -2.930 -1.233 8.284 727 HG3 ARG 87 HG3 ARG 87 -4.248 -2.396 8.433 728 HD2 ARG 87 HD2 ARG 87 -2.650 -3.571 7.230 729 HD3 ARG 87 HD3 ARG 87 -3.725 -2.965 5.972 730 HE ARG 87 HE ARG 87 -0.986 -2.153 6.481 731 HH11 ARG 87 HH11 ARG 87 -3.973 -1.485 4.793 732 HH12 ARG 87 HH12 ARG 87 -3.213 -0.505 3.587 733 HH21 ARG 87 HH21 ARG 87 0.006 -0.867 4.892 734 HH22 ARG 87 HH22 ARG 87 -0.957 -0.155 3.641 735 H ILE 88 H ILE 88 -3.962 2.101 7.341 736 HA ILE 88 HA ILE 88 -1.911 2.108 9.222 737 HB ILE 88 HB ILE 88 -3.040 4.595 7.936 738 HG12 ILE 88 HG12 ILE 88 -1.129 2.537 6.809 739 HG13 ILE 88 HG13 ILE 88 -2.721 2.951 6.185 740 HG21 ILE 88 HG21 ILE 88 -0.275 3.882 8.907 741 HG22 ILE 88 HG22 ILE 88 -1.386 5.037 9.642 742 HG23 ILE 88 HG23 ILE 88 -0.698 5.366 8.052 743 HD11 ILE 88 HD11 ILE 88 -0.292 4.722 6.211 744 HD12 ILE 88 HD12 ILE 88 -1.895 5.208 5.660 745 HD13 ILE 88 HD13 ILE 88 -1.018 3.937 4.808 746 H VAL 89 H VAL 89 -2.673 1.778 11.315 747 HA VAL 89 HA VAL 89 -4.559 3.688 12.443 748 HB VAL 89 HB VAL 89 -3.194 1.415 13.879 749 HG11 VAL 89 HG11 VAL 89 -5.358 1.567 15.223 750 HG12 VAL 89 HG12 VAL 89 -5.589 3.133 14.444 751 HG13 VAL 89 HG13 VAL 89 -4.170 2.851 15.452 752 HG21 VAL 89 HG21 VAL 89 -4.270 0.123 12.367 753 HG22 VAL 89 HG22 VAL 89 -5.405 1.399 11.925 754 HG23 VAL 89 HG23 VAL 89 -5.661 0.461 13.396 755 H THR 90 H THR 90 -4.112 4.769 14.474 756 HA THR 90 HA THR 90 -1.273 5.246 15.031 757 HB THR 90 HB THR 90 -3.300 7.469 14.733 758 HG1 THR 90 HG1 THR 90 -2.189 7.952 12.820 759 HG21 THR 90 HG21 THR 90 -1.663 8.281 16.169 760 HG22 THR 90 HG22 THR 90 -1.151 8.835 14.574 761 HG23 THR 90 HG23 THR 90 -0.367 7.441 15.318 762 H LEU 91 H LEU 91 -0.811 5.389 17.156 763 HA LEU 91 HA LEU 91 -3.041 5.769 19.037 764 HB2 LEU 91 HB2 LEU 91 -1.274 3.460 18.728 765 HB3 LEU 91 HB3 LEU 91 -1.327 4.072 20.369 766 HG LEU 91 HG LEU 91 -3.960 3.994 19.874 767 HD11 LEU 91 HD11 LEU 91 -4.503 1.971 18.620 768 HD12 LEU 91 HD12 LEU 91 -2.801 1.765 18.208 769 HD13 LEU 91 HD13 LEU 91 -3.693 3.160 17.600 770 HD21 LEU 91 HD21 LEU 91 -4.037 2.023 21.176 771 HD22 LEU 91 HD22 LEU 91 -2.596 2.897 21.696 772 HD23 LEU 91 HD23 LEU 91 -2.444 1.506 20.622 773 H ARG 92 H ARG 92 -2.576 6.873 20.914 774 HA ARG 92 HA ARG 92 -0.113 8.416 20.866 775 HB2 ARG 92 HB2 ARG 92 -2.768 8.680 22.162 776 HB3 ARG 92 HB3 ARG 92 -1.400 9.370 23.025 777 HG2 ARG 92 HG2 ARG 92 -1.963 9.996 20.144 778 HG3 ARG 92 HG3 ARG 92 -2.670 10.914 21.475 779 HD2 ARG 92 HD2 ARG 92 -0.597 11.716 22.181 780 HD3 ARG 92 HD3 ARG 92 0.288 10.462 21.314 781 HE ARG 92 HE ARG 92 -0.673 12.967 20.255 782 HH11 ARG 92 HH11 ARG 92 0.399 9.734 19.488 783 HH12 ARG 92 HH12 ARG 92 0.857 10.137 17.868 784 HH21 ARG 92 HH21 ARG 92 -0.073 13.496 18.124 785 HH22 ARG 92 HH22 ARG 92 0.589 12.271 17.093 786 H GLY 93 H GLY 93 1.269 6.621 21.396 787 HA2 GLY 93 HA2 GLY 93 2.325 6.550 23.872 788 HA3 GLY 93 HA3 GLY 93 1.013 5.387 24.003 789 H VAL 94 H VAL 94 1.161 4.385 21.352 790 HA VAL 94 HA VAL 94 3.694 2.895 21.523 791 HB VAL 94 HB VAL 94 1.667 1.517 21.822 792 HG11 VAL 94 HG11 VAL 94 0.486 3.101 19.990 793 HG12 VAL 94 HG12 VAL 94 -0.099 1.494 20.421 794 HG13 VAL 94 HG13 VAL 94 0.900 1.712 18.984 795 HG21 VAL 94 HG21 VAL 94 3.866 0.901 20.430 796 HG22 VAL 94 HG22 VAL 94 2.654 0.646 19.175 797 HG23 VAL 94 HG23 VAL 94 2.548 -0.240 20.696 798 H GLY 95 H GLY 95 1.539 4.690 19.425 799 HA2 GLY 95 HA2 GLY 95 2.506 6.016 17.652 800 HA3 GLY 95 HA3 GLY 95 3.677 4.733 17.397 801 H TYR 96 H TYR 96 3.029 4.968 15.157 802 HA TYR 96 HA TYR 96 0.412 4.315 14.279 803 HB2 TYR 96 HB2 TYR 96 3.040 4.831 13.043 804 HB3 TYR 96 HB3 TYR 96 1.987 3.768 12.120 805 HD1 TYR 96 HD1 TYR 96 1.547 6.908 14.112 806 HD2 TYR 96 HD2 TYR 96 0.827 4.857 10.454 807 HE1 TYR 96 HE1 TYR 96 0.344 8.873 13.255 808 HE2 TYR 96 HE2 TYR 96 -0.378 6.818 9.586 809 HH TYR 96 HH TYR 96 -0.371 9.340 10.054 810 H LEU 97 H LEU 97 -0.517 2.403 13.899 811 HA LEU 97 HA LEU 97 1.157 0.006 13.719 812 HB2 LEU 97 HB2 LEU 97 0.367 0.328 16.077 813 HB3 LEU 97 HB3 LEU 97 -1.278 0.181 15.492 814 HG LEU 97 HG LEU 97 -0.155 -1.881 16.550 815 HD11 LEU 97 HD11 LEU 97 -1.262 -2.496 13.855 816 HD12 LEU 97 HD12 LEU 97 -2.272 -1.660 15.035 817 HD13 LEU 97 HD13 LEU 97 -1.601 -3.246 15.415 818 HD21 LEU 97 HD21 LEU 97 0.937 -2.283 13.785 819 HD22 LEU 97 HD22 LEU 97 1.281 -3.190 15.257 820 HD23 LEU 97 HD23 LEU 97 1.910 -1.554 15.063 821 H PHE 98 H PHE 98 0.621 0.103 11.484 822 HA PHE 98 HA PHE 98 -2.064 0.056 10.561 823 HB2 PHE 98 HB2 PHE 98 -1.044 -0.636 8.379 824 HB3 PHE 98 HB3 PHE 98 -0.362 0.835 9.060 825 HD1 PHE 98 HD1 PHE 98 1.890 0.791 10.085 826 HD2 PHE 98 HD2 PHE 98 0.277 -2.575 8.040 827 HE1 PHE 98 HE1 PHE 98 4.146 -0.172 9.896 828 HE2 PHE 98 HE2 PHE 98 2.530 -3.545 7.852 829 HZ PHE 98 HZ PHE 98 4.468 -2.344 8.781 830 H SER 99 H SER 99 -2.972 -1.581 11.920 831 HA SER 99 HA SER 99 -2.174 -4.331 11.292 832 HB2 SER 99 HB2 SER 99 -3.388 -3.009 13.616 833 HB3 SER 99 HB3 SER 99 -4.136 -4.549 13.198 834 HG SER 99 HG SER 99 -2.448 -5.516 13.966 835 H ASP 100 H ASP 100 -3.434 -5.709 10.193 836 HA ASP 100 HA ASP 100 -6.217 -5.007 9.664 837 HB2 ASP 100 HB2 ASP 100 -4.577 -4.252 7.790 838 HB3 ASP 100 HB3 ASP 100 -4.514 -5.967 7.394 839 H ASP 101 H ASP 101 -3.831 -7.397 8.668 840 HA ASP 101 HA ASP 101 -5.156 -9.516 10.056 841 HB2 ASP 101 HB2 ASP 101 -6.496 -9.196 7.918 842 HB3 ASP 101 HB3 ASP 101 -5.063 -9.739 7.049 843 H GLY 102 H GLY 102 -2.972 -8.952 7.292 844 HA2 GLY 102 HA2 GLY 102 -0.622 -9.323 7.401 845 HA3 GLY 102 HA3 GLY 102 -0.887 -10.424 8.744 846 H ASP 103 H ASP 103 -2.853 -10.605 5.879 847 HA ASP 103 HA ASP 103 -1.487 -13.083 5.152 848 HB2 ASP 103 HB2 ASP 103 -4.289 -12.506 5.639 849 HB3 ASP 103 HB3 ASP 103 -4.041 -13.215 4.046 850 H LYS 104 H LYS 104 -0.154 -12.426 3.531 851 HA LYS 104 HA LYS 104 -0.662 -10.465 1.641 852 HB2 LYS 104 HB2 LYS 104 1.109 -11.706 0.312 853 HB3 LYS 104 HB3 LYS 104 1.569 -11.161 1.911 854 HG2 LYS 104 HG2 LYS 104 2.425 -13.370 1.539 855 HG3 LYS 104 HG3 LYS 104 1.156 -13.444 2.761 856 HD2 LYS 104 HD2 LYS 104 -0.327 -14.508 1.347 857 HD3 LYS 104 HD3 LYS 104 0.461 -13.893 -0.108 858 HE2 LYS 104 HE2 LYS 104 2.417 -15.423 1.122 859 HE3 LYS 104 HE3 LYS 104 0.935 -16.346 1.371 860 HZ1 LYS 104 HZ1 LYS 104 0.730 -16.776 -0.818 861 HZ2 LYS 104 HZ2 LYS 104 2.401 -16.517 -0.828 862 HZ3 LYS 104 HZ3 LYS 104 1.352 -15.278 -1.302 863 H LYS 105 H LYS 105 -0.490 -11.196 -0.844 864 HA LYS 105 HA LYS 105 -2.293 -13.361 -1.459 865 HB2 LYS 105 HB2 LYS 105 -3.306 -10.770 -1.179 866 HB3 LYS 105 HB3 LYS 105 -3.169 -11.016 -2.915 867 HG2 LYS 105 HG2 LYS 105 -4.376 -13.236 -1.404 868 HG3 LYS 105 HG3 LYS 105 -5.307 -11.738 -1.455 869 HD2 LYS 105 HD2 LYS 105 -5.759 -11.945 -3.655 870 HD3 LYS 105 HD3 LYS 105 -4.157 -12.585 -4.027 871 HE2 LYS 105 HE2 LYS 105 -5.228 -14.529 -4.337 872 HE3 LYS 105 HE3 LYS 105 -5.241 -14.620 -2.576 873 HZ1 LYS 105 HZ1 LYS 105 -7.416 -13.247 -4.018 874 HZ2 LYS 105 HZ2 LYS 105 -7.434 -13.937 -2.474 875 HZ3 LYS 105 HZ3 LYS 105 -7.433 -14.930 -3.844 876 H PHE 106 H PHE 106 -1.808 -14.301 -3.362 877 HA PHE 106 HA PHE 106 -0.289 -12.810 -5.336 878 HB2 PHE 106 HB2 PHE 106 0.916 -14.656 -3.611 879 HB3 PHE 106 HB3 PHE 106 0.738 -15.506 -5.142 880 HD1 PHE 106 HD1 PHE 106 1.877 -14.714 -7.144 881 HD2 PHE 106 HD2 PHE 106 2.398 -12.786 -3.386 882 HE1 PHE 106 HE1 PHE 106 3.866 -13.558 -8.017 883 HE2 PHE 106 HE2 PHE 106 4.387 -11.626 -4.252 884 HZ PHE 106 HZ PHE 106 5.124 -12.012 -6.570 885 H SER 107 H SER 107 -0.170 -13.942 -7.444 886 HA SER 107 HA SER 107 -2.710 -14.786 -8.282 887 HB2 SER 107 HB2 SER 107 -0.456 -13.927 -9.556 888 HB3 SER 107 HB3 SER 107 -0.444 -15.642 -9.966 889 HG SER 107 HG SER 107 -2.263 -15.412 -11.077 890 H GLN 108 H GLN 108 -3.299 -16.502 -6.885 891 HA GLN 108 HA GLN 108 -1.836 -18.877 -6.567 892 HB2 GLN 108 HB2 GLN 108 -4.759 -18.221 -6.269 893 HB3 GLN 108 HB3 GLN 108 -4.143 -19.842 -5.980 894 HG2 GLN 108 HG2 GLN 108 -3.327 -19.295 -3.985 895 HG3 GLN 108 HG3 GLN 108 -2.620 -17.797 -4.587 896 HE21 GLN 108 HE21 GLN 108 -5.959 -18.970 -4.380 897 HE22 GLN 108 HE22 GLN 108 -6.557 -17.628 -3.470 898 H GLN 109 H GLN 109 -4.939 -18.711 -8.294 899 HA GLN 109 HA GLN 109 -4.480 -21.029 -9.803 900 HB2 GLN 109 HB2 GLN 109 -6.636 -19.439 -9.346 901 HB3 GLN 109 HB3 GLN 109 -6.258 -19.004 -11.007 902 HG2 GLN 109 HG2 GLN 109 -6.850 -21.027 -11.821 903 HG3 GLN 109 HG3 GLN 109 -6.324 -21.888 -10.374 904 HE21 GLN 109 HE21 GLN 109 -8.581 -22.758 -11.331 905 HE22 GLN 109 HE22 GLN 109 -9.946 -22.199 -10.433 906 H ASP 110 H ASP 110 -2.480 -20.946 -10.813 907 HA ASP 110 HA ASP 110 -1.671 -18.789 -12.483 908 HB2 ASP 110 HB2 ASP 110 -0.273 -20.690 -11.299 909 HB3 ASP 110 HB3 ASP 110 -0.540 -21.534 -12.821 910 H THR 111 H THR 111 -3.756 -21.454 -12.948 911 HA THR 111 HA THR 111 -3.425 -22.027 -15.652 912 HB THR 111 HB THR 111 -6.080 -22.378 -15.385 913 HG1 THR 111 HG1 THR 111 -6.618 -22.702 -13.274 914 HG21 THR 111 HG21 THR 111 -5.655 -24.565 -15.102 915 HG22 THR 111 HG22 THR 111 -4.545 -24.290 -13.759 916 HG23 THR 111 HG23 THR 111 -3.997 -24.054 -15.418 917 H LYS 112 H LYS 112 -4.380 -21.246 -17.532 918 HA LYS 112 HA LYS 112 -6.140 -18.994 -17.494 919 HB2 LYS 112 HB2 LYS 112 -3.646 -18.197 -17.160 920 HB3 LYS 112 HB3 LYS 112 -3.564 -18.443 -18.898 921 HG2 LYS 112 HG2 LYS 112 -5.170 -16.794 -19.323 922 HG3 LYS 112 HG3 LYS 112 -5.714 -16.772 -17.644 923 HD2 LYS 112 HD2 LYS 112 -3.717 -15.699 -16.925 924 HD3 LYS 112 HD3 LYS 112 -2.938 -15.961 -18.486 925 HE2 LYS 112 HE2 LYS 112 -5.434 -14.515 -18.757 926 HE3 LYS 112 HE3 LYS 112 -4.317 -13.691 -17.669 927 HZ1 LYS 112 HZ1 LYS 112 -4.243 -13.320 -20.254 928 HZ2 LYS 112 HZ2 LYS 112 -3.263 -14.698 -20.205 929 HZ3 LYS 112 HZ3 LYS 112 -2.828 -13.320 -19.326 930 H LEU 113 H LEU 113 -7.478 -20.245 -18.772 931 HA LEU 113 HA LEU 113 -6.711 -21.692 -21.039 932 HB2 LEU 113 HB2 LEU 113 -9.111 -21.553 -21.682 933 HB3 LEU 113 HB3 LEU 113 -8.838 -22.106 -20.041 934 HG LEU 113 HG LEU 113 -9.188 -19.521 -19.507 935 HD11 LEU 113 HD11 LEU 113 -9.602 -19.415 -22.170 936 HD12 LEU 113 HD12 LEU 113 -10.333 -18.303 -21.013 937 HD13 LEU 113 HD13 LEU 113 -11.248 -19.692 -21.601 938 HD21 LEU 113 HD21 LEU 113 -11.743 -20.175 -19.454 939 HD22 LEU 113 HD22 LEU 113 -10.580 -20.924 -18.361 940 HD23 LEU 113 HD23 LEU 113 -11.100 -21.778 -19.814 941 H SER 114 H SER 114 -7.363 -21.202 -23.304 942 HA SER 114 HA SER 114 -7.618 -18.464 -24.084 943 HB2 SER 114 HB2 SER 114 -5.078 -19.035 -23.583 944 HB3 SER 114 HB3 SER 114 -5.160 -19.740 -25.197 945 HG SER 114 HG SER 114 -4.861 -17.766 -25.843 946 H LEU 115 H LEU 115 -9.055 -18.578 -25.674 947 HA LEU 115 HA LEU 115 -9.712 -20.892 -27.080 948 HB2 LEU 115 HB2 LEU 115 -10.265 -17.975 -27.464 949 HB3 LEU 115 HB3 LEU 115 -10.785 -19.132 -28.664 950 HG LEU 115 HG LEU 115 -12.654 -18.751 -27.270 951 HD11 LEU 115 HD11 LEU 115 -13.151 -20.905 -26.420 952 HD12 LEU 115 HD12 LEU 115 -11.444 -21.281 -26.183 953 HD13 LEU 115 HD13 LEU 115 -12.099 -21.144 -27.815 954 HD21 LEU 115 HD21 LEU 115 -11.008 -19.410 -24.841 955 HD22 LEU 115 HD22 LEU 115 -12.633 -18.729 -24.909 956 HD23 LEU 115 HD23 LEU 115 -11.249 -17.760 -25.416 957 H GLU 116 H GLU 116 -8.289 -17.943 -28.496 958 HA GLU 116 HA GLU 116 -6.848 -17.627 -30.226 959 HB2 GLU 116 HB2 GLU 116 -5.527 -19.242 -28.640 960 HB3 GLU 116 HB3 GLU 116 -5.812 -20.419 -29.915 961 HG2 GLU 116 HG2 GLU 116 -4.332 -19.468 -31.306 962 HG3 GLU 116 HG3 GLU 116 -4.767 -17.830 -30.821 Start of MODEL 14 1 H1 HIS 1 H1 HIS 1 8.126 -13.530 7.041 2 H2 HIS 1 H2 HIS 1 6.705 -12.943 7.803 3 H3 HIS 1 H3 HIS 1 7.565 -11.946 6.702 4 HA HIS 1 HA HIS 1 6.362 -14.516 5.951 5 HB2 HIS 1 HB2 HIS 1 5.208 -11.732 6.033 6 HB3 HIS 1 HB3 HIS 1 4.580 -12.962 4.941 7 HD1 HIS 1 HD1 HIS 1 2.859 -14.499 5.878 8 HD2 HIS 1 HD2 HIS 1 4.977 -12.515 8.852 9 HE1 HIS 1 HE1 HIS 1 1.720 -15.109 8.035 10 HE2 HIS 1 HE2 HIS 1 2.986 -13.856 9.817 11 H SER 2 H SER 2 5.589 -14.007 3.514 12 HA SER 2 HA SER 2 8.014 -13.678 2.050 13 HB2 SER 2 HB2 SER 2 5.349 -13.653 0.693 14 HB3 SER 2 HB3 SER 2 6.843 -14.460 0.215 15 HG SER 2 HG SER 2 6.482 -15.881 2.036 16 H VAL 3 H VAL 3 7.524 -12.333 -0.194 17 HA VAL 3 HA VAL 3 6.799 -9.608 0.663 18 HB VAL 3 HB VAL 3 8.572 -8.798 -0.942 19 HG11 VAL 3 HG11 VAL 3 10.024 -8.589 0.772 20 HG12 VAL 3 HG12 VAL 3 10.047 -10.321 1.105 21 HG13 VAL 3 HG13 VAL 3 8.715 -9.327 1.695 22 HG21 VAL 3 HG21 VAL 3 10.031 -11.345 -0.668 23 HG22 VAL 3 HG22 VAL 3 10.001 -10.189 -2.000 24 HG23 VAL 3 HG23 VAL 3 8.684 -11.346 -1.807 25 HA PRO 4 HA PRO 4 4.264 -10.869 -3.051 26 HB2 PRO 4 HB2 PRO 4 2.288 -9.175 -1.654 27 HB3 PRO 4 HB3 PRO 4 2.106 -10.802 -2.315 28 HG2 PRO 4 HG2 PRO 4 2.215 -10.377 0.326 29 HG3 PRO 4 HG3 PRO 4 2.947 -11.813 -0.413 30 HD2 PRO 4 HD2 PRO 4 4.258 -9.301 0.550 31 HD3 PRO 4 HD3 PRO 4 4.799 -10.986 0.704 32 H GLU 5 H GLU 5 3.237 -9.466 -4.654 33 HA GLU 5 HA GLU 5 4.427 -6.779 -4.647 34 HB2 GLU 5 HB2 GLU 5 4.270 -8.872 -6.661 35 HB3 GLU 5 HB3 GLU 5 3.682 -7.327 -7.260 36 HG2 GLU 5 HG2 GLU 5 5.795 -6.280 -6.541 37 HG3 GLU 5 HG3 GLU 5 6.380 -7.867 -6.042 38 H SER 6 H SER 6 1.844 -8.212 -6.545 39 HA SER 6 HA SER 6 0.239 -5.835 -6.301 40 HB2 SER 6 HB2 SER 6 -1.420 -7.217 -7.656 41 HB3 SER 6 HB3 SER 6 0.142 -6.920 -8.419 42 HG SER 6 HG SER 6 0.732 -8.988 -8.045 43 H ILE 7 H ILE 7 -2.098 -5.988 -5.675 44 HA ILE 7 HA ILE 7 -2.578 -7.984 -3.580 45 HB ILE 7 HB ILE 7 -1.754 -5.966 -2.454 46 HG12 ILE 7 HG12 ILE 7 -3.795 -5.584 -0.987 47 HG13 ILE 7 HG13 ILE 7 -4.677 -6.632 -2.092 48 HG21 ILE 7 HG21 ILE 7 -2.725 -3.858 -2.643 49 HG22 ILE 7 HG22 ILE 7 -4.192 -4.495 -3.385 50 HG23 ILE 7 HG23 ILE 7 -2.689 -4.448 -4.305 51 HD11 ILE 7 HD11 ILE 7 -3.519 -7.524 0.120 52 HD12 ILE 7 HD12 ILE 7 -2.147 -7.677 -0.978 53 HD13 ILE 7 HD13 ILE 7 -3.662 -8.506 -1.338 54 H ARG 8 H ARG 8 -4.315 -9.048 -4.261 55 HA ARG 8 HA ARG 8 -6.424 -7.628 -5.702 56 HB2 ARG 8 HB2 ARG 8 -5.296 -10.023 -6.215 57 HB3 ARG 8 HB3 ARG 8 -6.643 -10.543 -5.211 58 HG2 ARG 8 HG2 ARG 8 -7.117 -8.685 -7.499 59 HG3 ARG 8 HG3 ARG 8 -6.927 -10.417 -7.780 60 HD2 ARG 8 HD2 ARG 8 -8.746 -10.860 -6.192 61 HD3 ARG 8 HD3 ARG 8 -8.944 -9.126 -5.944 62 HE ARG 8 HE ARG 8 -9.860 -10.679 -8.189 63 HH11 ARG 8 HH11 ARG 8 -8.996 -7.489 -7.066 64 HH12 ARG 8 HH12 ARG 8 -9.954 -6.674 -8.256 65 HH21 ARG 8 HH21 ARG 8 -11.122 -9.608 -9.754 66 HH22 ARG 8 HH22 ARG 8 -11.162 -7.877 -9.781 67 H PHE 9 H PHE 9 -7.220 -6.484 -3.846 68 HA PHE 9 HA PHE 9 -8.439 -8.089 -1.737 69 HB2 PHE 9 HB2 PHE 9 -9.012 -5.799 -0.782 70 HB3 PHE 9 HB3 PHE 9 -7.301 -6.196 -0.882 71 HD1 PHE 9 HD1 PHE 9 -9.993 -4.117 -2.227 72 HD2 PHE 9 HD2 PHE 9 -5.843 -5.040 -2.414 73 HE1 PHE 9 HE1 PHE 9 -9.594 -2.049 -3.499 74 HE2 PHE 9 HE2 PHE 9 -5.436 -2.974 -3.686 75 HZ PHE 9 HZ PHE 9 -7.313 -1.475 -4.230 76 H GLY 10 H GLY 10 -10.369 -8.925 -2.197 77 HA2 GLY 10 HA2 GLY 10 -12.547 -9.102 -2.900 78 HA3 GLY 10 HA3 GLY 10 -12.654 -7.378 -2.577 79 HA PRO 11 HA PRO 11 -13.432 -7.671 -7.063 80 HB2 PRO 11 HB2 PRO 11 -14.890 -5.400 -7.235 81 HB3 PRO 11 HB3 PRO 11 -15.577 -6.929 -6.675 82 HG2 PRO 11 HG2 PRO 11 -14.601 -4.594 -5.074 83 HG3 PRO 11 HG3 PRO 11 -16.071 -5.562 -4.858 84 HD2 PRO 11 HD2 PRO 11 -13.836 -5.938 -3.370 85 HD3 PRO 11 HD3 PRO 11 -14.946 -7.259 -3.783 86 H ASN 12 H ASN 12 -11.693 -5.491 -5.130 87 HA ASN 12 HA ASN 12 -10.743 -4.004 -7.484 88 HB2 ASN 12 HB2 ASN 12 -10.929 -3.312 -4.573 89 HB3 ASN 12 HB3 ASN 12 -9.727 -2.512 -5.583 90 HD21 ASN 12 HD21 ASN 12 -13.140 -3.456 -5.870 91 HD22 ASN 12 HD22 ASN 12 -13.688 -1.928 -6.461 92 H VAL 13 H VAL 13 -8.466 -3.568 -7.654 93 HA VAL 13 HA VAL 13 -6.644 -5.160 -6.050 94 HB VAL 13 HB VAL 13 -7.315 -6.740 -7.804 95 HG11 VAL 13 HG11 VAL 13 -6.149 -4.803 -9.792 96 HG12 VAL 13 HG12 VAL 13 -7.878 -4.977 -9.490 97 HG13 VAL 13 HG13 VAL 13 -6.952 -6.338 -10.123 98 HG21 VAL 13 HG21 VAL 13 -4.507 -5.667 -8.015 99 HG22 VAL 13 HG22 VAL 13 -5.032 -7.189 -8.736 100 HG23 VAL 13 HG23 VAL 13 -5.086 -6.977 -6.986 101 H PHE 14 H PHE 14 -4.868 -3.996 -5.675 102 HA PHE 14 HA PHE 14 -4.383 -1.625 -7.308 103 HB2 PHE 14 HB2 PHE 14 -4.466 -1.246 -4.922 104 HB3 PHE 14 HB3 PHE 14 -3.259 -2.495 -4.639 105 HD1 PHE 14 HD1 PHE 14 -3.630 0.634 -6.648 106 HD2 PHE 14 HD2 PHE 14 -1.127 -1.790 -4.203 107 HE1 PHE 14 HE1 PHE 14 -1.848 2.324 -6.801 108 HE2 PHE 14 HE2 PHE 14 0.658 -0.103 -4.351 109 HZ PHE 14 HZ PHE 14 0.299 1.957 -5.651 110 H TYR 15 H TYR 15 -3.098 -1.885 -9.004 111 HA TYR 15 HA TYR 15 -1.128 -3.976 -9.126 112 HB2 TYR 15 HB2 TYR 15 -1.911 -1.752 -11.010 113 HB3 TYR 15 HB3 TYR 15 -0.571 -2.843 -11.347 114 HD1 TYR 15 HD1 TYR 15 -1.444 -5.449 -10.675 115 HD2 TYR 15 HD2 TYR 15 -3.737 -2.263 -12.316 116 HE1 TYR 15 HE1 TYR 15 -3.008 -7.081 -11.642 117 HE2 TYR 15 HE2 TYR 15 -5.308 -3.887 -13.287 118 HH TYR 15 HH TYR 15 -5.432 -7.096 -12.380 119 H VAL 16 H VAL 16 0.665 -3.762 -7.957 120 HA VAL 16 HA VAL 16 1.761 -1.349 -7.054 121 HB VAL 16 HB VAL 16 3.885 -2.782 -6.729 122 HG11 VAL 16 HG11 VAL 16 1.429 -3.846 -5.373 123 HG12 VAL 16 HG12 VAL 16 2.028 -2.216 -5.066 124 HG13 VAL 16 HG13 VAL 16 3.046 -3.611 -4.708 125 HG21 VAL 16 HG21 VAL 16 3.844 -5.031 -7.145 126 HG22 VAL 16 HG22 VAL 16 2.851 -4.461 -8.486 127 HG23 VAL 16 HG23 VAL 16 2.085 -5.129 -7.045 128 H LEU 17 H LEU 17 1.980 -2.820 -10.140 129 HA LEU 17 HA LEU 17 4.307 -1.146 -10.810 130 HB2 LEU 17 HB2 LEU 17 3.286 -3.726 -11.948 131 HB3 LEU 17 HB3 LEU 17 4.337 -2.686 -12.891 132 HG LEU 17 HG LEU 17 5.701 -4.356 -11.880 133 HD11 LEU 17 HD11 LEU 17 6.523 -1.988 -11.874 134 HD12 LEU 17 HD12 LEU 17 7.280 -3.047 -10.685 135 HD13 LEU 17 HD13 LEU 17 6.042 -1.898 -10.179 136 HD21 LEU 17 HD21 LEU 17 5.715 -4.894 -9.567 137 HD22 LEU 17 HD22 LEU 17 4.030 -4.917 -10.089 138 HD23 LEU 17 HD23 LEU 17 4.653 -3.541 -9.179 139 H LYS 18 H LYS 18 0.951 -1.614 -11.382 140 HA LYS 18 HA LYS 18 1.038 0.049 -13.794 141 HB2 LYS 18 HB2 LYS 18 -0.418 -2.215 -13.213 142 HB3 LYS 18 HB3 LYS 18 -1.586 -0.931 -12.944 143 HG2 LYS 18 HG2 LYS 18 -1.713 -0.402 -15.131 144 HG3 LYS 18 HG3 LYS 18 -0.006 -0.742 -15.425 145 HD2 LYS 18 HD2 LYS 18 -0.501 -3.157 -15.297 146 HD3 LYS 18 HD3 LYS 18 -2.211 -2.775 -15.096 147 HE2 LYS 18 HE2 LYS 18 -1.734 -1.373 -17.314 148 HE3 LYS 18 HE3 LYS 18 -0.489 -2.607 -17.505 149 HZ1 LYS 18 HZ1 LYS 18 -2.434 -4.211 -16.988 150 HZ2 LYS 18 HZ2 LYS 18 -2.288 -3.559 -18.541 151 HZ3 LYS 18 HZ3 LYS 18 -3.414 -2.914 -17.457 152 H LEU 19 H LEU 19 -0.113 0.010 -10.489 153 HA LEU 19 HA LEU 19 -0.913 1.649 -9.133 154 HB2 LEU 19 HB2 LEU 19 -0.125 3.536 -11.354 155 HB3 LEU 19 HB3 LEU 19 -0.471 3.974 -9.693 156 HG LEU 19 HG LEU 19 1.784 2.117 -10.409 157 HD11 LEU 19 HD11 LEU 19 2.992 4.476 -9.815 158 HD12 LEU 19 HD12 LEU 19 1.594 5.023 -10.741 159 HD13 LEU 19 HD13 LEU 19 2.723 3.867 -11.448 160 HD21 LEU 19 HD21 LEU 19 1.385 3.902 -8.017 161 HD22 LEU 19 HD22 LEU 19 2.608 2.650 -8.236 162 HD23 LEU 19 HD23 LEU 19 0.910 2.205 -8.067 163 H THR 20 H THR 20 -2.590 0.319 -11.146 164 HA THR 20 HA THR 20 -4.751 2.316 -11.261 165 HB THR 20 HB THR 20 -4.525 0.125 -13.300 166 HG1 THR 20 HG1 THR 20 -2.789 1.042 -14.014 167 HG21 THR 20 HG21 THR 20 -5.638 1.828 -14.731 168 HG22 THR 20 HG22 THR 20 -5.790 2.850 -13.302 169 HG23 THR 20 HG23 THR 20 -6.599 1.284 -13.357 170 H VAL 21 H VAL 21 -6.422 1.736 -10.054 171 HA VAL 21 HA VAL 21 -6.647 -0.954 -9.040 172 HB VAL 21 HB VAL 21 -8.691 1.212 -8.625 173 HG11 VAL 21 HG11 VAL 21 -7.985 -1.366 -7.372 174 HG12 VAL 21 HG12 VAL 21 -9.553 -0.580 -7.551 175 HG13 VAL 21 HG13 VAL 21 -8.449 -0.063 -6.277 176 HG21 VAL 21 HG21 VAL 21 -5.906 1.100 -7.653 177 HG22 VAL 21 HG22 VAL 21 -7.137 1.475 -6.446 178 HG23 VAL 21 HG23 VAL 21 -6.974 2.484 -7.884 179 H GLU 22 H GLU 22 -7.464 -2.478 -10.322 180 HA GLU 22 HA GLU 22 -9.344 -1.905 -12.407 181 HB2 GLU 22 HB2 GLU 22 -7.860 -4.271 -11.437 182 HB3 GLU 22 HB3 GLU 22 -9.395 -4.607 -12.227 183 HG2 GLU 22 HG2 GLU 22 -7.337 -2.836 -13.491 184 HG3 GLU 22 HG3 GLU 22 -7.279 -4.590 -13.656 185 H THR 23 H THR 23 -11.398 -1.470 -11.983 186 HA THR 23 HA THR 23 -12.702 -2.766 -9.704 187 HB THR 23 HB THR 23 -14.533 -0.978 -10.639 188 HG1 THR 23 HG1 THR 23 -11.994 0.203 -11.068 189 HG21 THR 23 HG21 THR 23 -12.339 0.046 -8.897 190 HG22 THR 23 HG22 THR 23 -13.422 -1.223 -8.323 191 HG23 THR 23 HG23 THR 23 -14.075 0.341 -8.809 192 HA PRO 24 HA PRO 24 -15.319 -5.233 -12.248 193 HB2 PRO 24 HB2 PRO 24 -17.673 -5.208 -10.951 194 HB3 PRO 24 HB3 PRO 24 -16.237 -5.973 -10.268 195 HG2 PRO 24 HG2 PRO 24 -17.436 -3.309 -9.656 196 HG3 PRO 24 HG3 PRO 24 -16.754 -4.513 -8.548 197 HD2 PRO 24 HD2 PRO 24 -15.411 -2.295 -9.419 198 HD3 PRO 24 HD3 PRO 24 -14.611 -3.783 -8.888 199 H GLU 25 H GLU 25 -15.976 -1.913 -11.947 200 HA GLU 25 HA GLU 25 -17.855 -2.058 -14.209 201 HB2 GLU 25 HB2 GLU 25 -18.873 -1.369 -11.963 202 HB3 GLU 25 HB3 GLU 25 -17.939 0.112 -12.121 203 HG2 GLU 25 HG2 GLU 25 -19.132 0.101 -14.512 204 HG3 GLU 25 HG3 GLU 25 -20.339 -0.787 -13.584 205 H GLY 26 H GLY 26 -14.939 -1.757 -14.163 206 HA2 GLY 26 HA2 GLY 26 -14.174 -0.318 -16.150 207 HA3 GLY 26 HA3 GLY 26 -14.645 1.017 -15.110 208 H SER 27 H SER 27 -12.777 1.981 -14.590 209 HA SER 27 HA SER 27 -10.844 0.430 -13.051 210 HB2 SER 27 HB2 SER 27 -8.962 1.574 -14.331 211 HB3 SER 27 HB3 SER 27 -9.819 0.299 -15.196 212 HG SER 27 HG SER 27 -9.474 2.792 -15.952 213 H VAL 28 H VAL 28 -9.147 1.950 -12.080 214 HA VAL 28 HA VAL 28 -10.134 4.667 -11.670 215 HB VAL 28 HB VAL 28 -9.540 2.877 -9.314 216 HG11 VAL 28 HG11 VAL 28 -10.457 4.696 -7.997 217 HG12 VAL 28 HG12 VAL 28 -10.783 5.621 -9.463 218 HG13 VAL 28 HG13 VAL 28 -9.119 5.278 -8.989 219 HG21 VAL 28 HG21 VAL 28 -12.234 3.782 -10.326 220 HG22 VAL 28 HG22 VAL 28 -11.925 2.821 -8.880 221 HG23 VAL 28 HG23 VAL 28 -11.587 2.149 -10.476 222 H HIS 29 H HIS 29 -8.541 6.127 -11.363 223 HA HIS 29 HA HIS 29 -5.792 5.097 -11.277 224 HB2 HIS 29 HB2 HIS 29 -6.937 6.887 -13.006 225 HB3 HIS 29 HB3 HIS 29 -6.178 7.960 -11.836 226 HD1 HIS 29 HD1 HIS 29 -3.906 5.413 -11.626 227 HD2 HIS 29 HD2 HIS 29 -4.859 7.998 -14.736 228 HE1 HIS 29 HE1 HIS 29 -1.887 5.436 -13.122 229 HE2 HIS 29 HE2 HIS 29 -2.525 6.929 -15.049 230 H LEU 30 H LEU 30 -4.207 6.660 -10.173 231 HA LEU 30 HA LEU 30 -5.186 8.280 -8.042 232 HB2 LEU 30 HB2 LEU 30 -4.859 6.966 -6.191 233 HB3 LEU 30 HB3 LEU 30 -5.469 5.783 -7.330 234 HG LEU 30 HG LEU 30 -2.593 6.182 -6.506 235 HD11 LEU 30 HD11 LEU 30 -3.306 4.857 -4.840 236 HD12 LEU 30 HD12 LEU 30 -3.204 3.584 -6.057 237 HD13 LEU 30 HD13 LEU 30 -4.753 4.356 -5.716 238 HD21 LEU 30 HD21 LEU 30 -1.931 4.556 -8.042 239 HD22 LEU 30 HD22 LEU 30 -3.019 5.595 -8.962 240 HD23 LEU 30 HD23 LEU 30 -3.588 4.041 -8.354 241 H THR 31 H THR 31 -3.388 9.077 -6.637 242 HA THR 31 HA THR 31 -1.169 9.825 -8.252 243 HB THR 31 HB THR 31 -1.092 10.171 -5.289 244 HG1 THR 31 HG1 THR 31 -2.974 11.059 -5.257 245 HG21 THR 31 HG21 THR 31 0.029 12.091 -5.698 246 HG22 THR 31 HG22 THR 31 -0.837 12.410 -7.201 247 HG23 THR 31 HG23 THR 31 0.457 11.212 -7.166 248 HA PRO 32 HA PRO 32 1.279 6.210 -7.323 249 HB2 PRO 32 HB2 PRO 32 3.574 7.011 -8.534 250 HB3 PRO 32 HB3 PRO 32 2.174 6.410 -9.429 251 HG2 PRO 32 HG2 PRO 32 3.028 9.236 -8.928 252 HG3 PRO 32 HG3 PRO 32 2.431 8.497 -10.425 253 HD2 PRO 32 HD2 PRO 32 0.852 9.995 -8.820 254 HD3 PRO 32 HD3 PRO 32 0.226 8.622 -9.757 255 H SER 33 H SER 33 2.077 9.456 -6.428 256 HA SER 33 HA SER 33 4.358 8.761 -4.847 257 HB2 SER 33 HB2 SER 33 3.974 11.125 -3.895 258 HB3 SER 33 HB3 SER 33 4.371 10.996 -5.608 259 HG SER 33 HG SER 33 2.479 11.771 -6.087 260 H GLU 34 H GLU 34 0.967 9.317 -4.249 261 HA GLU 34 HA GLU 34 1.264 8.888 -1.408 262 HB2 GLU 34 HB2 GLU 34 -0.941 9.655 -3.230 263 HB3 GLU 34 HB3 GLU 34 -1.413 8.738 -1.808 264 HG2 GLU 34 HG2 GLU 34 -1.404 10.623 -0.658 265 HG3 GLU 34 HG3 GLU 34 0.343 10.703 -0.881 266 H SER 35 H SER 35 0.155 7.166 -4.229 267 HA SER 35 HA SER 35 -0.669 4.849 -2.774 268 HB2 SER 35 HB2 SER 35 -1.306 3.993 -4.796 269 HB3 SER 35 HB3 SER 35 -1.164 5.677 -5.291 270 HG SER 35 HG SER 35 -0.050 4.048 -6.626 271 H GLY 36 H GLY 36 2.317 6.214 -3.674 272 HA2 GLY 36 HA2 GLY 36 3.865 3.859 -3.956 273 HA3 GLY 36 HA3 GLY 36 4.481 5.457 -3.574 274 H ILE 37 H ILE 37 2.824 5.753 -1.208 275 HA ILE 37 HA ILE 37 4.573 4.457 0.655 276 HB ILE 37 HB ILE 37 3.629 6.689 1.116 277 HG12 ILE 37 HG12 ILE 37 4.372 5.054 2.929 278 HG13 ILE 37 HG13 ILE 37 3.345 6.387 3.441 279 HG21 ILE 37 HG21 ILE 37 1.145 5.343 0.590 280 HG22 ILE 37 HG22 ILE 37 1.485 7.067 0.716 281 HG23 ILE 37 HG23 ILE 37 1.104 6.136 2.163 282 HD11 ILE 37 HD11 ILE 37 1.604 4.287 2.817 283 HD12 ILE 37 HD12 ILE 37 2.028 4.904 4.413 284 HD13 ILE 37 HD13 ILE 37 2.940 3.567 3.714 285 H LEU 38 H LEU 38 1.429 3.822 -0.638 286 HA LEU 38 HA LEU 38 0.723 1.841 1.311 287 HB2 LEU 38 HB2 LEU 38 -1.304 2.034 0.402 288 HB3 LEU 38 HB3 LEU 38 -0.637 3.278 -0.632 289 HG LEU 38 HG LEU 38 -0.025 1.029 -2.061 290 HD11 LEU 38 HD11 LEU 38 -1.696 0.031 -0.142 291 HD12 LEU 38 HD12 LEU 38 -1.437 -0.677 -1.736 292 HD13 LEU 38 HD13 LEU 38 -2.813 0.390 -1.459 293 HD21 LEU 38 HD21 LEU 38 -0.950 2.894 -3.130 294 HD22 LEU 38 HD22 LEU 38 -2.398 2.863 -2.124 295 HD23 LEU 38 HD23 LEU 38 -2.147 1.617 -3.347 296 H LYS 39 H LYS 39 2.653 1.943 -1.502 297 HA LYS 39 HA LYS 39 2.458 -0.823 -2.184 298 HB2 LYS 39 HB2 LYS 39 3.143 1.101 -3.724 299 HB3 LYS 39 HB3 LYS 39 4.713 1.019 -2.938 300 HG2 LYS 39 HG2 LYS 39 3.577 -1.489 -4.047 301 HG3 LYS 39 HG3 LYS 39 4.203 -0.283 -5.173 302 HD2 LYS 39 HD2 LYS 39 5.757 -1.365 -2.827 303 HD3 LYS 39 HD3 LYS 39 5.868 -2.012 -4.465 304 HE2 LYS 39 HE2 LYS 39 6.178 0.837 -4.527 305 HE3 LYS 39 HE3 LYS 39 7.293 0.146 -3.350 306 HZ1 LYS 39 HZ1 LYS 39 7.618 -1.534 -5.387 307 HZ2 LYS 39 HZ2 LYS 39 8.560 -0.147 -5.167 308 HZ3 LYS 39 HZ3 LYS 39 7.252 -0.118 -6.239 309 H ARG 40 H ARG 40 4.580 1.142 -0.218 310 HA ARG 40 HA ARG 40 6.497 -0.926 0.229 311 HB2 ARG 40 HB2 ARG 40 6.075 1.829 1.134 312 HB3 ARG 40 HB3 ARG 40 6.797 0.791 2.355 313 HG2 ARG 40 HG2 ARG 40 8.769 0.789 1.327 314 HG3 ARG 40 HG3 ARG 40 8.040 0.451 -0.243 315 HD2 ARG 40 HD2 ARG 40 7.774 3.184 0.917 316 HD3 ARG 40 HD3 ARG 40 9.313 2.707 0.203 317 HE ARG 40 HE ARG 40 6.979 3.445 -1.194 318 HH11 ARG 40 HH11 ARG 40 9.583 1.124 -1.309 319 HH12 ARG 40 HH12 ARG 40 9.508 0.938 -3.029 320 HH21 ARG 40 HH21 ARG 40 6.878 3.200 -3.456 321 HH22 ARG 40 HH22 ARG 40 7.973 2.117 -4.248 322 H LEU 41 H LEU 41 3.651 0.204 1.901 323 HA LEU 41 HA LEU 41 4.032 -1.507 4.174 324 HB2 LEU 41 HB2 LEU 41 1.756 0.186 3.185 325 HB3 LEU 41 HB3 LEU 41 1.526 -0.930 4.516 326 HG LEU 41 HG LEU 41 3.351 1.467 4.430 327 HD11 LEU 41 HD11 LEU 41 1.456 2.407 5.170 328 HD12 LEU 41 HD12 LEU 41 1.854 1.617 6.696 329 HD13 LEU 41 HD13 LEU 41 0.725 0.854 5.576 330 HD21 LEU 41 HD21 LEU 41 3.520 0.558 6.978 331 HD22 LEU 41 HD22 LEU 41 4.720 0.242 5.725 332 HD23 LEU 41 HD23 LEU 41 3.480 -0.960 6.081 333 H LEU 42 H LEU 42 2.839 -1.885 1.001 334 HA LEU 42 HA LEU 42 1.087 -4.083 1.523 335 HB2 LEU 42 HB2 LEU 42 1.673 -2.430 -0.668 336 HB3 LEU 42 HB3 LEU 42 2.131 -4.047 -1.168 337 HG LEU 42 HG LEU 42 -0.135 -3.625 -1.854 338 HD11 LEU 42 HD11 LEU 42 0.220 -5.883 -1.265 339 HD12 LEU 42 HD12 LEU 42 -1.320 -5.424 -0.538 340 HD13 LEU 42 HD13 LEU 42 0.130 -5.525 0.460 341 HD21 LEU 42 HD21 LEU 42 -0.410 -1.935 0.137 342 HD22 LEU 42 HD22 LEU 42 -1.080 -3.346 0.958 343 HD23 LEU 42 HD23 LEU 42 -1.808 -2.769 -0.541 344 H ILE 43 H ILE 43 4.469 -3.661 0.855 345 HA ILE 43 HA ILE 43 5.071 -6.331 0.129 346 HB ILE 43 HB ILE 43 6.929 -4.407 1.530 347 HG12 ILE 43 HG12 ILE 43 5.987 -3.279 -0.398 348 HG13 ILE 43 HG13 ILE 43 7.646 -3.744 -0.757 349 HG21 ILE 43 HG21 ILE 43 7.230 -7.017 0.209 350 HG22 ILE 43 HG22 ILE 43 8.203 -6.260 1.471 351 HG23 ILE 43 HG23 ILE 43 8.441 -5.807 -0.217 352 HD11 ILE 43 HD11 ILE 43 6.882 -5.601 -2.083 353 HD12 ILE 43 HD12 ILE 43 6.104 -4.117 -2.634 354 HD13 ILE 43 HD13 ILE 43 5.207 -5.266 -1.642 355 H ASN 44 H ASN 44 4.573 -4.726 3.178 356 HA ASN 44 HA ASN 44 5.511 -7.051 4.672 357 HB2 ASN 44 HB2 ASN 44 4.463 -4.420 5.722 358 HB3 ASN 44 HB3 ASN 44 5.281 -5.669 6.655 359 HD21 ASN 44 HD21 ASN 44 5.946 -2.845 6.213 360 HD22 ASN 44 HD22 ASN 44 7.551 -2.838 5.574 361 H LYS 45 H LYS 45 2.630 -5.142 4.123 362 HA LYS 45 HA LYS 45 0.420 -5.490 4.569 363 HB2 LYS 45 HB2 LYS 45 1.491 -8.091 3.609 364 HB3 LYS 45 HB3 LYS 45 -0.133 -8.087 4.283 365 HG2 LYS 45 HG2 LYS 45 -0.002 -5.898 2.527 366 HG3 LYS 45 HG3 LYS 45 0.756 -7.258 1.696 367 HD2 LYS 45 HD2 LYS 45 -1.331 -7.867 1.156 368 HD3 LYS 45 HD3 LYS 45 -1.462 -8.411 2.830 369 HE2 LYS 45 HE2 LYS 45 -2.146 -5.622 1.920 370 HE3 LYS 45 HE3 LYS 45 -3.326 -6.927 2.036 371 HZ1 LYS 45 HZ1 LYS 45 -3.037 -5.321 4.007 372 HZ2 LYS 45 HZ2 LYS 45 -1.654 -6.228 4.360 373 HZ3 LYS 45 HZ3 LYS 45 -3.170 -6.978 4.324 374 H GLY 46 H GLY 46 0.499 -4.898 6.779 375 HA2 GLY 46 HA2 GLY 46 -0.185 -5.273 8.952 376 HA3 GLY 46 HA3 GLY 46 -0.420 -6.964 8.539 377 H GLN 47 H GLN 47 2.246 -4.643 9.004 378 HA GLN 47 HA GLN 47 3.590 -6.665 10.655 379 HB2 GLN 47 HB2 GLN 47 4.545 -6.550 8.310 380 HB3 GLN 47 HB3 GLN 47 5.061 -4.912 8.688 381 HG2 GLN 47 HG2 GLN 47 6.871 -5.656 9.715 382 HG3 GLN 47 HG3 GLN 47 5.909 -6.701 10.758 383 HE21 GLN 47 HE21 GLN 47 6.389 -8.762 10.633 384 HE22 GLN 47 HE22 GLN 47 7.043 -9.580 9.259 385 H LEU 48 H LEU 48 4.978 -5.834 12.274 386 HA LEU 48 HA LEU 48 4.092 -3.384 13.407 387 HB2 LEU 48 HB2 LEU 48 5.345 -5.641 14.351 388 HB3 LEU 48 HB3 LEU 48 6.621 -4.442 14.437 389 HG LEU 48 HG LEU 48 3.904 -4.218 15.736 390 HD11 LEU 48 HD11 LEU 48 6.478 -4.338 17.226 391 HD12 LEU 48 HD12 LEU 48 5.772 -5.835 16.617 392 HD13 LEU 48 HD13 LEU 48 4.857 -4.817 17.729 393 HD21 LEU 48 HD21 LEU 48 4.309 -2.066 16.141 394 HD22 LEU 48 HD22 LEU 48 5.592 -2.170 14.936 395 HD23 LEU 48 HD23 LEU 48 5.967 -2.396 16.644 396 H CYS 49 H CYS 49 4.742 -1.404 12.958 397 HA CYS 49 HA CYS 49 7.523 -0.890 12.260 398 HB2 CYS 49 HB2 CYS 49 5.184 -0.371 10.452 399 HB3 CYS 49 HB3 CYS 49 6.599 0.674 10.388 400 HG CYS 49 HG CYS 49 7.629 -0.997 8.943 401 H LEU 50 H LEU 50 7.878 1.559 12.070 402 HA LEU 50 HA LEU 50 6.285 2.874 14.168 403 HB2 LEU 50 HB2 LEU 50 9.136 3.376 13.311 404 HB3 LEU 50 HB3 LEU 50 8.280 4.298 14.531 405 HG LEU 50 HG LEU 50 9.713 2.745 15.647 406 HD11 LEU 50 HD11 LEU 50 7.108 2.998 16.213 407 HD12 LEU 50 HD12 LEU 50 8.213 2.010 17.167 408 HD13 LEU 50 HD13 LEU 50 7.182 1.256 15.951 409 HD21 LEU 50 HD21 LEU 50 10.074 0.592 15.057 410 HD22 LEU 50 HD22 LEU 50 9.511 1.170 13.489 411 HD23 LEU 50 HD23 LEU 50 8.399 0.330 14.569 412 H ARG 51 H ARG 51 5.564 4.979 13.873 413 HA ARG 51 HA ARG 51 4.859 5.725 11.271 414 HB2 ARG 51 HB2 ARG 51 4.049 7.801 12.240 415 HB3 ARG 51 HB3 ARG 51 3.631 6.451 13.285 416 HG2 ARG 51 HG2 ARG 51 6.104 7.330 14.212 417 HG3 ARG 51 HG3 ARG 51 5.201 8.801 13.849 418 HD2 ARG 51 HD2 ARG 51 3.419 7.033 15.146 419 HD3 ARG 51 HD3 ARG 51 4.924 7.014 16.064 420 HE ARG 51 HE ARG 51 4.522 9.174 16.715 421 HH11 ARG 51 HH11 ARG 51 2.385 8.367 14.076 422 HH12 ARG 51 HH12 ARG 51 1.443 9.812 14.233 423 HH21 ARG 51 HH21 ARG 51 3.284 11.074 16.922 424 HH22 ARG 51 HH22 ARG 51 1.953 11.348 15.847 425 H LYS 52 H LYS 52 7.623 6.501 13.212 426 HA LYS 52 HA LYS 52 8.529 8.535 11.348 427 HB2 LYS 52 HB2 LYS 52 8.889 8.774 13.814 428 HB3 LYS 52 HB3 LYS 52 9.973 7.392 13.749 429 HG2 LYS 52 HG2 LYS 52 11.626 8.814 13.367 430 HG3 LYS 52 HG3 LYS 52 10.914 9.117 11.782 431 HD2 LYS 52 HD2 LYS 52 9.489 10.878 12.864 432 HD3 LYS 52 HD3 LYS 52 10.444 10.654 14.332 433 HE2 LYS 52 HE2 LYS 52 11.462 11.533 11.633 434 HE3 LYS 52 HE3 LYS 52 11.292 12.538 13.072 435 HZ1 LYS 52 HZ1 LYS 52 13.494 11.996 13.171 436 HZ2 LYS 52 HZ2 LYS 52 13.284 10.469 12.475 437 HZ3 LYS 52 HZ3 LYS 52 12.851 10.729 14.089 438 H HIS 53 H HIS 53 8.764 5.181 11.725 439 HA HIS 53 HA HIS 53 11.263 4.992 10.241 440 HB2 HIS 53 HB2 HIS 53 10.992 3.390 12.035 441 HB3 HIS 53 HB3 HIS 53 9.423 2.901 11.408 442 HD1 HIS 53 HD1 HIS 53 13.032 2.918 10.187 443 HD2 HIS 53 HD2 HIS 53 9.565 0.642 9.929 444 HE1 HIS 53 HE1 HIS 53 13.663 0.882 8.853 445 HE2 HIS 53 HE2 HIS 53 11.571 -0.520 8.781 446 H LEU 54 H LEU 54 7.855 4.889 9.804 447 HA LEU 54 HA LEU 54 7.842 3.523 7.310 448 HB2 LEU 54 HB2 LEU 54 5.917 4.247 9.079 449 HB3 LEU 54 HB3 LEU 54 5.700 5.479 7.850 450 HG LEU 54 HG LEU 54 5.878 2.686 6.883 451 HD11 LEU 54 HD11 LEU 54 3.920 3.554 8.876 452 HD12 LEU 54 HD12 LEU 54 4.366 1.930 8.350 453 HD13 LEU 54 HD13 LEU 54 3.211 2.875 7.411 454 HD21 LEU 54 HD21 LEU 54 4.168 5.081 6.231 455 HD22 LEU 54 HD22 LEU 54 4.053 3.519 5.419 456 HD23 LEU 54 HD23 LEU 54 5.538 4.464 5.307 457 H LEU 55 H LEU 55 8.476 6.778 8.312 458 HA LEU 55 HA LEU 55 8.025 7.932 5.737 459 HB2 LEU 55 HB2 LEU 55 8.582 9.941 6.654 460 HB3 LEU 55 HB3 LEU 55 8.086 9.066 8.080 461 HG LEU 55 HG LEU 55 10.663 10.287 7.419 462 HD11 LEU 55 HD11 LEU 55 9.807 9.299 10.099 463 HD12 LEU 55 HD12 LEU 55 8.965 10.658 9.351 464 HD13 LEU 55 HD13 LEU 55 10.697 10.760 9.668 465 HD21 LEU 55 HD21 LEU 55 11.754 8.499 9.023 466 HD22 LEU 55 HD22 LEU 55 11.774 8.300 7.275 467 HD23 LEU 55 HD23 LEU 55 10.582 7.435 8.249 468 H GLU 56 H GLU 56 10.469 5.968 6.993 469 HA GLU 56 HA GLU 56 12.617 7.010 5.393 470 HB2 GLU 56 HB2 GLU 56 12.236 4.769 7.286 471 HB3 GLU 56 HB3 GLU 56 13.451 4.521 6.039 472 HG2 GLU 56 HG2 GLU 56 13.843 7.111 7.098 473 HG3 GLU 56 HG3 GLU 56 13.641 6.005 8.455 474 H GLU 57 H GLU 57 10.051 4.739 4.999 475 HA GLU 57 HA GLU 57 11.154 3.280 2.835 476 HB2 GLU 57 HB2 GLU 57 8.204 3.700 3.205 477 HB3 GLU 57 HB3 GLU 57 9.041 2.279 2.599 478 HG2 GLU 57 HG2 GLU 57 9.980 2.634 5.202 479 HG3 GLU 57 HG3 GLU 57 8.245 2.933 5.280 480 H ILE 58 H ILE 58 9.072 6.091 3.037 481 HA ILE 58 HA ILE 58 8.962 6.370 0.175 482 HB ILE 58 HB ILE 58 8.343 8.761 1.795 483 HG12 ILE 58 HG12 ILE 58 6.810 6.173 2.085 484 HG13 ILE 58 HG13 ILE 58 7.465 7.190 3.365 485 HG21 ILE 58 HG21 ILE 58 6.534 8.962 0.257 486 HG22 ILE 58 HG22 ILE 58 6.706 7.283 -0.257 487 HG23 ILE 58 HG23 ILE 58 7.953 8.464 -0.665 488 HD11 ILE 58 HD11 ILE 58 5.241 8.021 1.518 489 HD12 ILE 58 HD12 ILE 58 5.820 8.874 2.950 490 HD13 ILE 58 HD13 ILE 58 5.007 7.319 3.118 491 H LYS 59 H LYS 59 11.031 7.311 2.743 492 HA LYS 59 HA LYS 59 12.299 9.526 1.511 493 HB2 LYS 59 HB2 LYS 59 12.428 8.566 3.985 494 HB3 LYS 59 HB3 LYS 59 13.820 7.712 3.335 495 HG2 LYS 59 HG2 LYS 59 14.322 10.218 2.458 496 HG3 LYS 59 HG3 LYS 59 13.468 10.559 3.964 497 HD2 LYS 59 HD2 LYS 59 15.121 8.658 4.848 498 HD3 LYS 59 HD3 LYS 59 16.101 9.271 3.514 499 HE2 LYS 59 HE2 LYS 59 16.173 11.441 4.430 500 HE3 LYS 59 HE3 LYS 59 14.866 11.092 5.561 501 HZ1 LYS 59 HZ1 LYS 59 17.690 10.265 5.680 502 HZ2 LYS 59 HZ2 LYS 59 16.511 9.344 6.470 503 HZ3 LYS 59 HZ3 LYS 59 16.731 10.969 6.884 504 H ASN 60 H ASN 60 12.679 6.045 1.321 505 HA ASN 60 HA ASN 60 15.021 6.302 -0.376 506 HB2 ASN 60 HB2 ASN 60 14.463 4.450 1.481 507 HB3 ASN 60 HB3 ASN 60 13.751 3.656 0.080 508 HD21 ASN 60 HD21 ASN 60 16.610 4.417 1.742 509 HD22 ASN 60 HD22 ASN 60 17.729 3.738 0.615 510 H HIS 61 H HIS 61 12.713 7.456 -1.404 511 HA HIS 61 HA HIS 61 12.514 6.167 -3.929 512 HB2 HIS 61 HB2 HIS 61 10.914 4.813 -2.560 513 HB3 HIS 61 HB3 HIS 61 9.995 6.282 -2.257 514 HD1 HIS 61 HD1 HIS 61 10.751 3.774 -4.923 515 HD2 HIS 61 HD2 HIS 61 8.440 7.188 -4.404 516 HE1 HIS 61 HE1 HIS 61 9.206 3.848 -6.905 517 HE2 HIS 61 HE2 HIS 61 7.886 5.975 -6.619 518 H ALA 62 H ALA 62 10.816 8.393 -1.752 519 HA ALA 62 HA ALA 62 11.444 10.731 -3.133 520 HB1 ALA 62 HB1 ALA 62 10.129 10.162 -4.974 521 HB2 ALA 62 HB2 ALA 62 9.070 11.196 -4.014 522 HB3 ALA 62 HB3 ALA 62 8.868 9.443 -3.972 523 H LYS 63 H LYS 63 11.718 11.393 -0.985 524 HA LYS 63 HA LYS 63 9.652 11.255 0.963 525 HB2 LYS 63 HB2 LYS 63 11.086 12.917 2.199 526 HB3 LYS 63 HB3 LYS 63 11.899 11.426 1.743 527 HG2 LYS 63 HG2 LYS 63 12.312 13.196 -0.386 528 HG3 LYS 63 HG3 LYS 63 12.558 14.140 1.085 529 HD2 LYS 63 HD2 LYS 63 14.044 12.244 1.881 530 HD3 LYS 63 HD3 LYS 63 13.965 11.618 0.232 531 HE2 LYS 63 HE2 LYS 63 14.955 13.633 -0.633 532 HE3 LYS 63 HE3 LYS 63 14.892 14.395 0.956 533 HZ1 LYS 63 HZ1 LYS 63 16.298 12.207 1.509 534 HZ2 LYS 63 HZ2 LYS 63 17.005 13.673 1.051 535 HZ3 LYS 63 HZ3 LYS 63 16.775 12.452 -0.096 536 H ALA 64 H ALA 64 8.054 12.110 -0.744 537 HA ALA 64 HA ALA 64 6.654 13.742 -1.495 538 HB1 ALA 64 HB1 ALA 64 7.403 15.452 0.831 539 HB2 ALA 64 HB2 ALA 64 6.605 13.904 1.113 540 HB3 ALA 64 HB3 ALA 64 5.817 15.137 0.129 541 H ILE 65 H ILE 65 7.669 14.439 -3.354 542 HA ILE 65 HA ILE 65 9.652 16.569 -3.145 543 HB ILE 65 HB ILE 65 8.647 15.281 -5.679 544 HG12 ILE 65 HG12 ILE 65 11.155 14.493 -4.200 545 HG13 ILE 65 HG13 ILE 65 9.623 13.662 -3.948 546 HG21 ILE 65 HG21 ILE 65 11.405 16.220 -5.540 547 HG22 ILE 65 HG22 ILE 65 10.215 17.499 -5.303 548 HG23 ILE 65 HG23 ILE 65 10.167 16.510 -6.762 549 HD11 ILE 65 HD11 ILE 65 10.907 12.414 -5.514 550 HD12 ILE 65 HD12 ILE 65 11.198 13.847 -6.501 551 HD13 ILE 65 HD13 ILE 65 9.573 13.170 -6.386 552 H VAL 66 H VAL 66 6.961 17.123 -2.392 553 HA VAL 66 HA VAL 66 6.555 19.539 -3.814 554 HB VAL 66 HB VAL 66 5.612 17.922 -5.452 555 HG11 VAL 66 HG11 VAL 66 4.064 16.382 -4.953 556 HG12 VAL 66 HG12 VAL 66 3.162 17.485 -3.914 557 HG13 VAL 66 HG13 VAL 66 4.574 16.638 -3.284 558 HG21 VAL 66 HG21 VAL 66 4.063 19.424 -6.112 559 HG22 VAL 66 HG22 VAL 66 4.706 20.366 -4.767 560 HG23 VAL 66 HG23 VAL 66 3.236 19.415 -4.554 561 H ALA 67 H ALA 67 6.898 18.903 -1.120 562 HA ALA 67 HA ALA 67 6.052 19.310 0.956 563 HB1 ALA 67 HB1 ALA 67 3.912 20.898 0.800 564 HB2 ALA 67 HB2 ALA 67 4.531 21.107 -0.838 565 HB3 ALA 67 HB3 ALA 67 5.556 21.486 0.546 566 H ARG 68 H ARG 68 5.478 16.964 0.873 567 HA ARG 68 HA ARG 68 2.756 16.623 1.732 568 HB2 ARG 68 HB2 ARG 68 3.729 15.313 -0.806 569 HB3 ARG 68 HB3 ARG 68 2.346 14.725 0.106 570 HG2 ARG 68 HG2 ARG 68 1.332 17.009 -0.161 571 HG3 ARG 68 HG3 ARG 68 2.641 17.369 -1.289 572 HD2 ARG 68 HD2 ARG 68 1.927 15.288 -2.551 573 HD3 ARG 68 HD3 ARG 68 0.480 15.293 -1.545 574 HE ARG 68 HE ARG 68 0.888 17.820 -2.778 575 HH11 ARG 68 HH11 ARG 68 -0.242 14.580 -3.410 576 HH12 ARG 68 HH12 ARG 68 -1.293 15.063 -4.698 577 HH21 ARG 68 HH21 ARG 68 -0.493 18.459 -4.471 578 HH22 ARG 68 HH22 ARG 68 -1.435 17.266 -5.301 579 H ASN 69 H ASN 69 4.771 16.344 3.353 580 HA ASN 69 HA ASN 69 6.380 14.198 3.566 581 HB2 ASN 69 HB2 ASN 69 6.038 14.280 6.029 582 HB3 ASN 69 HB3 ASN 69 6.278 15.869 5.310 583 HD21 ASN 69 HD21 ASN 69 4.857 17.395 5.766 584 HD22 ASN 69 HD22 ASN 69 3.306 17.147 6.484 585 H VAL 70 H VAL 70 6.222 12.151 4.748 586 HA VAL 70 HA VAL 70 4.433 10.390 3.664 587 HB VAL 70 HB VAL 70 6.492 9.705 4.822 588 HG11 VAL 70 HG11 VAL 70 5.941 9.308 7.421 589 HG12 VAL 70 HG12 VAL 70 5.060 10.811 7.148 590 HG13 VAL 70 HG13 VAL 70 6.788 10.728 6.808 591 HG21 VAL 70 HG21 VAL 70 4.150 8.317 4.616 592 HG22 VAL 70 HG22 VAL 70 4.548 8.120 6.323 593 HG23 VAL 70 HG23 VAL 70 5.705 7.628 5.085 594 H ASP 71 H ASP 71 3.886 12.516 6.329 595 HA ASP 71 HA ASP 71 1.590 11.079 7.303 596 HB2 ASP 71 HB2 ASP 71 3.169 13.358 8.163 597 HB3 ASP 71 HB3 ASP 71 1.444 13.682 8.305 598 H VAL 72 H VAL 72 2.201 13.875 5.302 599 HA VAL 72 HA VAL 72 -0.574 14.526 4.981 600 HB VAL 72 HB VAL 72 1.756 15.405 3.266 601 HG11 VAL 72 HG11 VAL 72 -1.008 16.557 3.633 602 HG12 VAL 72 HG12 VAL 72 -0.389 15.754 2.190 603 HG13 VAL 72 HG13 VAL 72 0.290 17.300 2.698 604 HG21 VAL 72 HG21 VAL 72 0.587 17.197 5.313 605 HG22 VAL 72 HG22 VAL 72 2.248 17.067 4.733 606 HG23 VAL 72 HG23 VAL 72 1.622 15.890 5.888 607 H HIS 73 H HIS 73 1.573 12.260 3.605 608 HA HIS 73 HA HIS 73 0.204 11.992 1.094 609 HB2 HIS 73 HB2 HIS 73 2.569 10.834 2.376 610 HB3 HIS 73 HB3 HIS 73 1.653 9.668 1.427 611 HD1 HIS 73 HD1 HIS 73 4.028 9.826 0.031 612 HD2 HIS 73 HD2 HIS 73 1.395 13.025 -0.267 613 HE1 HIS 73 HE1 HIS 73 4.725 11.079 -2.034 614 HE2 HIS 73 HE2 HIS 73 3.203 13.085 -2.114 615 H ILE 74 H ILE 74 -0.034 10.636 4.273 616 HA ILE 74 HA ILE 74 -1.573 8.350 3.506 617 HB ILE 74 HB ILE 74 -1.174 9.665 6.191 618 HG12 ILE 74 HG12 ILE 74 0.799 8.567 5.133 619 HG13 ILE 74 HG13 ILE 74 0.309 7.812 6.645 620 HG21 ILE 74 HG21 ILE 74 -3.315 8.549 6.222 621 HG22 ILE 74 HG22 ILE 74 -2.151 7.612 7.158 622 HG23 ILE 74 HG23 ILE 74 -2.600 7.090 5.534 623 HD11 ILE 74 HD11 ILE 74 -1.048 6.246 5.020 624 HD12 ILE 74 HD12 ILE 74 0.658 5.968 5.363 625 HD13 ILE 74 HD13 ILE 74 0.179 6.775 3.870 626 H ALA 75 H ALA 75 -2.288 11.648 4.298 627 HA ALA 75 HA ALA 75 -5.077 11.203 4.728 628 HB1 ALA 75 HB1 ALA 75 -4.181 13.921 4.032 629 HB2 ALA 75 HB2 ALA 75 -3.440 13.201 5.461 630 HB3 ALA 75 HB3 ALA 75 -5.193 13.368 5.366 631 H SER 76 H SER 76 -3.068 12.175 2.053 632 HA SER 76 HA SER 76 -5.306 12.762 0.340 633 HB2 SER 76 HB2 SER 76 -3.132 13.901 0.011 634 HB3 SER 76 HB3 SER 76 -2.389 12.348 -0.371 635 HG SER 76 HG SER 76 -4.087 13.937 -1.892 636 H LEU 77 H LEU 77 -3.356 10.024 1.133 637 HA LEU 77 HA LEU 77 -4.051 8.447 -1.105 638 HB2 LEU 77 HB2 LEU 77 -2.457 8.129 1.203 639 HB3 LEU 77 HB3 LEU 77 -3.640 6.842 1.247 640 HG LEU 77 HG LEU 77 -1.341 7.239 -0.559 641 HD11 LEU 77 HD11 LEU 77 -0.877 5.357 0.526 642 HD12 LEU 77 HD12 LEU 77 -2.083 4.583 -0.502 643 HD13 LEU 77 HD13 LEU 77 -2.538 5.183 1.094 644 HD21 LEU 77 HD21 LEU 77 -4.035 6.491 -1.565 645 HD22 LEU 77 HD22 LEU 77 -2.646 5.583 -2.161 646 HD23 LEU 77 HD23 LEU 77 -2.716 7.331 -2.379 647 H ARG 78 H ARG 78 -5.474 9.091 2.006 648 HA ARG 78 HA ARG 78 -7.377 7.119 2.207 649 HB2 ARG 78 HB2 ARG 78 -7.028 8.838 3.927 650 HB3 ARG 78 HB3 ARG 78 -7.724 10.050 2.860 651 HG2 ARG 78 HG2 ARG 78 -9.876 9.047 2.993 652 HG3 ARG 78 HG3 ARG 78 -9.228 7.631 3.823 653 HD2 ARG 78 HD2 ARG 78 -8.638 9.008 5.742 654 HD3 ARG 78 HD3 ARG 78 -9.230 10.445 4.909 655 HE ARG 78 HE ARG 78 -11.326 8.628 4.981 656 HH11 ARG 78 HH11 ARG 78 -9.381 10.420 7.258 657 HH12 ARG 78 HH12 ARG 78 -10.635 10.514 8.448 658 HH21 ARG 78 HH21 ARG 78 -12.978 8.749 6.544 659 HH22 ARG 78 HH22 ARG 78 -12.679 9.565 8.042 660 H LYS 79 H LYS 79 -7.268 9.867 0.083 661 HA LYS 79 HA LYS 79 -9.959 9.352 -0.890 662 HB2 LYS 79 HB2 LYS 79 -8.795 11.684 -0.548 663 HB3 LYS 79 HB3 LYS 79 -8.140 11.359 -2.146 664 HG2 LYS 79 HG2 LYS 79 -10.127 11.660 -3.174 665 HG3 LYS 79 HG3 LYS 79 -11.049 10.989 -1.827 666 HD2 LYS 79 HD2 LYS 79 -11.639 13.125 -1.450 667 HD3 LYS 79 HD3 LYS 79 -10.040 13.260 -0.715 668 HE2 LYS 79 HE2 LYS 79 -9.157 13.944 -2.949 669 HE3 LYS 79 HE3 LYS 79 -10.819 13.976 -3.537 670 HZ1 LYS 79 HZ1 LYS 79 -11.278 15.864 -2.412 671 HZ2 LYS 79 HZ2 LYS 79 -9.610 16.104 -2.555 672 HZ3 LYS 79 HZ3 LYS 79 -10.255 15.495 -1.115 673 H LYS 80 H LYS 80 -6.701 8.693 -1.765 674 HA LYS 80 HA LYS 80 -7.339 8.056 -4.492 675 HB2 LYS 80 HB2 LYS 80 -4.876 8.206 -2.865 676 HB3 LYS 80 HB3 LYS 80 -4.854 7.095 -4.226 677 HG2 LYS 80 HG2 LYS 80 -3.958 9.320 -4.775 678 HG3 LYS 80 HG3 LYS 80 -5.356 8.879 -5.758 679 HD2 LYS 80 HD2 LYS 80 -6.726 10.166 -3.993 680 HD3 LYS 80 HD3 LYS 80 -5.176 10.858 -3.509 681 HE2 LYS 80 HE2 LYS 80 -4.831 11.742 -5.726 682 HE3 LYS 80 HE3 LYS 80 -6.287 10.938 -6.312 683 HZ1 LYS 80 HZ1 LYS 80 -7.196 12.937 -5.894 684 HZ2 LYS 80 HZ2 LYS 80 -6.012 13.383 -4.771 685 HZ3 LYS 80 HZ3 LYS 80 -7.283 12.369 -4.302 686 H LEU 81 H LEU 81 -6.019 6.240 -1.780 687 HA LEU 81 HA LEU 81 -6.737 3.743 -3.041 688 HB2 LEU 81 HB2 LEU 81 -5.150 2.805 -1.764 689 HB3 LEU 81 HB3 LEU 81 -4.585 4.446 -1.639 690 HG LEU 81 HG LEU 81 -6.424 3.324 0.456 691 HD11 LEU 81 HD11 LEU 81 -4.662 2.397 1.666 692 HD12 LEU 81 HD12 LEU 81 -3.439 3.171 0.660 693 HD13 LEU 81 HD13 LEU 81 -4.389 1.832 0.018 694 HD21 LEU 81 HD21 LEU 81 -4.750 5.697 0.055 695 HD22 LEU 81 HD22 LEU 81 -4.615 4.958 1.647 696 HD23 LEU 81 HD23 LEU 81 -6.190 5.478 1.048 697 H GLY 82 H GLY 82 -7.861 5.801 -0.466 698 HA2 GLY 82 HA2 GLY 82 -10.164 5.642 0.215 699 HA3 GLY 82 HA3 GLY 82 -10.077 3.908 -0.043 700 H ALA 83 H ALA 83 -10.905 3.513 2.029 701 HA ALA 83 HA ALA 83 -9.843 4.543 4.412 702 HB1 ALA 83 HB1 ALA 83 -10.855 2.220 5.263 703 HB2 ALA 83 HB2 ALA 83 -11.623 2.304 3.677 704 HB3 ALA 83 HB3 ALA 83 -11.857 3.609 4.840 705 H TYR 84 H TYR 84 -8.589 2.205 2.263 706 HA TYR 84 HA TYR 84 -7.167 0.507 3.933 707 HB2 TYR 84 HB2 TYR 84 -6.522 1.547 1.174 708 HB3 TYR 84 HB3 TYR 84 -5.559 0.313 1.980 709 HD1 TYR 84 HD1 TYR 84 -6.787 -1.827 2.720 710 HD2 TYR 84 HD2 TYR 84 -8.399 0.951 -0.069 711 HE1 TYR 84 HE1 TYR 84 -8.317 -3.562 1.884 712 HE2 TYR 84 HE2 TYR 84 -9.933 -0.776 -0.912 713 HH TYR 84 HH TYR 84 -9.638 -4.094 -0.015 714 H GLY 85 H GLY 85 -6.456 3.778 2.862 715 HA2 GLY 85 HA2 GLY 85 -3.776 3.918 3.722 716 HA3 GLY 85 HA3 GLY 85 -4.865 5.289 3.556 717 H SER 86 H SER 86 -6.830 4.391 5.390 718 HA SER 86 HA SER 86 -5.753 5.389 7.806 719 HB2 SER 86 HB2 SER 86 -8.144 5.601 7.200 720 HB3 SER 86 HB3 SER 86 -8.331 3.856 7.371 721 HG SER 86 HG SER 86 -8.661 5.588 9.242 722 H ARG 87 H ARG 87 -5.633 2.314 6.365 723 HA ARG 87 HA ARG 87 -5.821 0.469 8.365 724 HB2 ARG 87 HB2 ARG 87 -5.268 -0.125 6.066 725 HB3 ARG 87 HB3 ARG 87 -3.687 0.625 6.229 726 HG2 ARG 87 HG2 ARG 87 -3.360 -1.074 8.161 727 HG3 ARG 87 HG3 ARG 87 -4.693 -1.934 7.389 728 HD2 ARG 87 HD2 ARG 87 -2.007 -1.240 6.229 729 HD3 ARG 87 HD3 ARG 87 -2.699 -2.840 6.489 730 HE ARG 87 HE ARG 87 -4.442 -1.715 4.771 731 HH11 ARG 87 HH11 ARG 87 -0.965 -2.023 4.733 732 HH12 ARG 87 HH12 ARG 87 -0.863 -2.068 3.005 733 HH21 ARG 87 HH21 ARG 87 -4.309 -1.776 2.499 734 HH22 ARG 87 HH22 ARG 87 -2.761 -1.928 1.737 735 H ILE 88 H ILE 88 -3.359 2.908 7.962 736 HA ILE 88 HA ILE 88 -1.366 1.905 9.632 737 HB ILE 88 HB ILE 88 -0.898 4.400 10.035 738 HG12 ILE 88 HG12 ILE 88 -2.349 5.184 7.661 739 HG13 ILE 88 HG13 ILE 88 -3.450 4.646 8.925 740 HG21 ILE 88 HG21 ILE 88 -0.912 3.614 7.149 741 HG22 ILE 88 HG22 ILE 88 0.143 2.825 8.322 742 HG23 ILE 88 HG23 ILE 88 0.290 4.559 8.029 743 HD11 ILE 88 HD11 ILE 88 -3.259 6.913 9.312 744 HD12 ILE 88 HD12 ILE 88 -1.536 6.936 8.937 745 HD13 ILE 88 HD13 ILE 88 -2.100 6.225 10.449 746 H VAL 89 H VAL 89 -2.046 1.024 11.555 747 HA VAL 89 HA VAL 89 -3.792 2.572 13.301 748 HB VAL 89 HB VAL 89 -2.571 -0.135 13.838 749 HG11 VAL 89 HG11 VAL 89 -3.480 1.247 15.753 750 HG12 VAL 89 HG12 VAL 89 -4.170 -0.364 15.554 751 HG13 VAL 89 HG13 VAL 89 -5.069 1.054 15.012 752 HG21 VAL 89 HG21 VAL 89 -5.328 -0.339 13.221 753 HG22 VAL 89 HG22 VAL 89 -3.957 -1.024 12.348 754 HG23 VAL 89 HG23 VAL 89 -4.558 0.579 11.927 755 H THR 90 H THR 90 -3.172 3.592 15.124 756 HA THR 90 HA THR 90 -0.295 3.686 15.678 757 HB THR 90 HB THR 90 -2.411 5.530 16.784 758 HG1 THR 90 HG1 THR 90 -1.015 5.650 14.331 759 HG21 THR 90 HG21 THR 90 0.282 5.346 17.349 760 HG22 THR 90 HG22 THR 90 -0.768 6.728 17.660 761 HG23 THR 90 HG23 THR 90 0.179 6.657 16.174 762 H LEU 91 H LEU 91 -0.072 1.801 16.893 763 HA LEU 91 HA LEU 91 -1.736 1.173 19.110 764 HB2 LEU 91 HB2 LEU 91 0.531 0.020 17.756 765 HB3 LEU 91 HB3 LEU 91 0.765 -0.058 19.491 766 HG LEU 91 HG LEU 91 -0.282 -2.094 18.579 767 HD11 LEU 91 HD11 LEU 91 -2.469 -1.782 20.087 768 HD12 LEU 91 HD12 LEU 91 -1.538 -0.388 20.637 769 HD13 LEU 91 HD13 LEU 91 -0.856 -2.010 20.763 770 HD21 LEU 91 HD21 LEU 91 -2.397 -2.114 17.573 771 HD22 LEU 91 HD22 LEU 91 -1.551 -0.775 16.797 772 HD23 LEU 91 HD23 LEU 91 -2.741 -0.453 18.058 773 H ARG 92 H ARG 92 -1.576 1.696 21.218 774 HA ARG 92 HA ARG 92 0.130 3.882 21.951 775 HB2 ARG 92 HB2 ARG 92 -2.200 3.629 22.786 776 HB3 ARG 92 HB3 ARG 92 -1.690 2.216 23.699 777 HG2 ARG 92 HG2 ARG 92 -1.752 4.025 25.215 778 HG3 ARG 92 HG3 ARG 92 -0.049 3.701 24.886 779 HD2 ARG 92 HD2 ARG 92 -1.369 5.671 23.127 780 HD3 ARG 92 HD3 ARG 92 -1.144 6.157 24.807 781 HE ARG 92 HE ARG 92 1.226 5.062 23.626 782 HH11 ARG 92 HH11 ARG 92 -0.685 7.958 23.991 783 HH12 ARG 92 HH12 ARG 92 0.652 9.025 23.724 784 HH21 ARG 92 HH21 ARG 92 2.987 6.462 23.272 785 HH22 ARG 92 HH22 ARG 92 2.738 8.176 23.315 786 H GLY 93 H GLY 93 2.239 3.054 21.771 787 HA2 GLY 93 HA2 GLY 93 3.930 2.505 23.517 788 HA3 GLY 93 HA3 GLY 93 2.953 1.086 23.859 789 H VAL 94 H VAL 94 2.444 0.778 20.902 790 HA VAL 94 HA VAL 94 4.887 -0.725 20.354 791 HB VAL 94 HB VAL 94 2.450 -0.762 18.600 792 HG11 VAL 94 HG11 VAL 94 4.815 -1.927 18.251 793 HG12 VAL 94 HG12 VAL 94 3.306 -2.683 17.740 794 HG13 VAL 94 HG13 VAL 94 4.061 -3.160 19.260 795 HG21 VAL 94 HG21 VAL 94 1.457 -2.499 19.932 796 HG22 VAL 94 HG22 VAL 94 1.718 -1.085 20.953 797 HG23 VAL 94 HG23 VAL 94 2.811 -2.465 21.062 798 H GLY 95 H GLY 95 2.664 1.284 18.411 799 HA2 GLY 95 HA2 GLY 95 4.080 3.288 17.476 800 HA3 GLY 95 HA3 GLY 95 4.898 1.971 16.648 801 H TYR 96 H TYR 96 4.215 1.600 14.655 802 HA TYR 96 HA TYR 96 1.458 2.365 13.962 803 HB2 TYR 96 HB2 TYR 96 3.992 2.909 12.682 804 HB3 TYR 96 HB3 TYR 96 2.918 2.055 11.582 805 HD1 TYR 96 HD1 TYR 96 1.994 4.490 14.233 806 HD2 TYR 96 HD2 TYR 96 2.306 3.729 10.058 807 HE1 TYR 96 HE1 TYR 96 0.808 6.593 13.767 808 HE2 TYR 96 HE2 TYR 96 1.122 5.831 9.581 809 HH TYR 96 HH TYR 96 0.843 8.150 11.001 810 H LEU 97 H LEU 97 0.245 0.578 14.050 811 HA LEU 97 HA LEU 97 1.314 -1.904 12.896 812 HB2 LEU 97 HB2 LEU 97 0.469 -1.873 15.278 813 HB3 LEU 97 HB3 LEU 97 -1.134 -1.592 14.629 814 HG LEU 97 HG LEU 97 -0.505 -3.989 15.275 815 HD11 LEU 97 HD11 LEU 97 -2.403 -3.114 13.740 816 HD12 LEU 97 HD12 LEU 97 -2.017 -4.834 13.756 817 HD13 LEU 97 HD13 LEU 97 -1.432 -3.811 12.444 818 HD21 LEU 97 HD21 LEU 97 0.660 -4.270 12.564 819 HD22 LEU 97 HD22 LEU 97 0.945 -5.215 14.026 820 HD23 LEU 97 HD23 LEU 97 1.704 -3.634 13.837 821 H PHE 98 H PHE 98 0.925 -1.089 10.746 822 HA PHE 98 HA PHE 98 -1.680 -0.408 9.851 823 HB2 PHE 98 HB2 PHE 98 -0.706 -0.690 7.563 824 HB3 PHE 98 HB3 PHE 98 0.208 0.395 8.602 825 HD1 PHE 98 HD1 PHE 98 2.364 -0.342 9.562 826 HD2 PHE 98 HD2 PHE 98 0.245 -2.692 6.715 827 HE1 PHE 98 HE1 PHE 98 4.407 -1.635 9.113 828 HE2 PHE 98 HE2 PHE 98 2.287 -3.988 6.260 829 HZ PHE 98 HZ PHE 98 4.371 -3.460 7.460 830 H SER 99 H SER 99 -2.799 -2.235 10.882 831 HA SER 99 HA SER 99 -2.505 -4.812 9.557 832 HB2 SER 99 HB2 SER 99 -3.670 -3.853 12.072 833 HB3 SER 99 HB3 SER 99 -4.655 -5.068 11.258 834 HG SER 99 HG SER 99 -3.297 -6.463 12.016 835 H ASP 100 H ASP 100 -3.794 -5.542 7.992 836 HA ASP 100 HA ASP 100 -6.235 -4.021 7.379 837 HB2 ASP 100 HB2 ASP 100 -4.125 -4.031 5.764 838 HB3 ASP 100 HB3 ASP 100 -4.849 -5.547 5.235 839 H ASP 101 H ASP 101 -4.735 -7.138 6.709 840 HA ASP 101 HA ASP 101 -6.970 -8.577 7.754 841 HB2 ASP 101 HB2 ASP 101 -7.773 -7.938 5.479 842 HB3 ASP 101 HB3 ASP 101 -6.414 -8.824 4.793 843 H GLY 102 H GLY 102 -4.063 -8.738 5.731 844 HA2 GLY 102 HA2 GLY 102 -2.139 -9.989 6.252 845 HA3 GLY 102 HA3 GLY 102 -3.082 -10.919 7.405 846 H ASP 103 H ASP 103 -3.587 -10.273 3.944 847 HA ASP 103 HA ASP 103 -3.343 -13.138 3.451 848 HB2 ASP 103 HB2 ASP 103 -5.749 -12.360 3.561 849 HB3 ASP 103 HB3 ASP 103 -5.417 -11.397 2.125 850 H LYS 104 H LYS 104 -1.306 -12.929 2.551 851 HA LYS 104 HA LYS 104 -0.524 -10.992 0.701 852 HB2 LYS 104 HB2 LYS 104 1.051 -13.068 -0.007 853 HB3 LYS 104 HB3 LYS 104 1.362 -12.039 1.376 854 HG2 LYS 104 HG2 LYS 104 1.604 -14.448 1.849 855 HG3 LYS 104 HG3 LYS 104 0.395 -13.659 2.862 856 HD2 LYS 104 HD2 LYS 104 -1.192 -14.469 0.870 857 HD3 LYS 104 HD3 LYS 104 0.067 -15.697 0.734 858 HE2 LYS 104 HE2 LYS 104 -0.337 -16.524 2.866 859 HE3 LYS 104 HE3 LYS 104 -1.143 -15.047 3.393 860 HZ1 LYS 104 HZ1 LYS 104 -2.902 -15.655 1.682 861 HZ2 LYS 104 HZ2 LYS 104 -2.848 -16.586 3.093 862 HZ3 LYS 104 HZ3 LYS 104 -2.198 -17.194 1.655 863 H LYS 105 H LYS 105 0.089 -11.445 -1.607 864 HA LYS 105 HA LYS 105 -2.200 -12.052 -3.103 865 HB2 LYS 105 HB2 LYS 105 0.158 -10.814 -3.639 866 HB3 LYS 105 HB3 LYS 105 0.387 -12.332 -4.496 867 HG2 LYS 105 HG2 LYS 105 -2.029 -10.579 -4.858 868 HG3 LYS 105 HG3 LYS 105 -0.576 -10.458 -5.851 869 HD2 LYS 105 HD2 LYS 105 -1.161 -12.231 -7.076 870 HD3 LYS 105 HD3 LYS 105 -1.515 -13.194 -5.640 871 HE2 LYS 105 HE2 LYS 105 -3.637 -13.094 -6.365 872 HE3 LYS 105 HE3 LYS 105 -3.621 -11.478 -5.661 873 HZ1 LYS 105 HZ1 LYS 105 -3.691 -12.280 -8.435 874 HZ2 LYS 105 HZ2 LYS 105 -2.605 -11.027 -8.102 875 HZ3 LYS 105 HZ3 LYS 105 -4.240 -10.856 -7.705 876 H PHE 106 H PHE 106 -3.077 -14.041 -2.942 877 HA PHE 106 HA PHE 106 -1.500 -16.262 -3.946 878 HB2 PHE 106 HB2 PHE 106 -2.119 -15.995 -1.233 879 HB3 PHE 106 HB3 PHE 106 -3.271 -17.176 -1.846 880 HD1 PHE 106 HD1 PHE 106 0.362 -16.386 -1.819 881 HD2 PHE 106 HD2 PHE 106 -2.641 -19.391 -2.074 882 HE1 PHE 106 HE1 PHE 106 2.099 -18.125 -1.711 883 HE2 PHE 106 HE2 PHE 106 -0.909 -21.136 -1.965 884 HZ PHE 106 HZ PHE 106 1.464 -20.503 -1.783 885 H SER 107 H SER 107 -3.003 -18.228 -4.302 886 HA SER 107 HA SER 107 -5.729 -17.519 -4.924 887 HB2 SER 107 HB2 SER 107 -3.945 -17.110 -6.914 888 HB3 SER 107 HB3 SER 107 -4.340 -18.805 -7.198 889 HG SER 107 HG SER 107 -5.728 -17.295 -8.301 890 H GLN 108 H GLN 108 -7.089 -19.221 -4.739 891 HA GLN 108 HA GLN 108 -6.215 -21.594 -3.536 892 HB2 GLN 108 HB2 GLN 108 -8.519 -22.424 -3.982 893 HB3 GLN 108 HB3 GLN 108 -8.479 -20.838 -3.225 894 HG2 GLN 108 HG2 GLN 108 -8.899 -19.786 -5.381 895 HG3 GLN 108 HG3 GLN 108 -8.915 -21.370 -6.155 896 HE21 GLN 108 HE21 GLN 108 -11.053 -20.670 -6.862 897 HE22 GLN 108 HE22 GLN 108 -12.402 -20.917 -5.811 898 H GLN 109 H GLN 109 -7.125 -20.908 -6.894 899 HA GLN 109 HA GLN 109 -6.801 -23.550 -7.835 900 HB2 GLN 109 HB2 GLN 109 -7.833 -21.290 -8.900 901 HB3 GLN 109 HB3 GLN 109 -6.278 -21.331 -9.720 902 HG2 GLN 109 HG2 GLN 109 -7.847 -22.429 -11.112 903 HG3 GLN 109 HG3 GLN 109 -6.798 -23.668 -10.423 904 HE21 GLN 109 HE21 GLN 109 -8.057 -25.409 -10.323 905 HE22 GLN 109 HE22 GLN 109 -9.589 -25.491 -9.528 906 H ASP 110 H ASP 110 -5.126 -24.343 -9.273 907 HA ASP 110 HA ASP 110 -2.481 -23.393 -8.439 908 HB2 ASP 110 HB2 ASP 110 -3.325 -25.866 -8.247 909 HB3 ASP 110 HB3 ASP 110 -2.926 -25.938 -9.961 910 H THR 111 H THR 111 -4.066 -22.034 -10.474 911 HA THR 111 HA THR 111 -2.036 -21.824 -12.475 912 HB THR 111 HB THR 111 -3.730 -22.176 -14.363 913 HG1 THR 111 HG1 THR 111 -5.656 -22.480 -13.546 914 HG21 THR 111 HG21 THR 111 -3.191 -24.730 -12.907 915 HG22 THR 111 HG22 THR 111 -1.889 -23.809 -13.661 916 HG23 THR 111 HG23 THR 111 -3.221 -24.421 -14.642 917 H LYS 112 H LYS 112 -1.980 -19.812 -13.328 918 HA LYS 112 HA LYS 112 -4.296 -18.139 -13.459 919 HB2 LYS 112 HB2 LYS 112 -3.208 -16.341 -12.013 920 HB3 LYS 112 HB3 LYS 112 -3.930 -17.706 -11.173 921 HG2 LYS 112 HG2 LYS 112 -1.246 -18.394 -11.680 922 HG3 LYS 112 HG3 LYS 112 -1.248 -16.738 -11.071 923 HD2 LYS 112 HD2 LYS 112 -2.548 -17.434 -9.134 924 HD3 LYS 112 HD3 LYS 112 -2.614 -19.085 -9.753 925 HE2 LYS 112 HE2 LYS 112 -0.213 -19.295 -9.550 926 HE3 LYS 112 HE3 LYS 112 -0.079 -17.609 -9.051 927 HZ1 LYS 112 HZ1 LYS 112 -0.767 -18.077 -6.974 928 HZ2 LYS 112 HZ2 LYS 112 -0.207 -19.630 -7.340 929 HZ3 LYS 112 HZ3 LYS 112 -1.856 -19.275 -7.466 930 H LEU 113 H LEU 113 -3.444 -18.399 -15.670 931 HA LEU 113 HA LEU 113 -0.954 -17.345 -16.457 932 HB2 LEU 113 HB2 LEU 113 -3.437 -17.483 -18.159 933 HB3 LEU 113 HB3 LEU 113 -1.770 -17.488 -18.704 934 HG LEU 113 HG LEU 113 -2.541 -19.700 -16.897 935 HD11 LEU 113 HD11 LEU 113 -4.445 -20.074 -18.056 936 HD12 LEU 113 HD12 LEU 113 -3.324 -20.816 -19.197 937 HD13 LEU 113 HD13 LEU 113 -3.897 -19.170 -19.467 938 HD21 LEU 113 HD21 LEU 113 -0.829 -19.307 -19.325 939 HD22 LEU 113 HD22 LEU 113 -1.249 -20.921 -18.753 940 HD23 LEU 113 HD23 LEU 113 -0.360 -19.818 -17.704 941 H SER 114 H SER 114 -0.890 -15.352 -15.239 942 HA SER 114 HA SER 114 -2.686 -13.229 -15.573 943 HB2 SER 114 HB2 SER 114 -0.619 -13.610 -13.936 944 HB3 SER 114 HB3 SER 114 0.204 -12.626 -15.146 945 HG SER 114 HG SER 114 -2.116 -11.945 -13.662 946 H LEU 115 H LEU 115 -2.514 -11.295 -16.805 947 HA LEU 115 HA LEU 115 -1.927 -11.670 -19.513 948 HB2 LEU 115 HB2 LEU 115 -2.710 -9.417 -17.772 949 HB3 LEU 115 HB3 LEU 115 -1.932 -8.975 -19.276 950 HG LEU 115 HG LEU 115 -3.679 -9.762 -20.577 951 HD11 LEU 115 HD11 LEU 115 -4.406 -11.519 -18.245 952 HD12 LEU 115 HD12 LEU 115 -3.864 -12.006 -19.852 953 HD13 LEU 115 HD13 LEU 115 -5.460 -11.287 -19.640 954 HD21 LEU 115 HD21 LEU 115 -4.509 -7.861 -19.451 955 HD22 LEU 115 HD22 LEU 115 -4.818 -8.779 -17.976 956 HD23 LEU 115 HD23 LEU 115 -5.807 -9.056 -19.410 957 H GLU 116 H GLU 116 -0.335 -10.637 -20.845 958 HA GLU 116 HA GLU 116 1.793 -10.100 -21.440 959 HB2 GLU 116 HB2 GLU 116 1.377 -8.648 -18.895 960 HB3 GLU 116 HB3 GLU 116 3.049 -8.846 -19.400 961 HG2 GLU 116 HG2 GLU 116 1.910 -8.018 -21.712 962 HG3 GLU 116 HG3 GLU 116 0.921 -7.172 -20.522 Start of MODEL 15 1 H1 HIS 1 H1 HIS 1 7.178 -15.371 -4.217 2 H2 HIS 1 H2 HIS 1 6.319 -13.890 -4.102 3 H3 HIS 1 H3 HIS 1 5.538 -15.370 -3.720 4 HA HIS 1 HA HIS 1 6.015 -14.397 -1.707 5 HB2 HIS 1 HB2 HIS 1 7.788 -16.612 -2.623 6 HB3 HIS 1 HB3 HIS 1 8.107 -15.917 -1.037 7 HD1 HIS 1 HD1 HIS 1 4.561 -16.024 -2.063 8 HD2 HIS 1 HD2 HIS 1 7.224 -18.403 0.061 9 HE1 HIS 1 HE1 HIS 1 3.138 -17.699 -0.841 10 HE2 HIS 1 HE2 HIS 1 4.777 -19.185 0.365 11 H SER 2 H SER 2 7.815 -13.723 -0.163 12 HA SER 2 HA SER 2 9.406 -12.209 0.426 13 HB2 SER 2 HB2 SER 2 10.512 -13.486 -2.015 14 HB3 SER 2 HB3 SER 2 11.268 -11.977 -1.502 15 HG SER 2 HG SER 2 10.818 -14.154 0.252 16 H VAL 3 H VAL 3 8.120 -10.383 0.428 17 HA VAL 3 HA VAL 3 7.480 -8.277 -0.152 18 HB VAL 3 HB VAL 3 9.588 -8.435 -2.307 19 HG11 VAL 3 HG11 VAL 3 9.637 -6.032 -2.159 20 HG12 VAL 3 HG12 VAL 3 8.474 -6.052 -0.833 21 HG13 VAL 3 HG13 VAL 3 7.979 -6.556 -2.449 22 HG21 VAL 3 HG21 VAL 3 11.215 -7.750 -0.774 23 HG22 VAL 3 HG22 VAL 3 10.325 -9.010 0.082 24 HG23 VAL 3 HG23 VAL 3 10.016 -7.311 0.442 25 HA PRO 4 HA PRO 4 4.658 -9.785 -3.421 26 HB2 PRO 4 HB2 PRO 4 2.915 -7.721 -2.238 27 HB3 PRO 4 HB3 PRO 4 2.606 -9.440 -2.492 28 HG2 PRO 4 HG2 PRO 4 3.019 -8.440 -0.039 29 HG3 PRO 4 HG3 PRO 4 3.599 -10.051 -0.498 30 HD2 PRO 4 HD2 PRO 4 5.118 -7.482 -0.277 31 HD3 PRO 4 HD3 PRO 4 5.597 -9.119 0.218 32 H GLU 5 H GLU 5 3.094 -8.331 -4.841 33 HA GLU 5 HA GLU 5 4.401 -5.808 -5.522 34 HB2 GLU 5 HB2 GLU 5 4.655 -8.204 -7.033 35 HB3 GLU 5 HB3 GLU 5 3.663 -7.086 -7.958 36 HG2 GLU 5 HG2 GLU 5 5.529 -5.373 -7.396 37 HG3 GLU 5 HG3 GLU 5 6.497 -6.809 -7.068 38 H SER 6 H SER 6 1.976 -7.755 -7.151 39 HA SER 6 HA SER 6 0.220 -5.545 -7.514 40 HB2 SER 6 HB2 SER 6 -1.334 -7.179 -8.465 41 HB3 SER 6 HB3 SER 6 0.296 -7.461 -9.078 42 HG SER 6 HG SER 6 -1.173 -9.261 -8.079 43 H ILE 7 H ILE 7 -1.970 -5.361 -6.677 44 HA ILE 7 HA ILE 7 -2.377 -6.709 -4.101 45 HB ILE 7 HB ILE 7 -3.121 -3.824 -4.365 46 HG12 ILE 7 HG12 ILE 7 -0.870 -3.477 -3.056 47 HG13 ILE 7 HG13 ILE 7 -0.385 -4.952 -3.887 48 HG21 ILE 7 HG21 ILE 7 -2.970 -3.858 -1.958 49 HG22 ILE 7 HG22 ILE 7 -2.317 -5.496 -1.991 50 HG23 ILE 7 HG23 ILE 7 -3.978 -5.199 -2.504 51 HD11 ILE 7 HD11 ILE 7 -1.578 -3.080 -5.720 52 HD12 ILE 7 HD12 ILE 7 0.011 -3.842 -5.760 53 HD13 ILE 7 HD13 ILE 7 -0.230 -2.353 -4.846 54 H ARG 8 H ARG 8 -3.851 -7.999 -5.411 55 HA ARG 8 HA ARG 8 -6.222 -6.674 -6.434 56 HB2 ARG 8 HB2 ARG 8 -5.033 -9.372 -6.622 57 HB3 ARG 8 HB3 ARG 8 -6.790 -9.319 -6.634 58 HG2 ARG 8 HG2 ARG 8 -6.827 -8.637 -8.742 59 HG3 ARG 8 HG3 ARG 8 -5.701 -7.323 -8.400 60 HD2 ARG 8 HD2 ARG 8 -4.649 -8.674 -10.025 61 HD3 ARG 8 HD3 ARG 8 -3.858 -9.052 -8.495 62 HE ARG 8 HE ARG 8 -5.980 -10.851 -8.925 63 HH11 ARG 8 HH11 ARG 8 -2.799 -10.095 -10.144 64 HH12 ARG 8 HH12 ARG 8 -2.473 -11.717 -10.655 65 HH21 ARG 8 HH21 ARG 8 -5.552 -12.986 -9.595 66 HH22 ARG 8 HH22 ARG 8 -4.035 -13.358 -10.344 67 H PHE 9 H PHE 9 -7.109 -5.822 -4.521 68 HA PHE 9 HA PHE 9 -7.982 -7.745 -2.494 69 HB2 PHE 9 HB2 PHE 9 -8.839 -5.408 -1.485 70 HB3 PHE 9 HB3 PHE 9 -7.206 -6.011 -1.241 71 HD1 PHE 9 HD1 PHE 9 -9.027 -4.115 -3.902 72 HD2 PHE 9 HD2 PHE 9 -5.576 -4.428 -1.431 73 HE1 PHE 9 HE1 PHE 9 -8.124 -2.061 -4.909 74 HE2 PHE 9 HE2 PHE 9 -4.667 -2.374 -2.434 75 HZ PHE 9 HZ PHE 9 -5.942 -1.188 -4.175 76 H GLY 10 H GLY 10 -9.517 -8.674 -4.044 77 HA2 GLY 10 HA2 GLY 10 -11.807 -9.028 -4.339 78 HA3 GLY 10 HA3 GLY 10 -12.112 -7.409 -3.727 79 HA PRO 11 HA PRO 11 -12.978 -7.097 -8.208 80 HB2 PRO 11 HB2 PRO 11 -14.738 -5.044 -7.979 81 HB3 PRO 11 HB3 PRO 11 -15.195 -6.733 -7.732 82 HG2 PRO 11 HG2 PRO 11 -14.550 -4.629 -5.703 83 HG3 PRO 11 HG3 PRO 11 -15.854 -5.831 -5.692 84 HD2 PRO 11 HD2 PRO 11 -13.571 -6.141 -4.267 85 HD3 PRO 11 HD3 PRO 11 -14.466 -7.515 -4.950 86 H ASN 12 H ASN 12 -11.552 -5.017 -5.923 87 HA ASN 12 HA ASN 12 -10.967 -2.959 -7.921 88 HB2 ASN 12 HB2 ASN 12 -10.782 -3.064 -4.927 89 HB3 ASN 12 HB3 ASN 12 -9.866 -1.862 -5.830 90 HD21 ASN 12 HD21 ASN 12 -13.148 -3.219 -5.847 91 HD22 ASN 12 HD22 ASN 12 -13.957 -1.697 -5.958 92 H VAL 13 H VAL 13 -9.255 -3.384 -9.148 93 HA VAL 13 HA VAL 13 -7.014 -4.911 -8.079 94 HB VAL 13 HB VAL 13 -7.326 -3.809 -10.873 95 HG11 VAL 13 HG11 VAL 13 -5.082 -4.710 -9.810 96 HG12 VAL 13 HG12 VAL 13 -5.526 -5.078 -11.477 97 HG13 VAL 13 HG13 VAL 13 -5.799 -6.271 -10.207 98 HG21 VAL 13 HG21 VAL 13 -9.198 -5.350 -10.074 99 HG22 VAL 13 HG22 VAL 13 -7.977 -6.622 -10.044 100 HG23 VAL 13 HG23 VAL 13 -8.359 -5.802 -11.558 101 H PHE 14 H PHE 14 -4.964 -4.111 -7.773 102 HA PHE 14 HA PHE 14 -4.556 -1.246 -8.309 103 HB2 PHE 14 HB2 PHE 14 -5.100 -1.801 -5.876 104 HB3 PHE 14 HB3 PHE 14 -3.538 -2.609 -5.821 105 HD1 PHE 14 HD1 PHE 14 -1.538 -1.114 -6.754 106 HD2 PHE 14 HD2 PHE 14 -5.196 0.372 -5.166 107 HE1 PHE 14 HE1 PHE 14 -0.444 1.032 -6.253 108 HE2 PHE 14 HE2 PHE 14 -4.110 2.519 -4.662 109 HZ PHE 14 HZ PHE 14 -1.730 2.852 -5.204 110 H TYR 15 H TYR 15 -2.566 -0.659 -9.030 111 HA TYR 15 HA TYR 15 -0.600 -2.827 -9.378 112 HB2 TYR 15 HB2 TYR 15 -1.341 -0.534 -11.187 113 HB3 TYR 15 HB3 TYR 15 0.177 -1.407 -11.366 114 HD1 TYR 15 HD1 TYR 15 -0.036 -4.008 -11.575 115 HD2 TYR 15 HD2 TYR 15 -3.218 -1.284 -12.323 116 HE1 TYR 15 HE1 TYR 15 -1.173 -5.717 -12.927 117 HE2 TYR 15 HE2 TYR 15 -4.364 -2.987 -13.677 118 HH TYR 15 HH TYR 15 -4.233 -5.750 -13.658 119 H VAL 16 H VAL 16 1.148 -2.573 -8.180 120 HA VAL 16 HA VAL 16 1.752 -0.231 -6.740 121 HB VAL 16 HB VAL 16 4.087 -1.404 -6.524 122 HG11 VAL 16 HG11 VAL 16 2.156 -1.233 -4.866 123 HG12 VAL 16 HG12 VAL 16 3.302 -2.555 -4.643 124 HG13 VAL 16 HG13 VAL 16 1.731 -2.864 -5.379 125 HG21 VAL 16 HG21 VAL 16 4.163 -3.713 -7.004 126 HG22 VAL 16 HG22 VAL 16 3.547 -2.944 -8.467 127 HG23 VAL 16 HG23 VAL 16 2.439 -3.773 -7.373 128 H LEU 17 H LEU 17 2.398 -1.058 -9.987 129 HA LEU 17 HA LEU 17 4.541 0.948 -10.150 130 HB2 LEU 17 HB2 LEU 17 3.737 -1.164 -12.151 131 HB3 LEU 17 HB3 LEU 17 5.065 -0.035 -12.338 132 HG LEU 17 HG LEU 17 5.096 -1.768 -9.927 133 HD11 LEU 17 HD11 LEU 17 5.199 -2.767 -12.712 134 HD12 LEU 17 HD12 LEU 17 4.681 -3.575 -11.232 135 HD13 LEU 17 HD13 LEU 17 6.400 -3.394 -11.582 136 HD21 LEU 17 HD21 LEU 17 7.367 -1.251 -11.793 137 HD22 LEU 17 HD22 LEU 17 7.376 -1.478 -10.044 138 HD23 LEU 17 HD23 LEU 17 6.800 0.039 -10.733 139 H LYS 18 H LYS 18 1.302 0.211 -11.157 140 HA LYS 18 HA LYS 18 1.276 2.428 -13.058 141 HB2 LYS 18 HB2 LYS 18 0.095 -0.009 -13.175 142 HB3 LYS 18 HB3 LYS 18 -1.223 0.951 -12.518 143 HG2 LYS 18 HG2 LYS 18 -1.500 2.137 -14.427 144 HG3 LYS 18 HG3 LYS 18 0.211 2.061 -14.854 145 HD2 LYS 18 HD2 LYS 18 -0.067 -0.307 -15.463 146 HD3 LYS 18 HD3 LYS 18 -1.785 -0.191 -15.077 147 HE2 LYS 18 HE2 LYS 18 -1.534 0.026 -17.448 148 HE3 LYS 18 HE3 LYS 18 -1.981 1.601 -16.794 149 HZ1 LYS 18 HZ1 LYS 18 0.868 1.070 -17.026 150 HZ2 LYS 18 HZ2 LYS 18 0.001 2.489 -17.338 151 HZ3 LYS 18 HZ3 LYS 18 0.028 1.245 -18.485 152 H LEU 19 H LEU 19 -0.243 1.411 -10.031 153 HA LEU 19 HA LEU 19 -1.231 2.604 -8.364 154 HB2 LEU 19 HB2 LEU 19 -0.539 5.149 -9.804 155 HB3 LEU 19 HB3 LEU 19 -0.752 4.894 -8.082 156 HG LEU 19 HG LEU 19 1.477 3.477 -9.472 157 HD11 LEU 19 HD11 LEU 19 1.874 5.632 -10.316 158 HD12 LEU 19 HD12 LEU 19 2.901 5.498 -8.889 159 HD13 LEU 19 HD13 LEU 19 1.389 6.403 -8.806 160 HD21 LEU 19 HD21 LEU 19 0.639 3.410 -6.940 161 HD22 LEU 19 HD22 LEU 19 1.723 4.798 -6.835 162 HD23 LEU 19 HD23 LEU 19 2.336 3.239 -7.387 163 H THR 20 H THR 20 -2.973 1.565 -9.968 164 HA THR 20 HA THR 20 -5.000 3.655 -10.306 165 HB THR 20 HB THR 20 -4.546 1.474 -12.347 166 HG1 THR 20 HG1 THR 20 -3.766 4.196 -12.368 167 HG21 THR 20 HG21 THR 20 -5.998 2.813 -13.773 168 HG22 THR 20 HG22 THR 20 -6.258 3.945 -12.446 169 HG23 THR 20 HG23 THR 20 -6.831 2.282 -12.312 170 H VAL 21 H VAL 21 -6.801 3.135 -9.263 171 HA VAL 21 HA VAL 21 -7.210 0.346 -8.456 172 HB VAL 21 HB VAL 21 -8.788 2.709 -7.458 173 HG11 VAL 21 HG11 VAL 21 -8.500 -0.141 -6.747 174 HG12 VAL 21 HG12 VAL 21 -9.895 0.930 -6.612 175 HG13 VAL 21 HG13 VAL 21 -8.613 0.993 -5.402 176 HG21 VAL 21 HG21 VAL 21 -6.429 3.213 -7.098 177 HG22 VAL 21 HG22 VAL 21 -6.200 1.642 -6.330 178 HG23 VAL 21 HG23 VAL 21 -7.234 2.853 -5.570 179 H GLU 22 H GLU 22 -8.191 -0.624 -10.183 180 HA GLU 22 HA GLU 22 -10.318 0.615 -11.646 181 HB2 GLU 22 HB2 GLU 22 -8.639 -1.203 -12.432 182 HB3 GLU 22 HB3 GLU 22 -9.751 -2.334 -11.672 183 HG2 GLU 22 HG2 GLU 22 -11.547 -1.578 -13.111 184 HG3 GLU 22 HG3 GLU 22 -10.482 -0.376 -13.838 185 H THR 23 H THR 23 -12.152 1.023 -10.564 186 HA THR 23 HA THR 23 -13.211 -0.909 -8.670 187 HB THR 23 HB THR 23 -15.082 1.130 -8.927 188 HG1 THR 23 HG1 THR 23 -13.958 2.579 -10.002 189 HG21 THR 23 HG21 THR 23 -14.462 1.809 -6.798 190 HG22 THR 23 HG22 THR 23 -12.773 1.364 -7.043 191 HG23 THR 23 HG23 THR 23 -13.997 0.109 -6.848 192 HA PRO 24 HA PRO 24 -16.317 -2.587 -11.306 193 HB2 PRO 24 HB2 PRO 24 -18.501 -2.765 -9.746 194 HB3 PRO 24 HB3 PRO 24 -17.051 -3.726 -9.442 195 HG2 PRO 24 HG2 PRO 24 -17.992 -1.236 -8.094 196 HG3 PRO 24 HG3 PRO 24 -17.255 -2.685 -7.387 197 HD2 PRO 24 HD2 PRO 24 -15.900 -0.364 -7.915 198 HD3 PRO 24 HD3 PRO 24 -15.131 -1.955 -7.819 199 H GLU 25 H GLU 25 -17.048 0.490 -9.844 200 HA GLU 25 HA GLU 25 -19.276 0.960 -11.670 201 HB2 GLU 25 HB2 GLU 25 -18.363 2.097 -9.125 202 HB3 GLU 25 HB3 GLU 25 -18.909 3.304 -10.281 203 HG2 GLU 25 HG2 GLU 25 -21.034 2.088 -10.511 204 HG3 GLU 25 HG3 GLU 25 -20.484 0.937 -9.294 205 H GLY 26 H GLY 26 -15.951 1.887 -11.140 206 HA2 GLY 26 HA2 GLY 26 -15.694 2.881 -13.796 207 HA3 GLY 26 HA3 GLY 26 -15.747 4.201 -12.638 208 H SER 27 H SER 27 -13.901 4.798 -11.694 209 HA SER 27 HA SER 27 -11.776 2.946 -11.160 210 HB2 SER 27 HB2 SER 27 -11.731 3.869 -13.708 211 HB3 SER 27 HB3 SER 27 -10.802 5.132 -12.902 212 HG SER 27 HG SER 27 -10.277 2.347 -12.936 213 H VAL 28 H VAL 28 -9.831 4.120 -10.247 214 HA VAL 28 HA VAL 28 -10.412 6.765 -9.177 215 HB VAL 28 HB VAL 28 -9.743 4.491 -7.309 216 HG11 VAL 28 HG11 VAL 28 -8.939 6.661 -6.570 217 HG12 VAL 28 HG12 VAL 28 -10.284 6.128 -5.561 218 HG13 VAL 28 HG13 VAL 28 -10.544 7.354 -6.802 219 HG21 VAL 28 HG21 VAL 28 -12.380 5.731 -8.029 220 HG22 VAL 28 HG22 VAL 28 -12.118 4.959 -6.466 221 HG23 VAL 28 HG23 VAL 28 -11.944 4.024 -7.951 222 H HIS 29 H HIS 29 -8.620 7.973 -8.948 223 HA HIS 29 HA HIS 29 -6.033 6.635 -9.355 224 HB2 HIS 29 HB2 HIS 29 -7.151 8.711 -10.769 225 HB3 HIS 29 HB3 HIS 29 -6.093 9.556 -9.644 226 HD1 HIS 29 HD1 HIS 29 -5.689 6.449 -11.824 227 HD2 HIS 29 HD2 HIS 29 -3.703 9.957 -10.816 228 HE1 HIS 29 HE1 HIS 29 -3.535 6.398 -13.120 229 HE2 HIS 29 HE2 HIS 29 -2.396 8.577 -12.570 230 H LEU 30 H LEU 30 -4.149 7.897 -8.356 231 HA LEU 30 HA LEU 30 -4.677 9.388 -5.968 232 HB2 LEU 30 HB2 LEU 30 -3.438 7.646 -4.531 233 HB3 LEU 30 HB3 LEU 30 -5.139 7.396 -4.872 234 HG LEU 30 HG LEU 30 -4.594 5.752 -6.580 235 HD11 LEU 30 HD11 LEU 30 -2.077 5.014 -6.520 236 HD12 LEU 30 HD12 LEU 30 -1.820 6.696 -6.056 237 HD13 LEU 30 HD13 LEU 30 -2.614 6.315 -7.584 238 HD21 LEU 30 HD21 LEU 30 -3.143 4.225 -4.938 239 HD22 LEU 30 HD22 LEU 30 -4.854 4.560 -4.673 240 HD23 LEU 30 HD23 LEU 30 -3.629 5.480 -3.799 241 H THR 31 H THR 31 -2.751 10.184 -4.963 242 HA THR 31 HA THR 31 -0.639 10.658 -6.811 243 HB THR 31 HB THR 31 -0.381 11.191 -3.870 244 HG1 THR 31 HG1 THR 31 -2.120 12.478 -5.684 245 HG21 THR 31 HG21 THR 31 0.566 13.322 -4.658 246 HG22 THR 31 HG22 THR 31 0.381 12.759 -6.319 247 HG23 THR 31 HG23 THR 31 1.468 11.913 -5.217 248 HA PRO 32 HA PRO 32 1.791 7.066 -5.915 249 HB2 PRO 32 HB2 PRO 32 4.194 7.922 -6.870 250 HB3 PRO 32 HB3 PRO 32 2.867 7.402 -7.914 251 HG2 PRO 32 HG2 PRO 32 3.701 10.174 -7.151 252 HG3 PRO 32 HG3 PRO 32 3.210 9.549 -8.737 253 HD2 PRO 32 HD2 PRO 32 1.530 10.956 -7.156 254 HD3 PRO 32 HD3 PRO 32 0.961 9.656 -8.223 255 H SER 33 H SER 33 2.381 10.153 -4.549 256 HA SER 33 HA SER 33 4.554 9.229 -2.879 257 HB2 SER 33 HB2 SER 33 3.265 11.833 -3.434 258 HB3 SER 33 HB3 SER 33 3.881 11.623 -1.795 259 HG SER 33 HG SER 33 5.887 11.524 -2.538 260 H GLU 34 H GLU 34 1.144 9.876 -2.639 261 HA GLU 34 HA GLU 34 1.140 9.208 0.191 262 HB2 GLU 34 HB2 GLU 34 -1.205 9.803 0.185 263 HB3 GLU 34 HB3 GLU 34 -0.302 11.063 -0.643 264 HG2 GLU 34 HG2 GLU 34 -0.931 9.629 -2.765 265 HG3 GLU 34 HG3 GLU 34 -2.246 9.098 -1.718 266 H SER 35 H SER 35 0.325 7.888 -2.901 267 HA SER 35 HA SER 35 -0.890 5.529 -1.743 268 HB2 SER 35 HB2 SER 35 -1.553 4.977 -3.869 269 HB3 SER 35 HB3 SER 35 -1.307 6.702 -4.125 270 HG SER 35 HG SER 35 0.061 6.099 -5.595 271 H GLY 36 H GLY 36 2.198 6.745 -2.353 272 HA2 GLY 36 HA2 GLY 36 3.553 4.308 -2.936 273 HA3 GLY 36 HA3 GLY 36 4.294 5.806 -2.404 274 H ILE 37 H ILE 37 2.597 5.980 -0.023 275 HA ILE 37 HA ILE 37 4.267 4.596 1.780 276 HB ILE 37 HB ILE 37 1.533 5.783 2.259 277 HG12 ILE 37 HG12 ILE 37 3.424 7.342 3.533 278 HG13 ILE 37 HG13 ILE 37 4.235 6.882 2.039 279 HG21 ILE 37 HG21 ILE 37 3.404 4.356 4.036 280 HG22 ILE 37 HG22 ILE 37 1.655 4.549 4.147 281 HG23 ILE 37 HG23 ILE 37 2.721 5.852 4.673 282 HD11 ILE 37 HD11 ILE 37 1.688 8.406 2.388 283 HD12 ILE 37 HD12 ILE 37 2.123 7.646 0.857 284 HD13 ILE 37 HD13 ILE 37 3.164 8.887 1.553 285 H LEU 38 H LEU 38 1.201 3.817 0.331 286 HA LEU 38 HA LEU 38 0.590 1.567 1.940 287 HB2 LEU 38 HB2 LEU 38 -1.201 2.507 0.731 288 HB3 LEU 38 HB3 LEU 38 -0.307 2.485 -0.775 289 HG LEU 38 HG LEU 38 -0.638 -0.201 0.243 290 HD11 LEU 38 HD11 LEU 38 -2.722 1.208 1.097 291 HD12 LEU 38 HD12 LEU 38 -2.877 -0.443 0.498 292 HD13 LEU 38 HD13 LEU 38 -3.259 0.916 -0.558 293 HD21 LEU 38 HD21 LEU 38 -1.931 0.869 -2.224 294 HD22 LEU 38 HD22 LEU 38 -1.133 -0.680 -1.953 295 HD23 LEU 38 HD23 LEU 38 -0.172 0.789 -2.128 296 H LYS 39 H LYS 39 2.724 2.096 -0.703 297 HA LYS 39 HA LYS 39 2.970 -0.614 -1.537 298 HB2 LYS 39 HB2 LYS 39 3.906 1.898 -2.417 299 HB3 LYS 39 HB3 LYS 39 5.333 0.920 -2.107 300 HG2 LYS 39 HG2 LYS 39 4.329 -0.861 -3.539 301 HG3 LYS 39 HG3 LYS 39 3.048 0.280 -3.954 302 HD2 LYS 39 HD2 LYS 39 5.979 0.845 -4.364 303 HD3 LYS 39 HD3 LYS 39 4.939 0.145 -5.606 304 HE2 LYS 39 HE2 LYS 39 3.739 2.086 -5.889 305 HE3 LYS 39 HE3 LYS 39 4.083 2.661 -4.258 306 HZ1 LYS 39 HZ1 LYS 39 6.169 2.464 -6.352 307 HZ2 LYS 39 HZ2 LYS 39 6.246 3.296 -4.882 308 HZ3 LYS 39 HZ3 LYS 39 5.240 3.859 -6.120 309 H ARG 40 H ARG 40 4.434 1.339 0.922 310 HA ARG 40 HA ARG 40 6.601 -0.506 1.399 311 HB2 ARG 40 HB2 ARG 40 5.744 1.625 3.334 312 HB3 ARG 40 HB3 ARG 40 7.355 0.986 3.045 313 HG2 ARG 40 HG2 ARG 40 5.785 2.781 1.208 314 HG3 ARG 40 HG3 ARG 40 7.184 3.231 2.184 315 HD2 ARG 40 HD2 ARG 40 8.657 2.026 0.855 316 HD3 ARG 40 HD3 ARG 40 7.380 1.007 0.194 317 HE ARG 40 HE ARG 40 7.128 3.779 -0.516 318 HH11 ARG 40 HH11 ARG 40 8.602 0.733 -1.368 319 HH12 ARG 40 HH12 ARG 40 8.804 1.154 -3.035 320 HH21 ARG 40 HH21 ARG 40 7.393 4.335 -2.709 321 HH22 ARG 40 HH22 ARG 40 8.118 3.199 -3.797 322 H LEU 41 H LEU 41 3.355 -0.147 2.451 323 HA LEU 41 HA LEU 41 3.751 -1.793 4.811 324 HB2 LEU 41 HB2 LEU 41 1.106 -0.937 3.659 325 HB3 LEU 41 HB3 LEU 41 1.460 -1.417 5.307 326 HG LEU 41 HG LEU 41 2.054 1.185 3.941 327 HD11 LEU 41 HD11 LEU 41 -0.010 0.471 5.466 328 HD12 LEU 41 HD12 LEU 41 0.666 2.100 5.476 329 HD13 LEU 41 HD13 LEU 41 1.117 0.951 6.736 330 HD21 LEU 41 HD21 LEU 41 3.689 -0.163 5.969 331 HD22 LEU 41 HD22 LEU 41 3.205 1.481 6.389 332 HD23 LEU 41 HD23 LEU 41 4.087 1.176 4.893 333 H LEU 42 H LEU 42 3.005 -2.161 1.498 334 HA LEU 42 HA LEU 42 1.668 -4.695 1.782 335 HB2 LEU 42 HB2 LEU 42 2.174 -2.802 -0.336 336 HB3 LEU 42 HB3 LEU 42 2.592 -4.423 -0.858 337 HG LEU 42 HG LEU 42 0.266 -3.760 -1.420 338 HD11 LEU 42 HD11 LEU 42 -0.796 -5.828 -0.521 339 HD12 LEU 42 HD12 LEU 42 0.645 -6.078 0.465 340 HD13 LEU 42 HD13 LEU 42 0.767 -6.092 -1.295 341 HD21 LEU 42 HD21 LEU 42 -0.156 -2.396 0.585 342 HD22 LEU 42 HD22 LEU 42 -0.167 -3.863 1.563 343 HD23 LEU 42 HD23 LEU 42 -1.403 -3.617 0.329 344 H ILE 43 H ILE 43 4.908 -3.538 1.459 345 HA ILE 43 HA ILE 43 6.040 -5.995 0.523 346 HB ILE 43 HB ILE 43 8.209 -5.025 1.121 347 HG12 ILE 43 HG12 ILE 43 7.285 -2.372 1.823 348 HG13 ILE 43 HG13 ILE 43 6.713 -3.561 2.989 349 HG21 ILE 43 HG21 ILE 43 6.882 -2.711 -0.121 350 HG22 ILE 43 HG22 ILE 43 6.580 -4.273 -0.883 351 HG23 ILE 43 HG23 ILE 43 8.234 -3.690 -0.692 352 HD11 ILE 43 HD11 ILE 43 9.529 -2.860 2.260 353 HD12 ILE 43 HD12 ILE 43 9.128 -4.367 3.084 354 HD13 ILE 43 HD13 ILE 43 8.748 -2.820 3.841 355 H ASN 44 H ASN 44 5.203 -4.668 3.626 356 HA ASN 44 HA ASN 44 6.556 -6.880 4.991 357 HB2 ASN 44 HB2 ASN 44 6.871 -4.466 5.746 358 HB3 ASN 44 HB3 ASN 44 5.199 -4.525 6.293 359 HD21 ASN 44 HD21 ASN 44 7.409 -4.050 7.954 360 HD22 ASN 44 HD22 ASN 44 7.534 -5.359 9.075 361 H LYS 45 H LYS 45 3.454 -5.399 4.448 362 HA LYS 45 HA LYS 45 1.312 -6.043 4.862 363 HB2 LYS 45 HB2 LYS 45 2.058 -7.738 3.209 364 HB3 LYS 45 HB3 LYS 45 2.486 -8.805 4.537 365 HG2 LYS 45 HG2 LYS 45 0.396 -9.515 4.749 366 HG3 LYS 45 HG3 LYS 45 -0.230 -7.866 4.793 367 HD2 LYS 45 HD2 LYS 45 -1.235 -8.786 2.901 368 HD3 LYS 45 HD3 LYS 45 0.131 -7.882 2.246 369 HE2 LYS 45 HE2 LYS 45 0.088 -9.994 1.150 370 HE3 LYS 45 HE3 LYS 45 1.442 -10.015 2.279 371 HZ1 LYS 45 HZ1 LYS 45 0.453 -11.559 3.581 372 HZ2 LYS 45 HZ2 LYS 45 -0.300 -11.979 2.126 373 HZ3 LYS 45 HZ3 LYS 45 -1.117 -11.020 3.254 374 H GLY 46 H GLY 46 1.196 -5.338 7.016 375 HA2 GLY 46 HA2 GLY 46 0.514 -5.669 9.185 376 HA3 GLY 46 HA3 GLY 46 0.500 -7.389 8.877 377 H GLN 47 H GLN 47 2.213 -4.737 10.213 378 HA GLN 47 HA GLN 47 3.860 -6.402 11.797 379 HB2 GLN 47 HB2 GLN 47 4.903 -5.645 9.224 380 HB3 GLN 47 HB3 GLN 47 5.871 -4.911 10.495 381 HG2 GLN 47 HG2 GLN 47 5.262 -7.839 10.162 382 HG3 GLN 47 HG3 GLN 47 6.805 -7.039 9.870 383 HE21 GLN 47 HE21 GLN 47 4.666 -8.354 12.216 384 HE22 GLN 47 HE22 GLN 47 5.699 -8.162 13.588 385 H LEU 48 H LEU 48 5.165 -5.177 13.310 386 HA LEU 48 HA LEU 48 3.906 -2.704 14.024 387 HB2 LEU 48 HB2 LEU 48 5.098 -4.649 15.458 388 HB3 LEU 48 HB3 LEU 48 6.420 -3.501 15.366 389 HG LEU 48 HG LEU 48 5.122 -3.213 17.418 390 HD11 LEU 48 HD11 LEU 48 6.183 -1.247 16.695 391 HD12 LEU 48 HD12 LEU 48 4.527 -0.768 17.069 392 HD13 LEU 48 HD13 LEU 48 5.021 -1.000 15.392 393 HD21 LEU 48 HD21 LEU 48 2.775 -1.975 16.568 394 HD22 LEU 48 HD22 LEU 48 2.926 -3.549 17.348 395 HD23 LEU 48 HD23 LEU 48 2.901 -3.436 15.589 396 H CYS 49 H CYS 49 4.402 -1.376 12.214 397 HA CYS 49 HA CYS 49 7.198 -0.445 12.150 398 HB2 CYS 49 HB2 CYS 49 5.672 -1.427 10.044 399 HB3 CYS 49 HB3 CYS 49 5.601 0.319 9.837 400 HG CYS 49 HG CYS 49 7.943 -1.398 9.156 401 H LEU 50 H LEU 50 7.032 1.162 13.666 402 HA LEU 50 HA LEU 50 5.013 2.958 14.116 403 HB2 LEU 50 HB2 LEU 50 7.891 3.813 14.189 404 HB3 LEU 50 HB3 LEU 50 6.574 4.346 15.213 405 HG LEU 50 HG LEU 50 7.672 2.987 16.679 406 HD11 LEU 50 HD11 LEU 50 6.334 0.638 15.475 407 HD12 LEU 50 HD12 LEU 50 5.320 2.018 15.899 408 HD13 LEU 50 HD13 LEU 50 6.307 1.237 17.134 409 HD21 LEU 50 HD21 LEU 50 8.781 1.839 14.251 410 HD22 LEU 50 HD22 LEU 50 8.482 0.631 15.502 411 HD23 LEU 50 HD23 LEU 50 9.503 2.027 15.849 412 H ARG 51 H ARG 51 5.104 5.379 13.661 413 HA ARG 51 HA ARG 51 5.100 5.709 10.796 414 HB2 ARG 51 HB2 ARG 51 4.114 7.906 11.252 415 HB3 ARG 51 HB3 ARG 51 3.265 6.639 12.126 416 HG2 ARG 51 HG2 ARG 51 3.464 8.004 13.880 417 HG3 ARG 51 HG3 ARG 51 5.120 7.401 13.959 418 HD2 ARG 51 HD2 ARG 51 5.944 9.282 12.751 419 HD3 ARG 51 HD3 ARG 51 4.311 9.818 12.356 420 HE ARG 51 HE ARG 51 4.229 10.872 14.374 421 HH11 ARG 51 HH11 ARG 51 6.727 8.440 14.509 422 HH12 ARG 51 HH12 ARG 51 7.276 8.911 16.082 423 HH21 ARG 51 HH21 ARG 51 4.950 11.495 16.443 424 HH22 ARG 51 HH22 ARG 51 6.267 10.646 17.181 425 H LYS 52 H LYS 52 7.091 6.611 13.473 426 HA LYS 52 HA LYS 52 8.513 8.703 12.252 427 HB2 LYS 52 HB2 LYS 52 8.521 7.669 14.740 428 HB3 LYS 52 HB3 LYS 52 9.987 6.932 14.109 429 HG2 LYS 52 HG2 LYS 52 11.100 8.909 13.984 430 HG3 LYS 52 HG3 LYS 52 9.632 9.844 13.694 431 HD2 LYS 52 HD2 LYS 52 9.245 10.160 15.895 432 HD3 LYS 52 HD3 LYS 52 9.795 8.539 16.328 433 HE2 LYS 52 HE2 LYS 52 11.833 9.276 16.856 434 HE3 LYS 52 HE3 LYS 52 11.966 10.199 15.360 435 HZ1 LYS 52 HZ1 LYS 52 10.873 12.032 16.344 436 HZ2 LYS 52 HZ2 LYS 52 12.046 11.533 17.456 437 HZ3 LYS 52 HZ3 LYS 52 10.420 11.139 17.708 438 H HIS 53 H HIS 53 9.689 5.432 12.827 439 HA HIS 53 HA HIS 53 11.845 5.530 11.090 440 HB2 HIS 53 HB2 HIS 53 11.547 3.705 12.682 441 HB3 HIS 53 HB3 HIS 53 10.122 3.156 11.809 442 HD1 HIS 53 HD1 HIS 53 10.653 1.110 10.536 443 HD2 HIS 53 HD2 HIS 53 13.856 3.757 10.596 444 HE1 HIS 53 HE1 HIS 53 12.458 0.011 9.174 445 HE2 HIS 53 HE2 HIS 53 14.412 1.599 9.283 446 H LEU 54 H LEU 54 8.476 5.184 10.408 447 HA LEU 54 HA LEU 54 8.685 4.118 7.804 448 HB2 LEU 54 HB2 LEU 54 6.617 4.770 9.482 449 HB3 LEU 54 HB3 LEU 54 6.491 6.016 8.256 450 HG LEU 54 HG LEU 54 6.784 3.709 6.763 451 HD11 LEU 54 HD11 LEU 54 4.609 2.939 8.587 452 HD12 LEU 54 HD12 LEU 54 6.243 2.719 9.213 453 HD13 LEU 54 HD13 LEU 54 5.765 1.940 7.705 454 HD21 LEU 54 HD21 LEU 54 5.139 5.786 6.764 455 HD22 LEU 54 HD22 LEU 54 4.046 4.603 7.483 456 HD23 LEU 54 HD23 LEU 54 4.759 4.296 5.900 457 H LEU 55 H LEU 55 9.219 7.257 9.140 458 HA LEU 55 HA LEU 55 8.960 8.689 6.689 459 HB2 LEU 55 HB2 LEU 55 9.414 10.567 7.885 460 HB3 LEU 55 HB3 LEU 55 8.872 9.515 9.168 461 HG LEU 55 HG LEU 55 11.490 10.792 8.745 462 HD11 LEU 55 HD11 LEU 55 11.476 10.903 11.113 463 HD12 LEU 55 HD12 LEU 55 10.224 9.666 11.229 464 HD13 LEU 55 HD13 LEU 55 9.837 11.255 10.566 465 HD21 LEU 55 HD21 LEU 55 12.365 8.802 10.332 466 HD22 LEU 55 HD22 LEU 55 12.649 8.860 8.594 467 HD23 LEU 55 HD23 LEU 55 11.330 7.889 9.239 468 H GLU 56 H GLU 56 11.337 6.575 7.820 469 HA GLU 56 HA GLU 56 13.499 7.878 6.376 470 HB2 GLU 56 HB2 GLU 56 13.328 5.419 8.098 471 HB3 GLU 56 HB3 GLU 56 14.755 5.759 7.128 472 HG2 GLU 56 HG2 GLU 56 14.554 8.106 8.343 473 HG3 GLU 56 HG3 GLU 56 13.732 7.120 9.551 474 H GLU 57 H GLU 57 11.119 5.465 5.843 475 HA GLU 57 HA GLU 57 12.585 4.285 3.626 476 HB2 GLU 57 HB2 GLU 57 9.769 3.679 4.535 477 HB3 GLU 57 HB3 GLU 57 10.763 2.705 3.463 478 HG2 GLU 57 HG2 GLU 57 11.453 3.268 6.334 479 HG3 GLU 57 HG3 GLU 57 10.567 1.844 5.792 480 H ILE 58 H ILE 58 10.072 6.567 4.223 481 HA ILE 58 HA ILE 58 9.412 6.697 1.382 482 HB ILE 58 HB ILE 58 8.163 8.371 3.553 483 HG12 ILE 58 HG12 ILE 58 7.399 5.591 2.628 484 HG13 ILE 58 HG13 ILE 58 7.938 6.047 4.238 485 HG21 ILE 58 HG21 ILE 58 7.934 8.553 0.868 486 HG22 ILE 58 HG22 ILE 58 6.654 9.000 1.995 487 HG23 ILE 58 HG23 ILE 58 6.635 7.414 1.222 488 HD11 ILE 58 HD11 ILE 58 5.637 7.581 3.441 489 HD12 ILE 58 HD12 ILE 58 5.877 6.555 4.855 490 HD13 ILE 58 HD13 ILE 58 5.328 5.849 3.336 491 H LYS 59 H LYS 59 11.562 8.044 3.559 492 HA LYS 59 HA LYS 59 11.736 10.587 2.121 493 HB2 LYS 59 HB2 LYS 59 11.752 10.742 4.566 494 HB3 LYS 59 HB3 LYS 59 13.137 9.662 4.637 495 HG2 LYS 59 HG2 LYS 59 14.105 11.583 3.010 496 HG3 LYS 59 HG3 LYS 59 12.998 12.529 4.007 497 HD2 LYS 59 HD2 LYS 59 14.752 12.642 5.414 498 HD3 LYS 59 HD3 LYS 59 14.225 11.029 5.897 499 HE2 LYS 59 HE2 LYS 59 15.788 10.036 4.307 500 HE3 LYS 59 HE3 LYS 59 16.300 11.643 3.794 501 HZ1 LYS 59 HZ1 LYS 59 17.559 10.238 5.654 502 HZ2 LYS 59 HZ2 LYS 59 16.480 11.087 6.642 503 HZ3 LYS 59 HZ3 LYS 59 17.544 11.930 5.633 504 H ASN 60 H ASN 60 13.314 7.526 2.577 505 HA ASN 60 HA ASN 60 15.726 8.393 1.235 506 HB2 ASN 60 HB2 ASN 60 14.831 5.830 2.515 507 HB3 ASN 60 HB3 ASN 60 16.215 5.838 1.426 508 HD21 ASN 60 HD21 ASN 60 15.924 5.378 4.361 509 HD22 ASN 60 HD22 ASN 60 17.063 6.453 5.089 510 H HIS 61 H HIS 61 13.404 8.740 -0.253 511 HA HIS 61 HA HIS 61 14.053 7.348 -2.641 512 HB2 HIS 61 HB2 HIS 61 12.579 5.753 -1.196 513 HB3 HIS 61 HB3 HIS 61 11.262 6.823 -1.662 514 HD1 HIS 61 HD1 HIS 61 14.107 5.499 -3.809 515 HD2 HIS 61 HD2 HIS 61 9.960 5.393 -3.565 516 HE1 HIS 61 HE1 HIS 61 13.343 4.278 -5.871 517 HE2 HIS 61 HE2 HIS 61 10.827 4.298 -5.742 518 H ALA 62 H ALA 62 11.609 9.226 -0.893 519 HA ALA 62 HA ALA 62 11.717 11.509 -2.432 520 HB1 ALA 62 HB1 ALA 62 9.244 10.718 -3.497 521 HB2 ALA 62 HB2 ALA 62 10.364 9.397 -3.827 522 HB3 ALA 62 HB3 ALA 62 10.744 11.031 -4.369 523 H LYS 63 H LYS 63 11.398 12.289 -0.313 524 HA LYS 63 HA LYS 63 8.942 11.740 1.096 525 HB2 LYS 63 HB2 LYS 63 11.004 12.195 2.340 526 HB3 LYS 63 HB3 LYS 63 11.108 13.790 1.615 527 HG2 LYS 63 HG2 LYS 63 9.432 14.643 2.914 528 HG3 LYS 63 HG3 LYS 63 8.653 13.075 3.132 529 HD2 LYS 63 HD2 LYS 63 9.577 13.165 5.184 530 HD3 LYS 63 HD3 LYS 63 11.040 12.642 4.347 531 HE2 LYS 63 HE2 LYS 63 11.797 14.922 4.152 532 HE3 LYS 63 HE3 LYS 63 10.286 15.520 4.835 533 HZ1 LYS 63 HZ1 LYS 63 11.854 15.551 6.567 534 HZ2 LYS 63 HZ2 LYS 63 12.425 14.000 6.208 535 HZ3 LYS 63 HZ3 LYS 63 10.883 14.200 6.875 536 H ALA 64 H ALA 64 8.034 12.524 -1.236 537 HA ALA 64 HA ALA 64 6.804 14.050 -2.396 538 HB1 ALA 64 HB1 ALA 64 6.293 15.192 0.346 539 HB2 ALA 64 HB2 ALA 64 5.456 13.795 -0.334 540 HB3 ALA 64 HB3 ALA 64 5.280 15.381 -1.086 541 H ILE 65 H ILE 65 9.567 14.629 -2.151 542 HA ILE 65 HA ILE 65 11.125 16.299 -2.283 543 HB ILE 65 HB ILE 65 10.109 16.435 -4.469 544 HG12 ILE 65 HG12 ILE 65 10.224 19.286 -4.253 545 HG13 ILE 65 HG13 ILE 65 11.424 18.595 -3.166 546 HG21 ILE 65 HG21 ILE 65 7.821 16.728 -3.977 547 HG22 ILE 65 HG22 ILE 65 8.324 18.151 -4.890 548 HG23 ILE 65 HG23 ILE 65 8.121 18.252 -3.141 549 HD11 ILE 65 HD11 ILE 65 11.867 19.111 -5.759 550 HD12 ILE 65 HD12 ILE 65 11.332 17.433 -5.864 551 HD13 ILE 65 HD13 ILE 65 12.711 17.857 -4.850 552 H VAL 66 H VAL 66 10.047 16.436 0.166 553 HA VAL 66 HA VAL 66 9.801 17.758 1.988 554 HB VAL 66 HB VAL 66 11.070 19.748 0.122 555 HG11 VAL 66 HG11 VAL 66 9.926 21.045 1.778 556 HG12 VAL 66 HG12 VAL 66 11.638 21.020 2.202 557 HG13 VAL 66 HG13 VAL 66 10.499 19.992 3.072 558 HG21 VAL 66 HG21 VAL 66 12.130 17.941 2.277 559 HG22 VAL 66 HG22 VAL 66 13.057 19.282 1.604 560 HG23 VAL 66 HG23 VAL 66 12.545 17.953 0.563 561 H ALA 67 H ALA 67 8.500 19.351 2.967 562 HA ALA 67 HA ALA 67 6.728 20.747 3.234 563 HB1 ALA 67 HB1 ALA 67 6.121 21.183 0.396 564 HB2 ALA 67 HB2 ALA 67 7.754 21.638 0.883 565 HB3 ALA 67 HB3 ALA 67 6.361 22.348 1.699 566 H ARG 68 H ARG 68 6.546 17.896 2.844 567 HA ARG 68 HA ARG 68 3.695 17.696 2.681 568 HB2 ARG 68 HB2 ARG 68 5.362 16.923 0.387 569 HB3 ARG 68 HB3 ARG 68 4.225 15.686 0.907 570 HG2 ARG 68 HG2 ARG 68 2.729 18.018 0.887 571 HG3 ARG 68 HG3 ARG 68 3.756 18.141 -0.542 572 HD2 ARG 68 HD2 ARG 68 2.915 16.154 -1.456 573 HD3 ARG 68 HD3 ARG 68 2.232 15.634 0.084 574 HE ARG 68 HE ARG 68 1.020 17.377 -1.849 575 HH11 ARG 68 HH11 ARG 68 1.101 16.461 1.517 576 HH12 ARG 68 HH12 ARG 68 -0.507 17.019 1.837 577 HH21 ARG 68 HH21 ARG 68 -1.094 18.111 -1.431 578 HH22 ARG 68 HH22 ARG 68 -1.754 17.955 0.163 579 H ASN 69 H ASN 69 5.017 17.225 4.868 580 HA ASN 69 HA ASN 69 6.357 14.975 5.489 581 HB2 ASN 69 HB2 ASN 69 3.972 15.843 7.123 582 HB3 ASN 69 HB3 ASN 69 5.444 15.065 7.696 583 HD21 ASN 69 HD21 ASN 69 3.936 18.015 6.789 584 HD22 ASN 69 HD22 ASN 69 5.237 19.068 7.216 585 H VAL 70 H VAL 70 6.031 12.816 5.715 586 HA VAL 70 HA VAL 70 4.173 11.504 4.170 587 HB VAL 70 HB VAL 70 6.220 10.443 5.047 588 HG11 VAL 70 HG11 VAL 70 4.869 9.728 7.588 589 HG12 VAL 70 HG12 VAL 70 5.569 11.344 7.461 590 HG13 VAL 70 HG13 VAL 70 6.586 9.921 7.228 591 HG21 VAL 70 HG21 VAL 70 5.219 8.221 5.500 592 HG22 VAL 70 HG22 VAL 70 4.533 9.028 4.089 593 HG23 VAL 70 HG23 VAL 70 3.639 8.995 5.609 594 H ASP 71 H ASP 71 3.912 12.480 7.508 595 HA ASP 71 HA ASP 71 1.699 11.028 8.310 596 HB2 ASP 71 HB2 ASP 71 3.199 13.158 9.344 597 HB3 ASP 71 HB3 ASP 71 1.533 13.729 9.318 598 H VAL 72 H VAL 72 1.586 14.374 7.208 599 HA VAL 72 HA VAL 72 -1.174 14.519 6.859 600 HB VAL 72 HB VAL 72 0.805 16.017 5.146 601 HG11 VAL 72 HG11 VAL 72 -1.697 17.179 6.261 602 HG12 VAL 72 HG12 VAL 72 -1.812 16.070 4.895 603 HG13 VAL 72 HG13 VAL 72 -0.854 17.544 4.756 604 HG21 VAL 72 HG21 VAL 72 0.685 15.991 7.976 605 HG22 VAL 72 HG22 VAL 72 0.028 17.533 7.429 606 HG23 VAL 72 HG23 VAL 72 1.645 17.037 6.930 607 H HIS 73 H HIS 73 1.250 13.024 4.935 608 HA HIS 73 HA HIS 73 -0.230 12.937 2.498 609 HB2 HIS 73 HB2 HIS 73 2.383 12.176 3.387 610 HB3 HIS 73 HB3 HIS 73 1.642 10.805 2.570 611 HD1 HIS 73 HD1 HIS 73 0.040 12.662 0.499 612 HD2 HIS 73 HD2 HIS 73 4.119 12.742 1.290 613 HE1 HIS 73 HE1 HIS 73 1.102 13.663 -1.549 614 HE2 HIS 73 HE2 HIS 73 3.577 13.623 -1.081 615 H ILE 74 H ILE 74 -0.113 11.037 5.387 616 HA ILE 74 HA ILE 74 -1.265 8.672 4.302 617 HB ILE 74 HB ILE 74 -1.442 9.565 7.175 618 HG12 ILE 74 HG12 ILE 74 0.873 9.673 6.716 619 HG13 ILE 74 HG13 ILE 74 0.629 8.091 7.442 620 HG21 ILE 74 HG21 ILE 74 -2.123 7.480 7.686 621 HG22 ILE 74 HG22 ILE 74 -1.111 6.730 6.451 622 HG23 ILE 74 HG23 ILE 74 -2.649 7.467 6.002 623 HD11 ILE 74 HD11 ILE 74 1.602 8.805 4.799 624 HD12 ILE 74 HD12 ILE 74 0.341 7.572 4.768 625 HD13 ILE 74 HD13 ILE 74 1.803 7.316 5.722 626 H ALA 75 H ALA 75 -2.527 11.640 5.594 627 HA ALA 75 HA ALA 75 -5.212 10.722 5.852 628 HB1 ALA 75 HB1 ALA 75 -4.984 12.505 7.226 629 HB2 ALA 75 HB2 ALA 75 -5.523 13.381 5.792 630 HB3 ALA 75 HB3 ALA 75 -3.804 13.293 6.178 631 H SER 76 H SER 76 -3.335 12.248 3.363 632 HA SER 76 HA SER 76 -5.574 12.868 1.686 633 HB2 SER 76 HB2 SER 76 -3.522 12.936 -0.048 634 HB3 SER 76 HB3 SER 76 -3.852 14.252 1.077 635 HG SER 76 HG SER 76 -1.661 13.594 1.139 636 H LEU 77 H LEU 77 -3.472 10.169 2.169 637 HA LEU 77 HA LEU 77 -4.068 8.816 -0.249 638 HB2 LEU 77 HB2 LEU 77 -2.077 8.238 0.982 639 HB3 LEU 77 HB3 LEU 77 -3.025 7.827 2.399 640 HG LEU 77 HG LEU 77 -4.027 5.938 1.148 641 HD11 LEU 77 HD11 LEU 77 -2.141 6.886 -0.991 642 HD12 LEU 77 HD12 LEU 77 -3.882 6.632 -1.103 643 HD13 LEU 77 HD13 LEU 77 -2.797 5.250 -0.949 644 HD21 LEU 77 HD21 LEU 77 -2.371 5.061 2.404 645 HD22 LEU 77 HD22 LEU 77 -1.164 6.197 1.803 646 HD23 LEU 77 HD23 LEU 77 -1.616 4.796 0.832 647 H ARG 78 H ARG 78 -5.501 8.982 2.910 648 HA ARG 78 HA ARG 78 -7.250 6.776 2.664 649 HB2 ARG 78 HB2 ARG 78 -6.803 8.950 4.537 650 HB3 ARG 78 HB3 ARG 78 -8.516 8.608 4.342 651 HG2 ARG 78 HG2 ARG 78 -8.353 6.820 5.633 652 HG3 ARG 78 HG3 ARG 78 -7.085 6.147 4.607 653 HD2 ARG 78 HD2 ARG 78 -6.470 6.506 7.028 654 HD3 ARG 78 HD3 ARG 78 -5.381 7.225 5.842 655 HE ARG 78 HE ARG 78 -7.255 9.161 6.528 656 HH11 ARG 78 HH11 ARG 78 -4.703 7.351 8.074 657 HH12 ARG 78 HH12 ARG 78 -4.347 8.596 9.225 658 HH21 ARG 78 HH21 ARG 78 -6.789 10.799 8.040 659 HH22 ARG 78 HH22 ARG 78 -5.532 10.553 9.206 660 H LYS 79 H LYS 79 -7.274 9.901 1.263 661 HA LYS 79 HA LYS 79 -10.128 9.947 0.820 662 HB2 LYS 79 HB2 LYS 79 -8.921 12.047 1.186 663 HB3 LYS 79 HB3 LYS 79 -7.956 11.745 -0.252 664 HG2 LYS 79 HG2 LYS 79 -9.698 12.208 -1.686 665 HG3 LYS 79 HG3 LYS 79 -10.929 11.859 -0.470 666 HD2 LYS 79 HD2 LYS 79 -9.783 13.923 0.739 667 HD3 LYS 79 HD3 LYS 79 -9.342 14.331 -0.920 668 HE2 LYS 79 HE2 LYS 79 -11.440 14.906 -1.457 669 HE3 LYS 79 HE3 LYS 79 -12.132 13.521 -0.615 670 HZ1 LYS 79 HZ1 LYS 79 -12.904 15.171 0.704 671 HZ2 LYS 79 HZ2 LYS 79 -11.627 16.225 0.358 672 HZ3 LYS 79 HZ3 LYS 79 -11.404 14.962 1.461 673 H LYS 80 H LYS 80 -7.236 9.298 -1.025 674 HA LYS 80 HA LYS 80 -8.760 8.795 -3.422 675 HB2 LYS 80 HB2 LYS 80 -5.796 8.480 -3.001 676 HB3 LYS 80 HB3 LYS 80 -6.641 8.535 -4.541 677 HG2 LYS 80 HG2 LYS 80 -6.967 10.861 -2.744 678 HG3 LYS 80 HG3 LYS 80 -5.395 10.641 -3.515 679 HD2 LYS 80 HD2 LYS 80 -6.709 10.368 -5.694 680 HD3 LYS 80 HD3 LYS 80 -8.079 11.037 -4.804 681 HE2 LYS 80 HE2 LYS 80 -6.837 13.055 -4.334 682 HE3 LYS 80 HE3 LYS 80 -5.393 12.379 -5.089 683 HZ1 LYS 80 HZ1 LYS 80 -7.807 13.461 -6.328 684 HZ2 LYS 80 HZ2 LYS 80 -7.056 12.160 -7.106 685 HZ3 LYS 80 HZ3 LYS 80 -6.192 13.584 -6.817 686 H LEU 81 H LEU 81 -6.599 7.040 -1.286 687 HA LEU 81 HA LEU 81 -6.732 4.533 -2.479 688 HB2 LEU 81 HB2 LEU 81 -5.156 5.163 -0.696 689 HB3 LEU 81 HB3 LEU 81 -6.472 5.173 0.458 690 HG LEU 81 HG LEU 81 -6.687 2.837 0.419 691 HD11 LEU 81 HD11 LEU 81 -4.979 2.867 -2.062 692 HD12 LEU 81 HD12 LEU 81 -6.683 2.427 -1.944 693 HD13 LEU 81 HD13 LEU 81 -5.455 1.408 -1.193 694 HD21 LEU 81 HD21 LEU 81 -4.414 3.979 1.248 695 HD22 LEU 81 HD22 LEU 81 -3.757 2.858 0.058 696 HD23 LEU 81 HD23 LEU 81 -4.733 2.251 1.395 697 H GLY 82 H GLY 82 -8.448 5.339 0.550 698 HA2 GLY 82 HA2 GLY 82 -10.921 5.098 0.531 699 HA3 GLY 82 HA3 GLY 82 -10.668 3.637 -0.410 700 H ALA 83 H ALA 83 -11.418 2.065 0.878 701 HA ALA 83 HA ALA 83 -11.243 2.036 3.690 702 HB1 ALA 83 HB1 ALA 83 -12.924 0.676 2.976 703 HB2 ALA 83 HB2 ALA 83 -11.662 -0.532 3.216 704 HB3 ALA 83 HB3 ALA 83 -12.004 0.075 1.596 705 H TYR 84 H TYR 84 -8.893 1.356 1.325 706 HA TYR 84 HA TYR 84 -7.372 -0.480 2.956 707 HB2 TYR 84 HB2 TYR 84 -6.390 0.897 0.463 708 HB3 TYR 84 HB3 TYR 84 -5.870 -0.643 1.135 709 HD1 TYR 84 HD1 TYR 84 -8.160 -2.230 1.508 710 HD2 TYR 84 HD2 TYR 84 -7.460 0.635 -1.558 711 HE1 TYR 84 HE1 TYR 84 -9.759 -3.403 0.055 712 HE2 TYR 84 HE2 TYR 84 -9.057 -0.531 -3.020 713 HH TYR 84 HH TYR 84 -11.295 -2.475 -2.118 714 H GLY 85 H GLY 85 -7.479 2.932 2.231 715 HA2 GLY 85 HA2 GLY 85 -4.918 3.684 3.102 716 HA3 GLY 85 HA3 GLY 85 -6.342 4.714 3.140 717 H SER 86 H SER 86 -7.813 2.849 4.854 718 HA SER 86 HA SER 86 -6.950 3.868 7.374 719 HB2 SER 86 HB2 SER 86 -9.343 2.975 6.414 720 HB3 SER 86 HB3 SER 86 -8.836 1.596 7.390 721 HG SER 86 HG SER 86 -8.951 4.285 8.295 722 H ARG 87 H ARG 87 -6.011 1.226 5.485 723 HA ARG 87 HA ARG 87 -5.549 -0.847 7.225 724 HB2 ARG 87 HB2 ARG 87 -5.070 -0.862 4.784 725 HB3 ARG 87 HB3 ARG 87 -3.626 0.093 5.092 726 HG2 ARG 87 HG2 ARG 87 -2.602 -1.677 6.290 727 HG3 ARG 87 HG3 ARG 87 -4.104 -2.601 6.336 728 HD2 ARG 87 HD2 ARG 87 -2.239 -2.125 4.045 729 HD3 ARG 87 HD3 ARG 87 -2.897 -3.645 4.648 730 HE ARG 87 HE ARG 87 -4.035 -1.975 2.659 731 HH11 ARG 87 HH11 ARG 87 -4.894 -4.073 5.313 732 HH12 ARG 87 HH12 ARG 87 -6.453 -4.458 4.665 733 HH21 ARG 87 HH21 ARG 87 -6.082 -2.488 1.805 734 HH22 ARG 87 HH22 ARG 87 -7.126 -3.562 2.674 735 H ILE 88 H ILE 88 -3.920 2.228 7.080 736 HA ILE 88 HA ILE 88 -1.736 1.362 8.782 737 HB ILE 88 HB ILE 88 -2.057 4.249 8.698 738 HG12 ILE 88 HG12 ILE 88 -3.152 3.923 6.565 739 HG13 ILE 88 HG13 ILE 88 -1.525 4.526 6.285 740 HG21 ILE 88 HG21 ILE 88 0.140 2.635 7.452 741 HG22 ILE 88 HG22 ILE 88 -0.015 2.804 9.199 742 HG23 ILE 88 HG23 ILE 88 0.225 4.233 8.193 743 HD11 ILE 88 HD11 ILE 88 -2.748 2.229 5.214 744 HD12 ILE 88 HD12 ILE 88 -1.452 1.685 6.277 745 HD13 ILE 88 HD13 ILE 88 -1.102 2.811 4.965 746 H VAL 89 H VAL 89 -2.595 0.665 10.709 747 HA VAL 89 HA VAL 89 -4.534 2.259 12.134 748 HB VAL 89 HB VAL 89 -3.014 -0.162 13.101 749 HG11 VAL 89 HG11 VAL 89 -5.420 -0.196 14.349 750 HG12 VAL 89 HG12 VAL 89 -5.102 1.537 14.257 751 HG13 VAL 89 HG13 VAL 89 -3.940 0.467 15.041 752 HG21 VAL 89 HG21 VAL 89 -4.125 -1.029 11.286 753 HG22 VAL 89 HG22 VAL 89 -5.454 0.123 11.413 754 HG23 VAL 89 HG23 VAL 89 -5.342 -1.222 12.548 755 H THR 90 H THR 90 -4.016 3.973 13.311 756 HA THR 90 HA THR 90 -1.292 4.265 14.325 757 HB THR 90 HB THR 90 -3.543 6.280 14.394 758 HG1 THR 90 HG1 THR 90 -2.917 6.950 12.454 759 HG21 THR 90 HG21 THR 90 -0.909 7.369 14.121 760 HG22 THR 90 HG22 THR 90 -1.008 6.355 15.561 761 HG23 THR 90 HG23 THR 90 -2.137 7.692 15.345 762 H LEU 91 H LEU 91 -1.162 3.010 16.137 763 HA LEU 91 HA LEU 91 -3.221 3.211 18.183 764 HB2 LEU 91 HB2 LEU 91 -1.160 1.307 17.457 765 HB3 LEU 91 HB3 LEU 91 -1.119 1.663 19.173 766 HG LEU 91 HG LEU 91 -3.826 1.250 18.586 767 HD11 LEU 91 HD11 LEU 91 -2.502 -1.199 17.605 768 HD12 LEU 91 HD12 LEU 91 -2.590 0.154 16.477 769 HD13 LEU 91 HD13 LEU 91 -4.067 -0.504 17.184 770 HD21 LEU 91 HD21 LEU 91 -2.020 -0.870 19.691 771 HD22 LEU 91 HD22 LEU 91 -3.669 -0.457 20.160 772 HD23 LEU 91 HD23 LEU 91 -2.336 0.616 20.587 773 H ARG 92 H ARG 92 -3.126 4.647 19.769 774 HA ARG 92 HA ARG 92 -0.850 6.323 20.155 775 HB2 ARG 92 HB2 ARG 92 -2.205 7.170 22.132 776 HB3 ARG 92 HB3 ARG 92 -2.951 7.331 20.548 777 HG2 ARG 92 HG2 ARG 92 -3.692 4.815 21.676 778 HG3 ARG 92 HG3 ARG 92 -3.996 6.095 22.851 779 HD2 ARG 92 HD2 ARG 92 -4.981 7.278 20.663 780 HD3 ARG 92 HD3 ARG 92 -5.244 5.594 20.213 781 HE ARG 92 HE ARG 92 -6.633 7.087 22.238 782 HH11 ARG 92 HH11 ARG 92 -5.719 3.897 21.158 783 HH12 ARG 92 HH12 ARG 92 -7.021 3.109 21.983 784 HH21 ARG 92 HH21 ARG 92 -8.346 6.051 23.325 785 HH22 ARG 92 HH22 ARG 92 -8.512 4.331 23.213 786 H GLY 93 H GLY 93 0.594 4.395 20.521 787 HA2 GLY 93 HA2 GLY 93 1.629 4.327 23.046 788 HA3 GLY 93 HA3 GLY 93 0.427 3.044 23.052 789 H VAL 94 H VAL 94 0.807 2.333 20.275 790 HA VAL 94 HA VAL 94 3.369 0.915 20.548 791 HB VAL 94 HB VAL 94 1.436 0.103 18.442 792 HG11 VAL 94 HG11 VAL 94 3.171 -1.349 18.412 793 HG12 VAL 94 HG12 VAL 94 2.210 -2.151 19.654 794 HG13 VAL 94 HG13 VAL 94 3.551 -1.103 20.116 795 HG21 VAL 94 HG21 VAL 94 0.977 -0.583 21.345 796 HG22 VAL 94 HG22 VAL 94 0.064 -1.186 19.961 797 HG23 VAL 94 HG23 VAL 94 -0.018 0.521 20.394 798 H GLY 95 H GLY 95 1.401 2.812 18.315 799 HA2 GLY 95 HA2 GLY 95 2.777 4.463 17.022 800 HA3 GLY 95 HA3 GLY 95 3.774 3.089 16.576 801 H TYR 96 H TYR 96 3.369 2.225 14.663 802 HA TYR 96 HA TYR 96 0.712 2.660 13.482 803 HB2 TYR 96 HB2 TYR 96 3.325 3.238 12.476 804 HB3 TYR 96 HB3 TYR 96 2.611 1.994 11.462 805 HD1 TYR 96 HD1 TYR 96 -0.311 3.045 11.945 806 HD2 TYR 96 HD2 TYR 96 3.319 4.909 10.746 807 HE1 TYR 96 HE1 TYR 96 -1.597 4.779 10.772 808 HE2 TYR 96 HE2 TYR 96 2.043 6.648 9.567 809 HH TYR 96 HH TYR 96 -1.253 7.136 10.024 810 H LEU 97 H LEU 97 -0.474 0.880 13.418 811 HA LEU 97 HA LEU 97 0.899 -1.712 13.196 812 HB2 LEU 97 HB2 LEU 97 -0.420 -1.476 15.216 813 HB3 LEU 97 HB3 LEU 97 -1.834 -1.047 14.286 814 HG LEU 97 HG LEU 97 -1.697 -3.424 15.217 815 HD11 LEU 97 HD11 LEU 97 -3.247 -3.959 13.708 816 HD12 LEU 97 HD12 LEU 97 -2.118 -3.806 12.362 817 HD13 LEU 97 HD13 LEU 97 -2.928 -2.375 13.000 818 HD21 LEU 97 HD21 LEU 97 0.605 -3.905 14.623 819 HD22 LEU 97 HD22 LEU 97 0.228 -3.696 12.912 820 HD23 LEU 97 HD23 LEU 97 -0.484 -5.033 13.814 821 H PHE 98 H PHE 98 0.800 -2.676 11.308 822 HA PHE 98 HA PHE 98 -1.177 -1.854 9.355 823 HB2 PHE 98 HB2 PHE 98 0.969 -3.963 9.058 824 HB3 PHE 98 HB3 PHE 98 0.071 -3.177 7.768 825 HD1 PHE 98 HD1 PHE 98 0.297 -0.380 9.208 826 HD2 PHE 98 HD2 PHE 98 3.096 -3.376 8.061 827 HE1 PHE 98 HE1 PHE 98 2.054 1.332 9.037 828 HE2 PHE 98 HE2 PHE 98 4.858 -1.668 7.889 829 HZ PHE 98 HZ PHE 98 4.338 0.689 8.377 830 H SER 99 H SER 99 -3.115 -2.634 9.879 831 HA SER 99 HA SER 99 -3.928 -4.778 11.256 832 HB2 SER 99 HB2 SER 99 -5.154 -3.713 8.710 833 HB3 SER 99 HB3 SER 99 -5.962 -4.867 9.770 834 HG SER 99 HG SER 99 -6.635 -2.895 10.443 835 H ASP 100 H ASP 100 -4.129 -6.922 11.090 836 HA ASP 100 HA ASP 100 -2.434 -8.429 9.531 837 HB2 ASP 100 HB2 ASP 100 -4.535 -8.915 11.433 838 HB3 ASP 100 HB3 ASP 100 -4.611 -10.104 10.138 839 H ASP 101 H ASP 101 -5.504 -7.144 8.672 840 HA ASP 101 HA ASP 101 -6.615 -8.787 6.854 841 HB2 ASP 101 HB2 ASP 101 -6.808 -6.086 7.401 842 HB3 ASP 101 HB3 ASP 101 -6.330 -6.113 5.706 843 H GLY 102 H GLY 102 -4.323 -6.313 5.684 844 HA2 GLY 102 HA2 GLY 102 -3.120 -6.298 3.691 845 HA3 GLY 102 HA3 GLY 102 -2.370 -7.671 4.484 846 H ASP 103 H ASP 103 -4.928 -6.733 2.228 847 HA ASP 103 HA ASP 103 -5.515 -9.379 1.391 848 HB2 ASP 103 HB2 ASP 103 -6.413 -6.702 0.762 849 HB3 ASP 103 HB3 ASP 103 -6.216 -7.655 -0.706 850 H LYS 104 H LYS 104 -3.745 -10.512 0.714 851 HA LYS 104 HA LYS 104 -1.702 -9.478 -0.922 852 HB2 LYS 104 HB2 LYS 104 -1.147 -11.915 -1.217 853 HB3 LYS 104 HB3 LYS 104 -1.209 -11.355 0.442 854 HG2 LYS 104 HG2 LYS 104 -2.624 -12.991 0.901 855 HG3 LYS 104 HG3 LYS 104 -3.794 -12.256 -0.195 856 HD2 LYS 104 HD2 LYS 104 -3.363 -13.731 -1.861 857 HD3 LYS 104 HD3 LYS 104 -1.652 -13.859 -1.450 858 HE2 LYS 104 HE2 LYS 104 -2.110 -15.834 -0.536 859 HE3 LYS 104 HE3 LYS 104 -2.992 -14.971 0.723 860 HZ1 LYS 104 HZ1 LYS 104 -4.149 -16.819 -0.676 861 HZ2 LYS 104 HZ2 LYS 104 -4.356 -15.577 -1.805 862 HZ3 LYS 104 HZ3 LYS 104 -4.998 -15.419 -0.248 863 H LYS 105 H LYS 105 -1.160 -10.310 -3.096 864 HA LYS 105 HA LYS 105 -3.258 -9.845 -4.919 865 HB2 LYS 105 HB2 LYS 105 -1.605 -10.578 -6.642 866 HB3 LYS 105 HB3 LYS 105 -1.003 -9.331 -5.559 867 HG2 LYS 105 HG2 LYS 105 0.296 -10.922 -4.337 868 HG3 LYS 105 HG3 LYS 105 -0.433 -12.265 -5.220 869 HD2 LYS 105 HD2 LYS 105 0.630 -11.602 -7.252 870 HD3 LYS 105 HD3 LYS 105 1.175 -10.084 -6.537 871 HE2 LYS 105 HE2 LYS 105 2.216 -11.969 -4.832 872 HE3 LYS 105 HE3 LYS 105 2.352 -12.752 -6.406 873 HZ1 LYS 105 HZ1 LYS 105 3.266 -10.352 -7.018 874 HZ2 LYS 105 HZ2 LYS 105 4.269 -11.585 -6.439 875 HZ3 LYS 105 HZ3 LYS 105 3.710 -10.386 -5.385 876 H PHE 106 H PHE 106 -4.431 -11.217 -6.225 877 HA PHE 106 HA PHE 106 -5.038 -13.773 -5.183 878 HB2 PHE 106 HB2 PHE 106 -6.008 -12.050 -7.335 879 HB3 PHE 106 HB3 PHE 106 -6.089 -13.761 -7.739 880 HD1 PHE 106 HD1 PHE 106 -6.941 -11.422 -4.965 881 HD2 PHE 106 HD2 PHE 106 -7.944 -14.963 -7.103 882 HE1 PHE 106 HE1 PHE 106 -9.007 -11.630 -3.645 883 HE2 PHE 106 HE2 PHE 106 -10.012 -15.177 -5.787 884 HZ PHE 106 HZ PHE 106 -10.545 -13.509 -4.054 885 H SER 107 H SER 107 -5.182 -15.700 -6.813 886 HA SER 107 HA SER 107 -2.543 -16.526 -7.351 887 HB2 SER 107 HB2 SER 107 -4.615 -17.972 -6.862 888 HB3 SER 107 HB3 SER 107 -4.984 -17.798 -8.578 889 HG SER 107 HG SER 107 -3.190 -18.919 -9.093 890 H GLN 108 H GLN 108 -1.388 -15.427 -8.836 891 HA GLN 108 HA GLN 108 -2.482 -14.379 -11.232 892 HB2 GLN 108 HB2 GLN 108 -0.488 -13.437 -10.104 893 HB3 GLN 108 HB3 GLN 108 0.416 -14.880 -10.538 894 HG2 GLN 108 HG2 GLN 108 0.654 -14.254 -12.695 895 HG3 GLN 108 HG3 GLN 108 -0.910 -13.442 -12.748 896 HE21 GLN 108 HE21 GLN 108 2.460 -13.133 -12.052 897 HE22 GLN 108 HE22 GLN 108 2.480 -11.416 -11.858 898 H GLN 109 H GLN 109 0.155 -16.762 -10.985 899 HA GLN 109 HA GLN 109 -0.332 -17.784 -13.582 900 HB2 GLN 109 HB2 GLN 109 1.885 -17.822 -12.468 901 HB3 GLN 109 HB3 GLN 109 1.272 -19.027 -11.344 902 HG2 GLN 109 HG2 GLN 109 0.715 -20.363 -13.506 903 HG3 GLN 109 HG3 GLN 109 1.905 -19.292 -14.245 904 HE21 GLN 109 HE21 GLN 109 3.783 -19.013 -12.349 905 HE22 GLN 109 HE22 GLN 109 4.508 -20.535 -11.973 906 H ASP 110 H ASP 110 -2.116 -18.887 -14.067 907 HA ASP 110 HA ASP 110 -3.039 -20.942 -12.168 908 HB2 ASP 110 HB2 ASP 110 -4.593 -18.987 -12.579 909 HB3 ASP 110 HB3 ASP 110 -4.752 -19.561 -14.236 910 H THR 111 H THR 111 -1.842 -20.339 -15.309 911 HA THR 111 HA THR 111 -2.992 -22.413 -16.784 912 HB THR 111 HB THR 111 -0.712 -22.301 -18.039 913 HG1 THR 111 HG1 THR 111 0.593 -21.335 -16.590 914 HG21 THR 111 HG21 THR 111 -2.677 -20.067 -17.806 915 HG22 THR 111 HG22 THR 111 -2.428 -21.207 -19.128 916 HG23 THR 111 HG23 THR 111 -1.259 -19.917 -18.843 917 H LYS 112 H LYS 112 -3.092 -24.442 -16.029 918 HA LYS 112 HA LYS 112 -0.675 -25.942 -15.757 919 HB2 LYS 112 HB2 LYS 112 -2.217 -25.110 -13.370 920 HB3 LYS 112 HB3 LYS 112 -1.708 -26.793 -13.418 921 HG2 LYS 112 HG2 LYS 112 0.264 -26.157 -12.644 922 HG3 LYS 112 HG3 LYS 112 0.541 -25.312 -14.168 923 HD2 LYS 112 HD2 LYS 112 0.079 -23.273 -13.277 924 HD3 LYS 112 HD3 LYS 112 -1.123 -23.917 -12.156 925 HE2 LYS 112 HE2 LYS 112 0.685 -24.836 -10.771 926 HE3 LYS 112 HE3 LYS 112 1.872 -24.156 -11.882 927 HZ1 LYS 112 HZ1 LYS 112 0.506 -21.977 -11.328 928 HZ2 LYS 112 HZ2 LYS 112 1.800 -22.494 -10.369 929 HZ3 LYS 112 HZ3 LYS 112 0.211 -22.820 -9.891 930 H LEU 113 H LEU 113 -2.006 -26.685 -17.656 931 HA LEU 113 HA LEU 113 -4.393 -28.148 -17.217 932 HB2 LEU 113 HB2 LEU 113 -2.580 -27.609 -19.461 933 HB3 LEU 113 HB3 LEU 113 -3.378 -29.168 -19.544 934 HG LEU 113 HG LEU 113 -4.609 -27.439 -20.773 935 HD11 LEU 113 HD11 LEU 113 -5.755 -28.905 -18.480 936 HD12 LEU 113 HD12 LEU 113 -6.146 -28.993 -20.197 937 HD13 LEU 113 HD13 LEU 113 -6.773 -27.668 -19.216 938 HD21 LEU 113 HD21 LEU 113 -4.388 -25.390 -19.841 939 HD22 LEU 113 HD22 LEU 113 -4.338 -26.023 -18.195 940 HD23 LEU 113 HD23 LEU 113 -5.883 -25.853 -19.029 941 H SER 114 H SER 114 -4.740 -30.315 -16.942 942 HA SER 114 HA SER 114 -2.727 -31.820 -15.658 943 HB2 SER 114 HB2 SER 114 -4.637 -33.673 -16.383 944 HB3 SER 114 HB3 SER 114 -4.668 -32.697 -14.915 945 HG SER 114 HG SER 114 -6.452 -32.701 -16.794 946 H LEU 115 H LEU 115 -1.928 -33.948 -16.335 947 HA LEU 115 HA LEU 115 -0.677 -33.861 -18.836 948 HB2 LEU 115 HB2 LEU 115 -1.055 -35.974 -16.746 949 HB3 LEU 115 HB3 LEU 115 -0.278 -36.358 -18.262 950 HG LEU 115 HG LEU 115 1.465 -35.923 -16.729 951 HD11 LEU 115 HD11 LEU 115 1.624 -34.819 -18.986 952 HD12 LEU 115 HD12 LEU 115 2.635 -34.119 -17.721 953 HD13 LEU 115 HD13 LEU 115 1.137 -33.319 -18.197 954 HD21 LEU 115 HD21 LEU 115 0.147 -33.306 -16.028 955 HD22 LEU 115 HD22 LEU 115 1.580 -34.018 -15.288 956 HD23 LEU 115 HD23 LEU 115 0.004 -34.777 -15.065 957 H GLU 116 H GLU 116 -1.872 -33.859 -20.655 958 HA GLU 116 HA GLU 116 -4.157 -35.641 -20.915 959 HB2 GLU 116 HB2 GLU 116 -3.802 -33.130 -21.793 960 HB3 GLU 116 HB3 GLU 116 -3.236 -34.001 -23.212 961 HG2 GLU 116 HG2 GLU 116 -5.388 -33.959 -23.807 962 HG3 GLU 116 HG3 GLU 116 -5.537 -35.322 -22.699 Start of MODEL 16 1 H1 HIS 1 H1 HIS 1 8.285 -15.347 0.601 2 H2 HIS 1 H2 HIS 1 7.421 -14.650 -0.707 3 H3 HIS 1 H3 HIS 1 7.560 -16.355 -0.580 4 HA HIS 1 HA HIS 1 6.113 -16.500 1.136 5 HB2 HIS 1 HB2 HIS 1 6.907 -13.643 1.574 6 HB3 HIS 1 HB3 HIS 1 5.380 -14.221 2.234 7 HD1 HIS 1 HD1 HIS 1 5.706 -14.705 4.630 8 HD2 HIS 1 HD2 HIS 1 8.998 -15.854 2.371 9 HE1 HIS 1 HE1 HIS 1 7.300 -15.771 6.258 10 HE2 HIS 1 HE2 HIS 1 9.317 -16.390 4.881 11 H SER 2 H SER 2 3.797 -15.500 1.424 12 HA SER 2 HA SER 2 2.764 -15.142 -1.272 13 HB2 SER 2 HB2 SER 2 1.733 -16.830 0.209 14 HB3 SER 2 HB3 SER 2 1.279 -15.550 1.334 15 HG SER 2 HG SER 2 0.046 -14.631 -0.407 16 H VAL 3 H VAL 3 3.685 -12.934 -1.378 17 HA VAL 3 HA VAL 3 2.318 -10.920 0.211 18 HB VAL 3 HB VAL 3 3.756 -9.297 -0.943 19 HG11 VAL 3 HG11 VAL 3 4.481 -11.041 0.990 20 HG12 VAL 3 HG12 VAL 3 5.499 -9.719 0.419 21 HG13 VAL 3 HG13 VAL 3 5.734 -11.349 -0.212 22 HG21 VAL 3 HG21 VAL 3 4.204 -11.576 -2.718 23 HG22 VAL 3 HG22 VAL 3 5.683 -10.742 -2.245 24 HG23 VAL 3 HG23 VAL 3 4.377 -9.849 -3.024 25 HA PRO 4 HA PRO 4 -0.883 -10.382 -2.831 26 HB2 PRO 4 HB2 PRO 4 -1.226 -7.678 -1.724 27 HB3 PRO 4 HB3 PRO 4 -2.366 -9.023 -1.771 28 HG2 PRO 4 HG2 PRO 4 -1.194 -8.216 0.512 29 HG3 PRO 4 HG3 PRO 4 -1.606 -9.911 0.209 30 HD2 PRO 4 HD2 PRO 4 1.047 -8.545 0.061 31 HD3 PRO 4 HD3 PRO 4 0.644 -10.173 0.643 32 H GLU 5 H GLU 5 -1.484 -8.993 -4.597 33 HA GLU 5 HA GLU 5 0.698 -7.234 -5.490 34 HB2 GLU 5 HB2 GLU 5 -0.437 -9.567 -6.766 35 HB3 GLU 5 HB3 GLU 5 -0.604 -8.145 -7.786 36 HG2 GLU 5 HG2 GLU 5 1.913 -7.786 -7.199 37 HG3 GLU 5 HG3 GLU 5 1.862 -9.508 -6.823 38 H SER 6 H SER 6 -2.575 -8.024 -6.526 39 HA SER 6 HA SER 6 -3.141 -5.273 -7.161 40 HB2 SER 6 HB2 SER 6 -4.444 -7.882 -7.574 41 HB3 SER 6 HB3 SER 6 -5.564 -6.549 -7.295 42 HG SER 6 HG SER 6 -5.222 -6.413 -9.415 43 H ILE 7 H ILE 7 -5.301 -4.328 -6.314 44 HA ILE 7 HA ILE 7 -5.463 -4.854 -3.416 45 HB ILE 7 HB ILE 7 -5.983 -2.193 -4.731 46 HG12 ILE 7 HG12 ILE 7 -3.659 -2.640 -5.083 47 HG13 ILE 7 HG13 ILE 7 -3.770 -1.536 -3.716 48 HG21 ILE 7 HG21 ILE 7 -6.645 -3.170 -2.216 49 HG22 ILE 7 HG22 ILE 7 -6.634 -1.482 -2.726 50 HG23 ILE 7 HG23 ILE 7 -5.213 -2.176 -1.945 51 HD11 ILE 7 HD11 ILE 7 -2.298 -2.981 -2.824 52 HD12 ILE 7 HD12 ILE 7 -2.834 -4.323 -3.835 53 HD13 ILE 7 HD13 ILE 7 -3.762 -3.870 -2.407 54 H ARG 8 H ARG 8 -7.114 -6.419 -4.117 55 HA ARG 8 HA ARG 8 -9.611 -5.322 -5.103 56 HB2 ARG 8 HB2 ARG 8 -8.389 -7.784 -5.334 57 HB3 ARG 8 HB3 ARG 8 -9.655 -8.090 -4.153 58 HG2 ARG 8 HG2 ARG 8 -10.030 -6.937 -6.909 59 HG3 ARG 8 HG3 ARG 8 -10.442 -8.572 -6.387 60 HD2 ARG 8 HD2 ARG 8 -12.172 -7.798 -4.988 61 HD3 ARG 8 HD3 ARG 8 -11.605 -6.131 -5.077 62 HE ARG 8 HE ARG 8 -12.761 -5.878 -7.035 63 HH11 ARG 8 HH11 ARG 8 -12.478 -9.283 -6.325 64 HH12 ARG 8 HH12 ARG 8 -13.546 -9.765 -7.599 65 HH21 ARG 8 HH21 ARG 8 -14.166 -6.510 -8.712 66 HH22 ARG 8 HH22 ARG 8 -14.505 -8.192 -8.955 67 H PHE 9 H PHE 9 -10.418 -4.015 -3.491 68 HA PHE 9 HA PHE 9 -11.191 -5.404 -1.011 69 HB2 PHE 9 HB2 PHE 9 -11.084 -3.185 0.125 70 HB3 PHE 9 HB3 PHE 9 -9.521 -3.767 -0.433 71 HD1 PHE 9 HD1 PHE 9 -8.569 -2.813 -2.561 72 HD2 PHE 9 HD2 PHE 9 -11.931 -1.122 -0.576 73 HE1 PHE 9 HE1 PHE 9 -8.210 -0.697 -3.765 74 HE2 PHE 9 HE2 PHE 9 -11.579 0.997 -1.776 75 HZ PHE 9 HZ PHE 9 -9.717 1.212 -3.373 76 H GLY 10 H GLY 10 -13.242 -5.964 -1.596 77 HA2 GLY 10 HA2 GLY 10 -15.518 -5.626 -1.745 78 HA3 GLY 10 HA3 GLY 10 -15.229 -3.909 -1.503 79 HA PRO 11 HA PRO 11 -16.763 -4.321 -5.826 80 HB2 PRO 11 HB2 PRO 11 -17.915 -1.848 -5.871 81 HB3 PRO 11 HB3 PRO 11 -18.734 -3.295 -5.271 82 HG2 PRO 11 HG2 PRO 11 -17.345 -1.130 -3.740 83 HG3 PRO 11 HG3 PRO 11 -18.883 -1.941 -3.388 84 HD2 PRO 11 HD2 PRO 11 -16.592 -2.590 -2.118 85 HD3 PRO 11 HD3 PRO 11 -17.843 -3.796 -2.486 86 H ASN 12 H ASN 12 -14.666 -2.147 -4.190 87 HA ASN 12 HA ASN 12 -13.903 -0.721 -6.608 88 HB2 ASN 12 HB2 ASN 12 -13.153 -0.496 -3.706 89 HB3 ASN 12 HB3 ASN 12 -12.200 0.312 -4.947 90 HD21 ASN 12 HD21 ASN 12 -12.711 2.367 -4.338 91 HD22 ASN 12 HD22 ASN 12 -14.294 3.040 -4.496 92 H VAL 13 H VAL 13 -12.018 -0.992 -7.709 93 HA VAL 13 HA VAL 13 -10.172 -3.093 -6.773 94 HB VAL 13 HB VAL 13 -10.890 -2.598 -9.665 95 HG11 VAL 13 HG11 VAL 13 -8.666 -3.513 -9.333 96 HG12 VAL 13 HG12 VAL 13 -9.729 -4.729 -10.039 97 HG13 VAL 13 HG13 VAL 13 -9.325 -4.801 -8.324 98 HG21 VAL 13 HG21 VAL 13 -11.749 -5.157 -8.853 99 HG22 VAL 13 HG22 VAL 13 -12.739 -3.792 -9.366 100 HG23 VAL 13 HG23 VAL 13 -12.360 -4.013 -7.658 101 H PHE 14 H PHE 14 -8.138 -2.370 -6.544 102 HA PHE 14 HA PHE 14 -7.296 -0.066 -8.178 103 HB2 PHE 14 HB2 PHE 14 -7.706 0.740 -5.948 104 HB3 PHE 14 HB3 PHE 14 -6.786 -0.579 -5.246 105 HD1 PHE 14 HD1 PHE 14 -4.341 -0.608 -5.410 106 HD2 PHE 14 HD2 PHE 14 -6.626 2.698 -6.795 107 HE1 PHE 14 HE1 PHE 14 -2.320 0.791 -5.393 108 HE2 PHE 14 HE2 PHE 14 -4.613 4.104 -6.778 109 HZ PHE 14 HZ PHE 14 -2.460 3.150 -6.073 110 H TYR 15 H TYR 15 -5.245 -0.100 -9.000 111 HA TYR 15 HA TYR 15 -3.817 -2.648 -8.735 112 HB2 TYR 15 HB2 TYR 15 -3.796 -0.517 -10.869 113 HB3 TYR 15 HB3 TYR 15 -2.610 -1.818 -10.821 114 HD1 TYR 15 HD1 TYR 15 -3.255 -4.109 -11.317 115 HD2 TYR 15 HD2 TYR 15 -6.115 -0.961 -11.443 116 HE1 TYR 15 HE1 TYR 15 -4.810 -5.579 -12.528 117 HE2 TYR 15 HE2 TYR 15 -7.679 -2.423 -12.653 118 HH TYR 15 HH TYR 15 -7.636 -4.414 -14.046 119 H VAL 16 H VAL 16 -1.688 -2.760 -8.152 120 HA VAL 16 HA VAL 16 -0.668 -0.551 -6.619 121 HB VAL 16 HB VAL 16 1.291 -2.102 -6.227 122 HG11 VAL 16 HG11 VAL 16 -0.637 -1.891 -4.696 123 HG12 VAL 16 HG12 VAL 16 0.076 -3.504 -4.683 124 HG13 VAL 16 HG13 VAL 16 -1.430 -3.212 -5.553 125 HG21 VAL 16 HG21 VAL 16 0.894 -3.387 -8.362 126 HG22 VAL 16 HG22 VAL 16 -0.455 -4.171 -7.540 127 HG23 VAL 16 HG23 VAL 16 1.186 -4.363 -6.922 128 H LEU 17 H LEU 17 -0.511 -1.303 -9.870 129 HA LEU 17 HA LEU 17 2.084 0.061 -10.163 130 HB2 LEU 17 HB2 LEU 17 0.786 -1.636 -12.277 131 HB3 LEU 17 HB3 LEU 17 2.451 -1.094 -12.193 132 HG LEU 17 HG LEU 17 2.022 -2.627 -9.868 133 HD11 LEU 17 HD11 LEU 17 0.839 -4.465 -10.387 134 HD12 LEU 17 HD12 LEU 17 1.382 -4.470 -12.065 135 HD13 LEU 17 HD13 LEU 17 0.069 -3.403 -11.566 136 HD21 LEU 17 HD21 LEU 17 3.482 -3.133 -12.450 137 HD22 LEU 17 HD22 LEU 17 3.598 -4.196 -11.049 138 HD23 LEU 17 HD23 LEU 17 4.138 -2.522 -10.932 139 H LYS 18 H LYS 18 -1.198 -0.205 -11.462 140 HA LYS 18 HA LYS 18 -0.853 2.026 -13.244 141 HB2 LYS 18 HB2 LYS 18 -3.413 0.671 -12.383 142 HB3 LYS 18 HB3 LYS 18 -3.203 1.727 -13.772 143 HG2 LYS 18 HG2 LYS 18 -1.626 0.071 -14.730 144 HG3 LYS 18 HG3 LYS 18 -1.996 -1.002 -13.379 145 HD2 LYS 18 HD2 LYS 18 -4.220 -1.288 -14.072 146 HD3 LYS 18 HD3 LYS 18 -4.155 0.113 -15.143 147 HE2 LYS 18 HE2 LYS 18 -4.075 -1.805 -16.532 148 HE3 LYS 18 HE3 LYS 18 -2.443 -1.139 -16.497 149 HZ1 LYS 18 HZ1 LYS 18 -2.597 -2.951 -14.408 150 HZ2 LYS 18 HZ2 LYS 18 -1.744 -3.127 -15.858 151 HZ3 LYS 18 HZ3 LYS 18 -3.326 -3.713 -15.732 152 H LEU 19 H LEU 19 -1.896 1.573 -9.967 153 HA LEU 19 HA LEU 19 -2.553 3.019 -8.344 154 HB2 LEU 19 HB2 LEU 19 -1.255 4.936 -10.267 155 HB3 LEU 19 HB3 LEU 19 -1.927 5.463 -8.741 156 HG LEU 19 HG LEU 19 0.255 5.224 -8.139 157 HD11 LEU 19 HD11 LEU 19 0.631 3.099 -6.975 158 HD12 LEU 19 HD12 LEU 19 -0.771 2.414 -7.797 159 HD13 LEU 19 HD13 LEU 19 -0.975 3.755 -6.672 160 HD21 LEU 19 HD21 LEU 19 1.862 3.895 -9.153 161 HD22 LEU 19 HD22 LEU 19 0.788 4.348 -10.477 162 HD23 LEU 19 HD23 LEU 19 0.670 2.743 -9.754 163 H THR 20 H THR 20 -4.572 2.214 -10.031 164 HA THR 20 HA THR 20 -6.296 4.588 -9.999 165 HB THR 20 HB THR 20 -6.443 2.576 -12.236 166 HG1 THR 20 HG1 THR 20 -4.787 3.480 -13.112 167 HG21 THR 20 HG21 THR 20 -7.183 5.359 -12.714 168 HG22 THR 20 HG22 THR 20 -8.200 4.526 -11.539 169 HG23 THR 20 HG23 THR 20 -8.006 3.866 -13.163 170 H VAL 21 H VAL 21 -7.967 4.205 -8.713 171 HA VAL 21 HA VAL 21 -8.866 1.435 -8.358 172 HB VAL 21 HB VAL 21 -8.228 2.501 -6.274 173 HG11 VAL 21 HG11 VAL 21 -9.166 4.478 -5.426 174 HG12 VAL 21 HG12 VAL 21 -10.421 4.509 -6.665 175 HG13 VAL 21 HG13 VAL 21 -8.744 4.836 -7.100 176 HG21 VAL 21 HG21 VAL 21 -10.913 2.586 -5.485 177 HG22 VAL 21 HG22 VAL 21 -9.808 1.215 -5.397 178 HG23 VAL 21 HG23 VAL 21 -10.834 1.429 -6.814 179 H GLU 22 H GLU 22 -10.577 0.866 -9.506 180 HA GLU 22 HA GLU 22 -12.348 2.802 -10.663 181 HB2 GLU 22 HB2 GLU 22 -11.633 0.165 -11.229 182 HB3 GLU 22 HB3 GLU 22 -13.323 0.065 -10.752 183 HG2 GLU 22 HG2 GLU 22 -14.048 1.263 -12.547 184 HG3 GLU 22 HG3 GLU 22 -12.547 2.177 -12.685 185 H THR 23 H THR 23 -14.045 3.679 -9.710 186 HA THR 23 HA THR 23 -15.158 2.395 -7.323 187 HB THR 23 HB THR 23 -16.340 4.716 -7.174 188 HG1 THR 23 HG1 THR 23 -15.853 6.011 -8.727 189 HG21 THR 23 HG21 THR 23 -13.570 4.000 -6.519 190 HG22 THR 23 HG22 THR 23 -14.855 4.645 -5.498 191 HG23 THR 23 HG23 THR 23 -13.931 5.726 -6.542 192 HA PRO 24 HA PRO 24 -19.109 1.228 -8.871 193 HB2 PRO 24 HB2 PRO 24 -20.327 3.396 -7.216 194 HB3 PRO 24 HB3 PRO 24 -20.763 1.688 -7.323 195 HG2 PRO 24 HG2 PRO 24 -19.407 2.591 -5.236 196 HG3 PRO 24 HG3 PRO 24 -19.005 1.022 -5.961 197 HD2 PRO 24 HD2 PRO 24 -17.574 3.628 -6.166 198 HD3 PRO 24 HD3 PRO 24 -16.928 1.980 -6.119 199 H GLU 25 H GLU 25 -18.717 4.752 -8.608 200 HA GLU 25 HA GLU 25 -20.595 5.323 -10.688 201 HB2 GLU 25 HB2 GLU 25 -19.821 6.846 -8.746 202 HB3 GLU 25 HB3 GLU 25 -18.441 7.210 -9.773 203 HG2 GLU 25 HG2 GLU 25 -20.172 8.896 -9.994 204 HG3 GLU 25 HG3 GLU 25 -19.931 8.031 -11.511 205 H GLY 26 H GLY 26 -17.046 5.692 -10.509 206 HA2 GLY 26 HA2 GLY 26 -16.825 4.817 -13.274 207 HA3 GLY 26 HA3 GLY 26 -16.355 6.482 -12.966 208 H SER 27 H SER 27 -14.330 6.878 -12.308 209 HA SER 27 HA SER 27 -12.784 4.728 -11.068 210 HB2 SER 27 HB2 SER 27 -12.430 4.753 -13.599 211 HB3 SER 27 HB3 SER 27 -11.633 6.309 -13.367 212 HG SER 27 HG SER 27 -9.937 5.295 -12.668 213 H VAL 28 H VAL 28 -10.584 5.585 -10.349 214 HA VAL 28 HA VAL 28 -10.699 8.429 -9.638 215 HB VAL 28 HB VAL 28 -10.107 6.229 -7.656 216 HG11 VAL 28 HG11 VAL 28 -10.116 8.070 -6.004 217 HG12 VAL 28 HG12 VAL 28 -10.237 9.222 -7.334 218 HG13 VAL 28 HG13 VAL 28 -8.808 8.199 -7.180 219 HG21 VAL 28 HG21 VAL 28 -12.484 6.337 -8.219 220 HG22 VAL 28 HG22 VAL 28 -12.495 8.061 -7.844 221 HG23 VAL 28 HG23 VAL 28 -12.189 6.883 -6.568 222 H HIS 29 H HIS 29 -8.753 9.452 -9.589 223 HA HIS 29 HA HIS 29 -6.379 7.801 -10.158 224 HB2 HIS 29 HB2 HIS 29 -7.295 9.463 -11.934 225 HB3 HIS 29 HB3 HIS 29 -6.593 10.704 -10.902 226 HD1 HIS 29 HD1 HIS 29 -5.452 7.499 -12.614 227 HD2 HIS 29 HD2 HIS 29 -4.009 11.233 -11.500 228 HE1 HIS 29 HE1 HIS 29 -3.108 7.611 -13.518 229 HE2 HIS 29 HE2 HIS 29 -2.234 9.857 -12.782 230 H LEU 30 H LEU 30 -4.658 7.969 -8.851 231 HA LEU 30 HA LEU 30 -4.505 10.247 -7.008 232 HB2 LEU 30 HB2 LEU 30 -3.734 8.579 -5.241 233 HB3 LEU 30 HB3 LEU 30 -5.449 8.643 -5.596 234 HG LEU 30 HG LEU 30 -5.306 6.611 -6.908 235 HD11 LEU 30 HD11 LEU 30 -2.369 6.956 -6.473 236 HD12 LEU 30 HD12 LEU 30 -3.250 6.619 -7.964 237 HD13 LEU 30 HD13 LEU 30 -3.055 5.355 -6.750 238 HD21 LEU 30 HD21 LEU 30 -4.261 5.113 -5.024 239 HD22 LEU 30 HD22 LEU 30 -5.760 6.001 -4.748 240 HD23 LEU 30 HD23 LEU 30 -4.234 6.634 -4.131 241 H THR 31 H THR 31 -2.354 10.470 -5.998 242 HA THR 31 HA THR 31 -0.303 10.151 -7.967 243 HB THR 31 HB THR 31 0.188 10.969 -5.116 244 HG1 THR 31 HG1 THR 31 -0.806 12.667 -7.154 245 HG21 THR 31 HG21 THR 31 1.338 12.021 -7.687 246 HG22 THR 31 HG22 THR 31 2.112 10.822 -6.651 247 HG23 THR 31 HG23 THR 31 1.821 12.454 -6.047 248 HA PRO 32 HA PRO 32 1.036 6.104 -6.713 249 HB2 PRO 32 HB2 PRO 32 3.567 6.224 -7.784 250 HB3 PRO 32 HB3 PRO 32 2.113 5.836 -8.708 251 HG2 PRO 32 HG2 PRO 32 3.563 8.440 -8.458 252 HG3 PRO 32 HG3 PRO 32 2.840 7.693 -9.895 253 HD2 PRO 32 HD2 PRO 32 1.614 9.685 -8.577 254 HD3 PRO 32 HD3 PRO 32 0.696 8.355 -9.316 255 H SER 33 H SER 33 2.533 9.038 -5.769 256 HA SER 33 HA SER 33 4.537 7.875 -4.105 257 HB2 SER 33 HB2 SER 33 3.371 10.650 -3.894 258 HB3 SER 33 HB3 SER 33 4.941 10.107 -3.306 259 HG SER 33 HG SER 33 5.515 9.730 -5.511 260 H GLU 34 H GLU 34 1.561 9.612 -3.376 261 HA GLU 34 HA GLU 34 1.571 8.744 -0.653 262 HB2 GLU 34 HB2 GLU 34 -0.716 9.777 -0.581 263 HB3 GLU 34 HB3 GLU 34 0.554 10.867 -1.115 264 HG2 GLU 34 HG2 GLU 34 -0.372 9.760 -3.464 265 HG3 GLU 34 HG3 GLU 34 -1.828 9.965 -2.494 266 H SER 35 H SER 35 0.317 7.536 -3.636 267 HA SER 35 HA SER 35 -1.377 5.613 -2.249 268 HB2 SER 35 HB2 SER 35 -2.204 4.977 -4.377 269 HB3 SER 35 HB3 SER 35 -2.007 6.725 -4.479 270 HG SER 35 HG SER 35 -0.078 4.852 -5.384 271 H GLY 36 H GLY 36 1.821 6.034 -3.095 272 HA2 GLY 36 HA2 GLY 36 2.471 3.301 -3.688 273 HA3 GLY 36 HA3 GLY 36 3.608 4.607 -3.408 274 H ILE 37 H ILE 37 2.260 5.317 -0.859 275 HA ILE 37 HA ILE 37 3.819 3.641 0.832 276 HB ILE 37 HB ILE 37 3.509 5.906 1.528 277 HG12 ILE 37 HG12 ILE 37 1.794 4.321 3.432 278 HG13 ILE 37 HG13 ILE 37 3.516 4.000 3.255 279 HG21 ILE 37 HG21 ILE 37 1.562 6.733 0.687 280 HG22 ILE 37 HG22 ILE 37 1.072 6.471 2.360 281 HG23 ILE 37 HG23 ILE 37 0.631 5.300 1.120 282 HD11 ILE 37 HD11 ILE 37 4.119 5.998 4.210 283 HD12 ILE 37 HD12 ILE 37 2.667 5.583 5.121 284 HD13 ILE 37 HD13 ILE 37 2.583 6.771 3.820 285 H LEU 38 H LEU 38 0.435 3.767 -0.023 286 HA LEU 38 HA LEU 38 -0.389 1.834 1.922 287 HB2 LEU 38 HB2 LEU 38 -2.520 1.977 1.005 288 HB3 LEU 38 HB3 LEU 38 -1.857 3.570 0.718 289 HG LEU 38 HG LEU 38 -1.199 2.421 -1.613 290 HD11 LEU 38 HD11 LEU 38 -2.160 0.448 -1.920 291 HD12 LEU 38 HD12 LEU 38 -3.727 1.255 -1.870 292 HD13 LEU 38 HD13 LEU 38 -3.035 0.579 -0.395 293 HD21 LEU 38 HD21 LEU 38 -3.981 3.213 -1.715 294 HD22 LEU 38 HD22 LEU 38 -2.558 4.001 -2.397 295 HD23 LEU 38 HD23 LEU 38 -3.023 4.314 -0.726 296 H LYS 39 H LYS 39 0.985 1.768 -1.221 297 HA LYS 39 HA LYS 39 0.242 -0.879 -1.930 298 HB2 LYS 39 HB2 LYS 39 1.005 0.950 -3.510 299 HB3 LYS 39 HB3 LYS 39 2.637 0.659 -2.926 300 HG2 LYS 39 HG2 LYS 39 1.238 -1.748 -3.821 301 HG3 LYS 39 HG3 LYS 39 1.502 -0.542 -5.082 302 HD2 LYS 39 HD2 LYS 39 3.835 -0.991 -3.378 303 HD3 LYS 39 HD3 LYS 39 3.324 -2.424 -4.270 304 HE2 LYS 39 HE2 LYS 39 3.210 -0.240 -6.061 305 HE3 LYS 39 HE3 LYS 39 4.749 -0.132 -5.208 306 HZ1 LYS 39 HZ1 LYS 39 4.836 -2.665 -5.768 307 HZ2 LYS 39 HZ2 LYS 39 5.292 -1.516 -6.923 308 HZ3 LYS 39 HZ3 LYS 39 3.762 -2.232 -7.002 309 H ARG 40 H ARG 40 2.869 0.558 -0.155 310 HA ARG 40 HA ARG 40 4.475 -1.807 -0.093 311 HB2 ARG 40 HB2 ARG 40 4.703 0.915 0.794 312 HB3 ARG 40 HB3 ARG 40 5.144 -0.167 2.107 313 HG2 ARG 40 HG2 ARG 40 7.166 0.027 1.125 314 HG3 ARG 40 HG3 ARG 40 6.546 -1.321 0.173 315 HD2 ARG 40 HD2 ARG 40 5.635 1.009 -1.097 316 HD3 ARG 40 HD3 ARG 40 7.320 1.314 -0.677 317 HE ARG 40 HE ARG 40 7.372 -1.161 -1.789 318 HH11 ARG 40 HH11 ARG 40 6.145 1.933 -2.841 319 HH12 ARG 40 HH12 ARG 40 6.406 1.604 -4.521 320 HH21 ARG 40 HH21 ARG 40 7.715 -1.593 -3.997 321 HH22 ARG 40 HH22 ARG 40 7.297 -0.397 -5.178 322 H LEU 41 H LEU 41 2.125 -0.337 2.033 323 HA LEU 41 HA LEU 41 2.491 -2.217 4.151 324 HB2 LEU 41 HB2 LEU 41 0.312 -0.229 3.537 325 HB3 LEU 41 HB3 LEU 41 0.256 -1.286 4.935 326 HG LEU 41 HG LEU 41 2.323 0.839 4.369 327 HD11 LEU 41 HD11 LEU 41 -0.117 0.687 6.017 328 HD12 LEU 41 HD12 LEU 41 0.669 2.078 5.269 329 HD13 LEU 41 HD13 LEU 41 1.295 1.419 6.782 330 HD21 LEU 41 HD21 LEU 41 2.674 -0.017 6.963 331 HD22 LEU 41 HD22 LEU 41 3.705 -0.417 5.590 332 HD23 LEU 41 HD23 LEU 41 2.415 -1.518 6.074 333 H LEU 42 H LEU 42 0.791 -2.225 1.176 334 HA LEU 42 HA LEU 42 -1.141 -4.211 1.911 335 HB2 LEU 42 HB2 LEU 42 -0.450 -2.668 -0.472 336 HB3 LEU 42 HB3 LEU 42 -0.923 -4.316 -0.840 337 HG LEU 42 HG LEU 42 -2.790 -2.666 -0.933 338 HD11 LEU 42 HD11 LEU 42 -3.892 -4.247 1.151 339 HD12 LEU 42 HD12 LEU 42 -2.730 -5.235 0.266 340 HD13 LEU 42 HD13 LEU 42 -4.055 -4.451 -0.592 341 HD21 LEU 42 HD21 LEU 42 -3.391 -2.495 1.829 342 HD22 LEU 42 HD22 LEU 42 -3.061 -1.186 0.694 343 HD23 LEU 42 HD23 LEU 42 -1.739 -1.919 1.603 344 H ILE 43 H ILE 43 2.119 -4.188 0.735 345 HA ILE 43 HA ILE 43 2.191 -6.854 -0.249 346 HB ILE 43 HB ILE 43 4.528 -5.322 0.892 347 HG12 ILE 43 HG12 ILE 43 3.503 -3.882 -0.731 348 HG13 ILE 43 HG13 ILE 43 4.923 -4.601 -1.477 349 HG21 ILE 43 HG21 ILE 43 5.880 -6.705 -0.521 350 HG22 ILE 43 HG22 ILE 43 4.451 -7.426 -1.263 351 HG23 ILE 43 HG23 ILE 43 4.824 -7.749 0.430 352 HD11 ILE 43 HD11 ILE 43 3.237 -4.651 -3.107 353 HD12 ILE 43 HD12 ILE 43 2.038 -5.257 -1.964 354 HD13 ILE 43 HD13 ILE 43 3.356 -6.302 -2.496 355 H ASN 44 H ASN 44 2.524 -5.404 2.907 356 HA ASN 44 HA ASN 44 3.331 -7.942 4.092 357 HB2 ASN 44 HB2 ASN 44 2.980 -5.223 5.358 358 HB3 ASN 44 HB3 ASN 44 3.626 -6.650 6.163 359 HD21 ASN 44 HD21 ASN 44 5.695 -7.328 5.710 360 HD22 ASN 44 HD22 ASN 44 6.823 -6.365 4.825 361 H LYS 45 H LYS 45 0.750 -5.577 4.257 362 HA LYS 45 HA LYS 45 -1.391 -5.661 5.017 363 HB2 LYS 45 HB2 LYS 45 -0.901 -8.492 4.157 364 HB3 LYS 45 HB3 LYS 45 -2.428 -8.041 4.901 365 HG2 LYS 45 HG2 LYS 45 -1.572 -6.278 2.726 366 HG3 LYS 45 HG3 LYS 45 -1.907 -7.942 2.246 367 HD2 LYS 45 HD2 LYS 45 -3.967 -6.862 2.021 368 HD3 LYS 45 HD3 LYS 45 -4.083 -7.685 3.578 369 HE2 LYS 45 HE2 LYS 45 -2.964 -5.004 3.789 370 HE3 LYS 45 HE3 LYS 45 -4.589 -5.016 3.104 371 HZ1 LYS 45 HZ1 LYS 45 -5.414 -6.148 5.006 372 HZ2 LYS 45 HZ2 LYS 45 -4.502 -4.840 5.568 373 HZ3 LYS 45 HZ3 LYS 45 -3.859 -6.403 5.623 374 H GLY 46 H GLY 46 -1.007 -5.035 7.136 375 HA2 GLY 46 HA2 GLY 46 -1.276 -5.260 9.410 376 HA3 GLY 46 HA3 GLY 46 -1.771 -6.921 9.129 377 H GLN 47 H GLN 47 0.798 -4.813 10.019 378 HA GLN 47 HA GLN 47 2.266 -6.919 11.232 379 HB2 GLN 47 HB2 GLN 47 2.996 -6.116 8.511 380 HB3 GLN 47 HB3 GLN 47 4.335 -6.027 9.648 381 HG2 GLN 47 HG2 GLN 47 3.065 -8.468 10.158 382 HG3 GLN 47 HG3 GLN 47 3.141 -8.320 8.403 383 HE21 GLN 47 HE21 GLN 47 4.537 -10.290 9.050 384 HE22 GLN 47 HE22 GLN 47 6.228 -9.972 9.204 385 H LEU 48 H LEU 48 4.246 -6.116 12.306 386 HA LEU 48 HA LEU 48 3.790 -3.438 13.300 387 HB2 LEU 48 HB2 LEU 48 4.768 -5.783 14.401 388 HB3 LEU 48 HB3 LEU 48 6.197 -4.778 14.254 389 HG LEU 48 HG LEU 48 5.165 -4.553 16.458 390 HD11 LEU 48 HD11 LEU 48 4.533 -1.922 15.934 391 HD12 LEU 48 HD12 LEU 48 5.617 -2.354 14.612 392 HD13 LEU 48 HD13 LEU 48 6.141 -2.558 16.284 393 HD21 LEU 48 HD21 LEU 48 2.986 -3.816 16.822 394 HD22 LEU 48 HD22 LEU 48 2.818 -4.964 15.493 395 HD23 LEU 48 HD23 LEU 48 2.805 -3.230 15.169 396 H CYS 49 H CYS 49 4.395 -1.974 11.755 397 HA CYS 49 HA CYS 49 7.272 -1.858 11.178 398 HB2 CYS 49 HB2 CYS 49 5.050 -1.442 9.171 399 HB3 CYS 49 HB3 CYS 49 6.739 -1.044 8.879 400 HG CYS 49 HG CYS 49 6.552 -3.348 7.897 401 H LEU 50 H LEU 50 7.723 -0.203 12.520 402 HA LEU 50 HA LEU 50 6.183 2.003 13.131 403 HB2 LEU 50 HB2 LEU 50 9.162 2.212 12.911 404 HB3 LEU 50 HB3 LEU 50 8.095 2.979 14.068 405 HG LEU 50 HG LEU 50 9.026 1.401 15.420 406 HD11 LEU 50 HD11 LEU 50 6.460 0.862 14.759 407 HD12 LEU 50 HD12 LEU 50 7.359 0.024 16.023 408 HD13 LEU 50 HD13 LEU 50 7.224 -0.689 14.415 409 HD21 LEU 50 HD21 LEU 50 9.286 -1.037 14.196 410 HD22 LEU 50 HD22 LEU 50 10.567 0.160 14.390 411 HD23 LEU 50 HD23 LEU 50 9.642 0.093 12.890 412 H ARG 51 H ARG 51 6.395 4.253 12.491 413 HA ARG 51 HA ARG 51 6.059 4.686 9.779 414 HB2 ARG 51 HB2 ARG 51 6.415 7.100 10.290 415 HB3 ARG 51 HB3 ARG 51 5.267 6.310 11.362 416 HG2 ARG 51 HG2 ARG 51 7.117 6.054 13.022 417 HG3 ARG 51 HG3 ARG 51 8.118 7.052 11.965 418 HD2 ARG 51 HD2 ARG 51 5.912 8.594 12.139 419 HD3 ARG 51 HD3 ARG 51 5.864 7.802 13.713 420 HE ARG 51 HE ARG 51 8.458 8.811 13.155 421 HH11 ARG 51 HH11 ARG 51 5.259 9.803 14.137 422 HH12 ARG 51 HH12 ARG 51 5.819 11.200 14.992 423 HH21 ARG 51 HH21 ARG 51 9.196 10.648 14.279 424 HH22 ARG 51 HH22 ARG 51 8.055 11.680 15.073 425 H LYS 52 H LYS 52 8.934 5.037 11.747 426 HA LYS 52 HA LYS 52 10.652 6.076 9.798 427 HB2 LYS 52 HB2 LYS 52 12.487 5.134 11.214 428 HB3 LYS 52 HB3 LYS 52 11.327 6.112 12.103 429 HG2 LYS 52 HG2 LYS 52 10.545 3.335 12.079 430 HG3 LYS 52 HG3 LYS 52 12.176 3.539 12.717 431 HD2 LYS 52 HD2 LYS 52 10.092 5.418 13.679 432 HD3 LYS 52 HD3 LYS 52 9.999 3.749 14.244 433 HE2 LYS 52 HE2 LYS 52 12.123 3.857 15.246 434 HE3 LYS 52 HE3 LYS 52 12.549 5.330 14.376 435 HZ1 LYS 52 HZ1 LYS 52 10.338 5.241 16.343 436 HZ2 LYS 52 HZ2 LYS 52 11.121 6.601 15.713 437 HZ3 LYS 52 HZ3 LYS 52 11.933 5.584 16.793 438 H HIS 53 H HIS 53 9.313 2.985 10.170 439 HA HIS 53 HA HIS 53 11.289 1.672 8.506 440 HB2 HIS 53 HB2 HIS 53 10.089 0.643 10.513 441 HB3 HIS 53 HB3 HIS 53 8.676 0.564 9.472 442 HD1 HIS 53 HD1 HIS 53 8.564 -1.327 7.790 443 HD2 HIS 53 HD2 HIS 53 12.242 -1.071 9.707 444 HE1 HIS 53 HE1 HIS 53 9.803 -3.419 7.149 445 HE2 HIS 53 HE2 HIS 53 11.996 -3.279 8.382 446 H LEU 54 H LEU 54 8.074 2.971 8.377 447 HA LEU 54 HA LEU 54 7.402 1.906 5.827 448 HB2 LEU 54 HB2 LEU 54 6.151 3.575 7.830 449 HB3 LEU 54 HB3 LEU 54 5.872 4.214 6.221 450 HG LEU 54 HG LEU 54 5.410 1.353 6.300 451 HD11 LEU 54 HD11 LEU 54 4.209 3.028 8.431 452 HD12 LEU 54 HD12 LEU 54 4.620 1.313 8.430 453 HD13 LEU 54 HD13 LEU 54 3.162 1.871 7.610 454 HD21 LEU 54 HD21 LEU 54 3.049 2.478 5.666 455 HD22 LEU 54 HD22 LEU 54 4.373 2.269 4.520 456 HD23 LEU 54 HD23 LEU 54 4.136 3.823 5.319 457 H LEU 55 H LEU 55 8.870 4.858 6.984 458 HA LEU 55 HA LEU 55 8.803 6.185 4.463 459 HB2 LEU 55 HB2 LEU 55 10.748 7.533 5.512 460 HB3 LEU 55 HB3 LEU 55 9.134 7.698 6.164 461 HG LEU 55 HG LEU 55 10.191 5.686 7.717 462 HD11 LEU 55 HD11 LEU 55 12.376 7.299 6.641 463 HD12 LEU 55 HD12 LEU 55 12.392 5.705 7.397 464 HD13 LEU 55 HD13 LEU 55 12.350 7.156 8.399 465 HD21 LEU 55 HD21 LEU 55 10.699 7.988 9.133 466 HD22 LEU 55 HD22 LEU 55 9.161 7.129 9.060 467 HD23 LEU 55 HD23 LEU 55 9.466 8.485 7.975 468 H GLU 56 H GLU 56 10.995 4.001 6.031 469 HA GLU 56 HA GLU 56 13.197 4.323 4.314 470 HB2 GLU 56 HB2 GLU 56 12.295 2.223 6.224 471 HB3 GLU 56 HB3 GLU 56 13.568 1.811 5.084 472 HG2 GLU 56 HG2 GLU 56 14.495 4.164 6.019 473 HG3 GLU 56 HG3 GLU 56 13.625 3.573 7.433 474 H GLU 57 H GLU 57 10.219 2.578 3.988 475 HA GLU 57 HA GLU 57 11.213 1.130 1.661 476 HB2 GLU 57 HB2 GLU 57 8.932 0.115 1.617 477 HB3 GLU 57 HB3 GLU 57 9.818 -0.167 3.106 478 HG2 GLU 57 HG2 GLU 57 8.541 1.546 4.233 479 HG3 GLU 57 HG3 GLU 57 7.694 1.932 2.735 480 H ILE 58 H ILE 58 9.831 4.109 2.284 481 HA ILE 58 HA ILE 58 8.723 4.280 -0.429 482 HB ILE 58 HB ILE 58 8.385 6.345 1.752 483 HG12 ILE 58 HG12 ILE 58 6.277 4.359 0.921 484 HG13 ILE 58 HG13 ILE 58 7.395 4.003 2.230 485 HG21 ILE 58 HG21 ILE 58 6.412 6.032 -0.411 486 HG22 ILE 58 HG22 ILE 58 8.005 6.602 -0.911 487 HG23 ILE 58 HG23 ILE 58 7.092 7.495 0.304 488 HD11 ILE 58 HD11 ILE 58 6.611 6.052 3.386 489 HD12 ILE 58 HD12 ILE 58 5.347 4.846 3.146 490 HD13 ILE 58 HD13 ILE 58 5.416 6.269 2.107 491 H LYS 59 H LYS 59 11.348 5.139 1.566 492 HA LYS 59 HA LYS 59 12.214 7.367 -0.083 493 HB2 LYS 59 HB2 LYS 59 12.733 6.527 2.566 494 HB3 LYS 59 HB3 LYS 59 14.255 6.391 1.702 495 HG2 LYS 59 HG2 LYS 59 13.941 8.747 0.938 496 HG3 LYS 59 HG3 LYS 59 12.547 8.845 2.016 497 HD2 LYS 59 HD2 LYS 59 13.933 8.425 3.935 498 HD3 LYS 59 HD3 LYS 59 15.333 8.113 2.908 499 HE2 LYS 59 HE2 LYS 59 15.433 10.390 2.221 500 HE3 LYS 59 HE3 LYS 59 13.873 10.745 2.962 501 HZ1 LYS 59 HZ1 LYS 59 16.500 10.520 4.185 502 HZ2 LYS 59 HZ2 LYS 59 15.217 9.867 5.072 503 HZ3 LYS 59 HZ3 LYS 59 15.184 11.494 4.614 504 H ASN 60 H ASN 60 12.717 3.942 0.264 505 HA ASN 60 HA ASN 60 15.066 3.958 -1.426 506 HB2 ASN 60 HB2 ASN 60 13.697 1.983 0.296 507 HB3 ASN 60 HB3 ASN 60 14.471 1.330 -1.144 508 HD21 ASN 60 HD21 ASN 60 15.942 0.224 0.188 509 HD22 ASN 60 HD22 ASN 60 17.268 1.043 0.932 510 H HIS 61 H HIS 61 12.686 4.985 -2.589 511 HA HIS 61 HA HIS 61 12.637 3.508 -5.001 512 HB2 HIS 61 HB2 HIS 61 11.045 2.268 -3.333 513 HB3 HIS 61 HB3 HIS 61 9.947 3.599 -3.681 514 HD1 HIS 61 HD1 HIS 61 11.866 2.865 -6.644 515 HD2 HIS 61 HD2 HIS 61 8.464 1.303 -4.843 516 HE1 HIS 61 HE1 HIS 61 10.706 1.540 -8.437 517 HE2 HIS 61 HE2 HIS 61 8.587 0.710 -7.357 518 H ALA 62 H ALA 62 10.555 5.680 -3.085 519 HA ALA 62 HA ALA 62 11.073 7.968 -4.613 520 HB1 ALA 62 HB1 ALA 62 8.780 6.299 -5.545 521 HB2 ALA 62 HB2 ALA 62 9.973 7.195 -6.484 522 HB3 ALA 62 HB3 ALA 62 8.680 8.056 -5.650 523 H LYS 63 H LYS 63 11.072 9.005 -2.649 524 HA LYS 63 HA LYS 63 8.798 8.839 -0.870 525 HB2 LYS 63 HB2 LYS 63 10.062 10.474 0.498 526 HB3 LYS 63 HB3 LYS 63 11.006 9.044 0.105 527 HG2 LYS 63 HG2 LYS 63 12.250 10.231 -1.549 528 HG3 LYS 63 HG3 LYS 63 11.195 11.638 -1.406 529 HD2 LYS 63 HD2 LYS 63 11.939 11.959 0.903 530 HD3 LYS 63 HD3 LYS 63 12.990 10.549 0.762 531 HE2 LYS 63 HE2 LYS 63 14.083 11.749 -1.193 532 HE3 LYS 63 HE3 LYS 63 13.208 13.186 -0.666 533 HZ1 LYS 63 HZ1 LYS 63 15.531 11.921 0.484 534 HZ2 LYS 63 HZ2 LYS 63 14.352 12.346 1.619 535 HZ3 LYS 63 HZ3 LYS 63 15.004 13.525 0.597 536 H ALA 64 H ALA 64 7.653 9.621 -3.063 537 HA ALA 64 HA ALA 64 6.323 11.191 -4.014 538 HB1 ALA 64 HB1 ALA 64 6.396 13.354 -2.203 539 HB2 ALA 64 HB2 ALA 64 6.455 11.873 -1.249 540 HB3 ALA 64 HB3 ALA 64 5.138 12.133 -2.393 541 H ILE 65 H ILE 65 9.073 11.164 -4.669 542 HA ILE 65 HA ILE 65 10.779 12.431 -5.544 543 HB ILE 65 HB ILE 65 9.267 12.371 -7.395 544 HG12 ILE 65 HG12 ILE 65 9.676 15.158 -7.844 545 HG13 ILE 65 HG13 ILE 65 11.052 14.547 -6.930 546 HG21 ILE 65 HG21 ILE 65 7.875 14.705 -6.101 547 HG22 ILE 65 HG22 ILE 65 7.230 13.088 -6.378 548 HG23 ILE 65 HG23 ILE 65 7.567 14.149 -7.745 549 HD11 ILE 65 HD11 ILE 65 10.050 13.177 -9.397 550 HD12 ILE 65 HD12 ILE 65 11.612 13.006 -8.596 551 HD13 ILE 65 HD13 ILE 65 11.219 14.496 -9.455 552 H VAL 66 H VAL 66 11.360 13.320 -3.426 553 HA VAL 66 HA VAL 66 12.010 15.024 -2.076 554 HB VAL 66 HB VAL 66 11.474 16.598 -4.587 555 HG11 VAL 66 HG11 VAL 66 13.155 18.209 -3.384 556 HG12 VAL 66 HG12 VAL 66 12.509 17.459 -1.924 557 HG13 VAL 66 HG13 VAL 66 11.428 18.300 -3.035 558 HG21 VAL 66 HG21 VAL 66 14.225 16.272 -3.678 559 HG22 VAL 66 HG22 VAL 66 13.521 16.023 -5.275 560 HG23 VAL 66 HG23 VAL 66 13.426 14.747 -4.062 561 H ALA 67 H ALA 67 10.048 14.568 -0.835 562 HA ALA 67 HA ALA 67 8.083 16.761 -0.999 563 HB1 ALA 67 HB1 ALA 67 6.608 15.090 -1.226 564 HB2 ALA 67 HB2 ALA 67 6.847 14.839 0.503 565 HB3 ALA 67 HB3 ALA 67 7.755 13.875 -0.662 566 H ARG 68 H ARG 68 6.864 16.605 1.399 567 HA ARG 68 HA ARG 68 8.830 17.708 3.159 568 HB2 ARG 68 HB2 ARG 68 6.131 18.039 2.845 569 HB3 ARG 68 HB3 ARG 68 6.207 17.071 4.310 570 HG2 ARG 68 HG2 ARG 68 7.864 18.776 5.184 571 HG3 ARG 68 HG3 ARG 68 7.397 19.782 3.810 572 HD2 ARG 68 HD2 ARG 68 5.628 18.770 6.030 573 HD3 ARG 68 HD3 ARG 68 6.088 20.441 5.706 574 HE ARG 68 HE ARG 68 4.063 18.885 4.339 575 HH11 ARG 68 HH11 ARG 68 6.066 21.746 4.290 576 HH12 ARG 68 HH12 ARG 68 5.032 22.600 3.196 577 HH21 ARG 68 HH21 ARG 68 2.706 20.010 2.898 578 HH22 ARG 68 HH22 ARG 68 3.127 21.616 2.406 579 H ASN 69 H ASN 69 6.491 15.131 3.698 580 HA ASN 69 HA ASN 69 8.465 13.321 4.722 581 HB2 ASN 69 HB2 ASN 69 7.351 13.137 6.989 582 HB3 ASN 69 HB3 ASN 69 8.291 14.603 6.727 583 HD21 ASN 69 HD21 ASN 69 7.330 16.196 7.756 584 HD22 ASN 69 HD22 ASN 69 5.641 16.555 7.724 585 H VAL 70 H VAL 70 7.129 11.416 5.907 586 HA VAL 70 HA VAL 70 5.130 10.636 3.936 587 HB VAL 70 HB VAL 70 5.218 8.461 5.502 588 HG11 VAL 70 HG11 VAL 70 6.792 9.332 3.154 589 HG12 VAL 70 HG12 VAL 70 5.650 7.999 3.331 590 HG13 VAL 70 HG13 VAL 70 7.292 7.843 3.957 591 HG21 VAL 70 HG21 VAL 70 7.264 8.046 6.516 592 HG22 VAL 70 HG22 VAL 70 6.929 9.721 6.959 593 HG23 VAL 70 HG23 VAL 70 8.069 9.362 5.660 594 H ASP 71 H ASP 71 5.397 11.537 7.262 595 HA ASP 71 HA ASP 71 3.067 10.546 8.353 596 HB2 ASP 71 HB2 ASP 71 5.014 12.115 9.306 597 HB3 ASP 71 HB3 ASP 71 3.778 13.342 9.049 598 H VAL 72 H VAL 72 3.376 13.874 7.221 599 HA VAL 72 HA VAL 72 0.660 14.442 7.098 600 HB VAL 72 HB VAL 72 2.731 15.581 5.216 601 HG11 VAL 72 HG11 VAL 72 0.037 15.987 5.246 602 HG12 VAL 72 HG12 VAL 72 1.224 17.138 4.635 603 HG13 VAL 72 HG13 VAL 72 0.608 17.296 6.280 604 HG21 VAL 72 HG21 VAL 72 2.600 15.736 8.075 605 HG22 VAL 72 HG22 VAL 72 2.309 17.331 7.379 606 HG23 VAL 72 HG23 VAL 72 3.780 16.446 6.973 607 H HIS 73 H HIS 73 2.683 12.658 4.954 608 HA HIS 73 HA HIS 73 1.025 12.719 2.665 609 HB2 HIS 73 HB2 HIS 73 3.522 11.652 3.307 610 HB3 HIS 73 HB3 HIS 73 2.524 10.245 2.957 611 HD1 HIS 73 HD1 HIS 73 2.574 13.637 1.237 612 HD2 HIS 73 HD2 HIS 73 3.184 9.611 0.408 613 HE1 HIS 73 HE1 HIS 73 2.950 13.512 -1.246 614 HE2 HIS 73 HE2 HIS 73 3.293 11.063 -1.730 615 H ILE 74 H ILE 74 1.054 10.868 5.599 616 HA ILE 74 HA ILE 74 -0.554 8.711 4.847 617 HB ILE 74 HB ILE 74 -0.548 10.064 7.548 618 HG12 ILE 74 HG12 ILE 74 1.732 9.499 6.874 619 HG13 ILE 74 HG13 ILE 74 1.192 8.439 8.168 620 HG21 ILE 74 HG21 ILE 74 -0.868 7.380 7.965 621 HG22 ILE 74 HG22 ILE 74 -1.801 7.648 6.493 622 HG23 ILE 74 HG23 ILE 74 -2.164 8.575 7.948 623 HD11 ILE 74 HD11 ILE 74 2.379 7.642 5.847 624 HD12 ILE 74 HD12 ILE 74 0.669 7.375 5.509 625 HD13 ILE 74 HD13 ILE 74 1.419 6.617 6.913 626 H ALA 75 H ALA 75 -1.342 11.983 5.758 627 HA ALA 75 HA ALA 75 -4.124 11.610 6.089 628 HB1 ALA 75 HB1 ALA 75 -3.170 13.549 7.056 629 HB2 ALA 75 HB2 ALA 75 -4.222 14.111 5.757 630 HB3 ALA 75 HB3 ALA 75 -2.475 14.057 5.516 631 H SER 76 H SER 76 -2.103 12.161 3.330 632 HA SER 76 HA SER 76 -4.197 12.863 1.530 633 HB2 SER 76 HB2 SER 76 -1.313 12.153 1.284 634 HB3 SER 76 HB3 SER 76 -2.317 11.986 -0.157 635 HG SER 76 HG SER 76 -2.063 14.331 1.425 636 H LEU 77 H LEU 77 -3.053 9.911 2.848 637 HA LEU 77 HA LEU 77 -3.940 8.189 0.777 638 HB2 LEU 77 HB2 LEU 77 -3.122 7.823 3.623 639 HB3 LEU 77 HB3 LEU 77 -3.941 6.510 2.800 640 HG LEU 77 HG LEU 77 -1.422 6.400 2.804 641 HD11 LEU 77 HD11 LEU 77 -2.568 6.543 0.032 642 HD12 LEU 77 HD12 LEU 77 -2.990 5.261 1.167 643 HD13 LEU 77 HD13 LEU 77 -1.316 5.466 0.651 644 HD21 LEU 77 HD21 LEU 77 -1.379 8.326 0.556 645 HD22 LEU 77 HD22 LEU 77 -0.125 7.922 1.728 646 HD23 LEU 77 HD23 LEU 77 -1.450 8.988 2.185 647 H ARG 78 H ARG 78 -5.397 9.611 3.593 648 HA ARG 78 HA ARG 78 -7.711 8.032 3.734 649 HB2 ARG 78 HB2 ARG 78 -6.800 9.839 5.370 650 HB3 ARG 78 HB3 ARG 78 -7.735 10.959 4.389 651 HG2 ARG 78 HG2 ARG 78 -9.764 9.991 4.997 652 HG3 ARG 78 HG3 ARG 78 -8.992 8.507 5.560 653 HD2 ARG 78 HD2 ARG 78 -7.948 9.795 7.395 654 HD3 ARG 78 HD3 ARG 78 -8.825 11.226 6.855 655 HE ARG 78 HE ARG 78 -10.765 9.349 7.237 656 HH11 ARG 78 HH11 ARG 78 -8.237 10.699 9.228 657 HH12 ARG 78 HH12 ARG 78 -9.120 10.497 10.704 658 HH21 ARG 78 HH21 ARG 78 -11.928 9.082 9.176 659 HH22 ARG 78 HH22 ARG 78 -11.215 9.578 10.675 660 H LYS 79 H LYS 79 -6.789 10.610 1.620 661 HA LYS 79 HA LYS 79 -9.479 10.927 0.583 662 HB2 LYS 79 HB2 LYS 79 -7.252 12.608 0.775 663 HB3 LYS 79 HB3 LYS 79 -7.451 12.300 -0.944 664 HG2 LYS 79 HG2 LYS 79 -9.279 13.571 -1.077 665 HG3 LYS 79 HG3 LYS 79 -9.955 12.921 0.417 666 HD2 LYS 79 HD2 LYS 79 -7.854 14.414 1.337 667 HD3 LYS 79 HD3 LYS 79 -8.404 15.362 -0.046 668 HE2 LYS 79 HE2 LYS 79 -10.246 14.351 2.111 669 HE3 LYS 79 HE3 LYS 79 -9.471 15.933 2.163 670 HZ1 LYS 79 HZ1 LYS 79 -11.706 15.027 0.575 671 HZ2 LYS 79 HZ2 LYS 79 -10.566 15.931 -0.288 672 HZ3 LYS 79 HZ3 LYS 79 -11.302 16.589 1.086 673 H LYS 80 H LYS 80 -6.334 9.910 -0.592 674 HA LYS 80 HA LYS 80 -7.314 9.149 -3.152 675 HB2 LYS 80 HB2 LYS 80 -4.694 8.384 -1.886 676 HB3 LYS 80 HB3 LYS 80 -5.080 8.384 -3.601 677 HG2 LYS 80 HG2 LYS 80 -5.005 10.839 -1.861 678 HG3 LYS 80 HG3 LYS 80 -3.693 10.302 -2.910 679 HD2 LYS 80 HD2 LYS 80 -4.670 11.683 -4.401 680 HD3 LYS 80 HD3 LYS 80 -5.748 10.312 -4.662 681 HE2 LYS 80 HE2 LYS 80 -7.186 11.313 -2.805 682 HE3 LYS 80 HE3 LYS 80 -6.215 12.771 -3.002 683 HZ1 LYS 80 HZ1 LYS 80 -7.303 11.642 -5.445 684 HZ2 LYS 80 HZ2 LYS 80 -7.185 13.257 -4.957 685 HZ3 LYS 80 HZ3 LYS 80 -8.442 12.287 -4.373 686 H LEU 81 H LEU 81 -6.094 7.319 -0.403 687 HA LEU 81 HA LEU 81 -6.946 4.812 -1.549 688 HB2 LEU 81 HB2 LEU 81 -4.913 4.833 -0.261 689 HB3 LEU 81 HB3 LEU 81 -5.742 5.506 1.127 690 HG LEU 81 HG LEU 81 -6.840 3.467 1.600 691 HD11 LEU 81 HD11 LEU 81 -7.522 2.866 -0.650 692 HD12 LEU 81 HD12 LEU 81 -6.734 1.506 0.147 693 HD13 LEU 81 HD13 LEU 81 -5.859 2.450 -1.060 694 HD21 LEU 81 HD21 LEU 81 -4.475 2.013 0.887 695 HD22 LEU 81 HD22 LEU 81 -5.008 2.569 2.473 696 HD23 LEU 81 HD23 LEU 81 -4.043 3.628 1.446 697 H GLY 82 H GLY 82 -7.971 6.894 1.138 698 HA2 GLY 82 HA2 GLY 82 -10.289 7.161 1.666 699 HA3 GLY 82 HA3 GLY 82 -10.583 5.547 1.040 700 H ALA 83 H ALA 83 -11.639 4.809 2.860 701 HA ALA 83 HA ALA 83 -10.843 5.123 5.503 702 HB1 ALA 83 HB1 ALA 83 -12.512 3.669 6.038 703 HB2 ALA 83 HB2 ALA 83 -12.110 2.556 4.730 704 HB3 ALA 83 HB3 ALA 83 -12.988 4.046 4.382 705 H TYR 84 H TYR 84 -9.507 3.142 3.046 706 HA TYR 84 HA TYR 84 -8.213 1.289 4.820 707 HB2 TYR 84 HB2 TYR 84 -7.876 1.832 1.865 708 HB3 TYR 84 HB3 TYR 84 -7.012 0.568 2.735 709 HD1 TYR 84 HD1 TYR 84 -10.475 1.758 2.020 710 HD2 TYR 84 HD2 TYR 84 -7.949 -1.553 2.889 711 HE1 TYR 84 HE1 TYR 84 -12.367 0.229 1.661 712 HE2 TYR 84 HE2 TYR 84 -9.834 -3.092 2.531 713 HH TYR 84 HH TYR 84 -12.212 -3.114 2.492 714 H GLY 85 H GLY 85 -7.464 4.344 3.317 715 HA2 GLY 85 HA2 GLY 85 -4.658 4.300 3.586 716 HA3 GLY 85 HA3 GLY 85 -5.655 5.748 3.532 717 H SER 86 H SER 86 -7.243 5.067 5.821 718 HA SER 86 HA SER 86 -5.597 6.155 7.863 719 HB2 SER 86 HB2 SER 86 -7.809 5.157 9.174 720 HB3 SER 86 HB3 SER 86 -7.698 6.755 8.437 721 HG SER 86 HG SER 86 -9.504 5.209 7.826 722 H ARG 87 H ARG 87 -6.050 2.997 6.699 723 HA ARG 87 HA ARG 87 -5.948 1.328 8.863 724 HB2 ARG 87 HB2 ARG 87 -6.004 0.523 6.557 725 HB3 ARG 87 HB3 ARG 87 -4.362 1.093 6.301 726 HG2 ARG 87 HG2 ARG 87 -3.974 -0.520 8.422 727 HG3 ARG 87 HG3 ARG 87 -5.337 -1.331 7.650 728 HD2 ARG 87 HD2 ARG 87 -2.801 -0.543 6.225 729 HD3 ARG 87 HD3 ARG 87 -3.100 -2.140 6.902 730 HE ARG 87 HE ARG 87 -4.724 -2.522 5.248 731 HH11 ARG 87 HH11 ARG 87 -3.171 0.590 4.869 732 HH12 ARG 87 HH12 ARG 87 -3.729 0.804 3.246 733 HH21 ARG 87 HH21 ARG 87 -5.452 -2.232 3.117 734 HH22 ARG 87 HH22 ARG 87 -5.021 -0.795 2.251 735 H ILE 88 H ILE 88 -3.447 3.435 7.665 736 HA ILE 88 HA ILE 88 -1.239 2.309 9.006 737 HB ILE 88 HB ILE 88 -1.649 5.226 8.338 738 HG12 ILE 88 HG12 ILE 88 -0.146 3.334 6.577 739 HG13 ILE 88 HG13 ILE 88 -1.903 3.356 6.484 740 HG21 ILE 88 HG21 ILE 88 0.648 3.600 9.245 741 HG22 ILE 88 HG22 ILE 88 0.269 5.296 9.542 742 HG23 ILE 88 HG23 ILE 88 0.967 4.806 7.998 743 HD11 ILE 88 HD11 ILE 88 -1.948 5.344 5.443 744 HD12 ILE 88 HD12 ILE 88 -0.296 4.912 5.003 745 HD13 ILE 88 HD13 ILE 88 -0.593 5.984 6.372 746 H VAL 89 H VAL 89 -1.947 1.762 11.109 747 HA VAL 89 HA VAL 89 -2.883 3.824 12.902 748 HB VAL 89 HB VAL 89 -2.010 1.028 13.627 749 HG11 VAL 89 HG11 VAL 89 -2.234 2.346 15.573 750 HG12 VAL 89 HG12 VAL 89 -3.714 1.395 15.455 751 HG13 VAL 89 HG13 VAL 89 -3.719 3.095 14.986 752 HG21 VAL 89 HG21 VAL 89 -3.801 0.178 12.624 753 HG22 VAL 89 HG22 VAL 89 -4.135 1.764 11.928 754 HG23 VAL 89 HG23 VAL 89 -4.854 1.310 13.472 755 H THR 90 H THR 90 -1.800 4.255 14.976 756 HA THR 90 HA THR 90 1.080 3.815 15.017 757 HB THR 90 HB THR 90 0.837 5.915 13.792 758 HG1 THR 90 HG1 THR 90 1.736 6.252 16.459 759 HG21 THR 90 HG21 THR 90 -1.367 6.433 15.261 760 HG22 THR 90 HG22 THR 90 -0.468 7.642 14.344 761 HG23 THR 90 HG23 THR 90 -0.175 7.449 16.072 762 H LEU 91 H LEU 91 0.798 2.568 16.849 763 HA LEU 91 HA LEU 91 -0.630 3.597 19.135 764 HB2 LEU 91 HB2 LEU 91 0.632 1.065 18.346 765 HB3 LEU 91 HB3 LEU 91 0.769 1.434 20.055 766 HG LEU 91 HG LEU 91 -1.885 1.930 19.596 767 HD11 LEU 91 HD11 LEU 91 -1.843 1.103 17.341 768 HD12 LEU 91 HD12 LEU 91 -2.710 -0.050 18.356 769 HD13 LEU 91 HD13 LEU 91 -1.052 -0.386 17.858 770 HD21 LEU 91 HD21 LEU 91 -0.401 0.335 21.212 771 HD22 LEU 91 HD22 LEU 91 -1.265 -0.864 20.249 772 HD23 LEU 91 HD23 LEU 91 -2.164 0.346 21.163 773 H ARG 92 H ARG 92 0.197 4.521 20.938 774 HA ARG 92 HA ARG 92 2.921 5.471 20.815 775 HB2 ARG 92 HB2 ARG 92 0.485 6.156 22.285 776 HB3 ARG 92 HB3 ARG 92 1.936 6.249 23.273 777 HG2 ARG 92 HG2 ARG 92 1.761 7.573 20.587 778 HG3 ARG 92 HG3 ARG 92 1.201 8.360 22.064 779 HD2 ARG 92 HD2 ARG 92 3.446 8.036 23.043 780 HD3 ARG 92 HD3 ARG 92 3.988 7.350 21.515 781 HE ARG 92 HE ARG 92 3.153 10.146 21.922 782 HH11 ARG 92 HH11 ARG 92 4.915 7.732 20.100 783 HH12 ARG 92 HH12 ARG 92 5.688 8.897 19.081 784 HH21 ARG 92 HH21 ARG 92 4.171 11.664 20.576 785 HH22 ARG 92 HH22 ARG 92 5.267 11.123 19.349 786 H GLY 93 H GLY 93 3.876 3.315 20.956 787 HA2 GLY 93 HA2 GLY 93 5.145 2.750 23.288 788 HA3 GLY 93 HA3 GLY 93 3.646 1.842 23.424 789 H VAL 94 H VAL 94 3.413 1.255 20.629 790 HA VAL 94 HA VAL 94 5.570 -0.733 20.393 791 HB VAL 94 HB VAL 94 3.348 -1.735 20.622 792 HG11 VAL 94 HG11 VAL 94 1.531 -1.268 19.293 793 HG12 VAL 94 HG12 VAL 94 2.521 -0.653 17.969 794 HG13 VAL 94 HG13 VAL 94 2.278 0.323 19.416 795 HG21 VAL 94 HG21 VAL 94 5.256 -2.434 18.849 796 HG22 VAL 94 HG22 VAL 94 3.868 -2.262 17.773 797 HG23 VAL 94 HG23 VAL 94 3.792 -3.374 19.140 798 H GLY 95 H GLY 95 3.562 1.537 18.549 799 HA2 GLY 95 HA2 GLY 95 4.945 2.948 16.998 800 HA3 GLY 95 HA3 GLY 95 5.584 1.426 16.401 801 H TYR 96 H TYR 96 4.895 2.040 14.312 802 HA TYR 96 HA TYR 96 2.148 2.521 13.714 803 HB2 TYR 96 HB2 TYR 96 4.679 2.331 12.226 804 HB3 TYR 96 HB3 TYR 96 3.269 1.819 11.319 805 HD1 TYR 96 HD1 TYR 96 3.616 4.514 13.867 806 HD2 TYR 96 HD2 TYR 96 2.867 3.541 9.793 807 HE1 TYR 96 HE1 TYR 96 3.094 6.872 13.406 808 HE2 TYR 96 HE2 TYR 96 2.343 5.897 9.321 809 HH TYR 96 HH TYR 96 2.777 8.099 10.231 810 H LEU 97 H LEU 97 0.568 1.114 13.341 811 HA LEU 97 HA LEU 97 1.265 -1.659 12.661 812 HB2 LEU 97 HB2 LEU 97 0.703 -1.497 15.062 813 HB3 LEU 97 HB3 LEU 97 -0.854 -0.813 14.639 814 HG LEU 97 HG LEU 97 -0.689 -3.326 15.256 815 HD11 LEU 97 HD11 LEU 97 -2.610 -1.975 14.192 816 HD12 LEU 97 HD12 LEU 97 -2.649 -3.735 14.096 817 HD13 LEU 97 HD13 LEU 97 -2.139 -2.787 12.699 818 HD21 LEU 97 HD21 LEU 97 0.057 -4.836 13.713 819 HD22 LEU 97 HD22 LEU 97 1.177 -3.510 13.398 820 HD23 LEU 97 HD23 LEU 97 -0.222 -3.752 12.351 821 H PHE 98 H PHE 98 0.753 -1.213 10.502 822 HA PHE 98 HA PHE 98 -1.755 -0.096 9.735 823 HB2 PHE 98 HB2 PHE 98 -1.106 -0.792 7.437 824 HB3 PHE 98 HB3 PHE 98 0.133 0.154 8.251 825 HD1 PHE 98 HD1 PHE 98 2.143 -1.016 9.179 826 HD2 PHE 98 HD2 PHE 98 -0.677 -2.968 6.661 827 HE1 PHE 98 HE1 PHE 98 3.790 -2.777 8.704 828 HE2 PHE 98 HE2 PHE 98 0.969 -4.732 6.183 829 HZ PHE 98 HZ PHE 98 3.206 -4.638 7.206 830 H SER 99 H SER 99 -3.297 -1.360 10.823 831 HA SER 99 HA SER 99 -3.688 -4.048 9.676 832 HB2 SER 99 HB2 SER 99 -3.243 -4.255 12.042 833 HB3 SER 99 HB3 SER 99 -4.438 -3.015 12.420 834 HG SER 99 HG SER 99 -5.034 -5.482 11.152 835 H ASP 100 H ASP 100 -5.526 -4.414 8.600 836 HA ASP 100 HA ASP 100 -7.719 -2.480 8.888 837 HB2 ASP 100 HB2 ASP 100 -6.120 -2.834 6.617 838 HB3 ASP 100 HB3 ASP 100 -7.641 -3.640 6.244 839 H ASP 101 H ASP 101 -7.263 -5.430 7.030 840 HA ASP 101 HA ASP 101 -9.041 -6.950 8.675 841 HB2 ASP 101 HB2 ASP 101 -10.302 -5.389 6.815 842 HB3 ASP 101 HB3 ASP 101 -10.089 -6.894 5.926 843 H GLY 102 H GLY 102 -7.605 -6.734 5.427 844 HA2 GLY 102 HA2 GLY 102 -5.724 -8.449 5.205 845 HA3 GLY 102 HA3 GLY 102 -6.980 -9.611 5.605 846 H ASP 103 H ASP 103 -6.045 -7.153 3.235 847 HA ASP 103 HA ASP 103 -7.989 -7.725 1.306 848 HB2 ASP 103 HB2 ASP 103 -5.715 -6.057 1.509 849 HB3 ASP 103 HB3 ASP 103 -5.511 -7.003 0.038 850 H LYS 104 H LYS 104 -7.105 -8.492 -1.011 851 HA LYS 104 HA LYS 104 -6.780 -11.277 -0.794 852 HB2 LYS 104 HB2 LYS 104 -7.521 -9.543 -2.791 853 HB3 LYS 104 HB3 LYS 104 -5.964 -10.126 -3.363 854 HG2 LYS 104 HG2 LYS 104 -6.762 -12.161 -3.835 855 HG3 LYS 104 HG3 LYS 104 -7.727 -12.232 -2.359 856 HD2 LYS 104 HD2 LYS 104 -9.053 -10.331 -3.794 857 HD3 LYS 104 HD3 LYS 104 -8.480 -11.405 -5.071 858 HE2 LYS 104 HE2 LYS 104 -10.586 -12.247 -4.463 859 HE3 LYS 104 HE3 LYS 104 -9.421 -13.311 -3.676 860 HZ1 LYS 104 HZ1 LYS 104 -10.987 -11.127 -2.420 861 HZ2 LYS 104 HZ2 LYS 104 -9.726 -11.940 -1.640 862 HZ3 LYS 104 HZ3 LYS 104 -11.112 -12.786 -2.113 863 H LYS 105 H LYS 105 -4.946 -12.086 -2.619 864 HA LYS 105 HA LYS 105 -2.371 -10.984 -1.959 865 HB2 LYS 105 HB2 LYS 105 -3.363 -13.578 -0.904 866 HB3 LYS 105 HB3 LYS 105 -1.694 -13.516 -1.455 867 HG2 LYS 105 HG2 LYS 105 -1.106 -11.911 0.146 868 HG3 LYS 105 HG3 LYS 105 -2.790 -11.511 0.487 869 HD2 LYS 105 HD2 LYS 105 -2.847 -14.096 1.136 870 HD3 LYS 105 HD3 LYS 105 -1.138 -13.780 1.445 871 HE2 LYS 105 HE2 LYS 105 -1.582 -12.292 3.145 872 HE3 LYS 105 HE3 LYS 105 -3.181 -11.893 2.520 873 HZ1 LYS 105 HZ1 LYS 105 -2.381 -13.998 4.327 874 HZ2 LYS 105 HZ2 LYS 105 -3.448 -14.498 3.114 875 HZ3 LYS 105 HZ3 LYS 105 -3.880 -13.234 4.151 876 H PHE 106 H PHE 106 -0.599 -12.365 -3.095 877 HA PHE 106 HA PHE 106 -1.271 -12.474 -5.845 878 HB2 PHE 106 HB2 PHE 106 0.980 -11.860 -5.056 879 HB3 PHE 106 HB3 PHE 106 1.207 -13.495 -4.444 880 HD1 PHE 106 HD1 PHE 106 -0.088 -12.108 -7.658 881 HD2 PHE 106 HD2 PHE 106 2.738 -14.629 -5.717 882 HE1 PHE 106 HE1 PHE 106 0.794 -12.799 -9.849 883 HE2 PHE 106 HE2 PHE 106 3.626 -15.324 -7.903 884 HZ PHE 106 HZ PHE 106 2.653 -14.410 -9.973 885 H SER 107 H SER 107 -1.289 -14.264 -7.257 886 HA SER 107 HA SER 107 -2.682 -16.510 -6.347 887 HB2 SER 107 HB2 SER 107 -2.817 -15.858 -8.666 888 HB3 SER 107 HB3 SER 107 -1.083 -16.097 -8.882 889 HG SER 107 HG SER 107 -2.879 -18.162 -8.142 890 H GLN 108 H GLN 108 -2.097 -18.580 -5.828 891 HA GLN 108 HA GLN 108 0.420 -18.981 -4.633 892 HB2 GLN 108 HB2 GLN 108 -1.908 -20.169 -4.279 893 HB3 GLN 108 HB3 GLN 108 -1.272 -21.299 -5.466 894 HG2 GLN 108 HG2 GLN 108 0.823 -21.160 -3.789 895 HG3 GLN 108 HG3 GLN 108 -0.498 -20.856 -2.662 896 HE21 GLN 108 HE21 GLN 108 1.405 -23.199 -3.688 897 HE22 GLN 108 HE22 GLN 108 0.346 -24.560 -3.593 898 H GLN 109 H GLN 109 -0.956 -20.187 -7.675 899 HA GLN 109 HA GLN 109 1.244 -21.750 -8.449 900 HB2 GLN 109 HB2 GLN 109 -1.043 -21.852 -9.450 901 HB3 GLN 109 HB3 GLN 109 -0.707 -20.332 -10.268 902 HG2 GLN 109 HG2 GLN 109 0.194 -21.450 -11.943 903 HG3 GLN 109 HG3 GLN 109 1.434 -22.067 -10.853 904 HE21 GLN 109 HE21 GLN 109 -1.146 -22.853 -12.843 905 HE22 GLN 109 HE22 GLN 109 -1.352 -24.499 -12.363 906 H ASP 110 H ASP 110 3.247 -21.088 -8.822 907 HA ASP 110 HA ASP 110 3.652 -18.609 -10.331 908 HB2 ASP 110 HB2 ASP 110 4.031 -18.181 -7.905 909 HB3 ASP 110 HB3 ASP 110 5.307 -19.394 -7.930 910 H THR 111 H THR 111 4.773 -21.774 -9.441 911 HA THR 111 HA THR 111 7.223 -21.786 -10.808 912 HB THR 111 HB THR 111 7.148 -24.184 -10.627 913 HG1 THR 111 HG1 THR 111 4.375 -23.817 -10.202 914 HG21 THR 111 HG21 THR 111 5.681 -23.091 -8.241 915 HG22 THR 111 HG22 THR 111 7.423 -22.975 -8.495 916 HG23 THR 111 HG23 THR 111 6.662 -24.555 -8.310 917 H LYS 112 H LYS 112 7.807 -22.518 -12.852 918 HA LYS 112 HA LYS 112 5.856 -23.380 -14.753 919 HB2 LYS 112 HB2 LYS 112 6.229 -21.496 -16.335 920 HB3 LYS 112 HB3 LYS 112 5.370 -21.025 -14.874 921 HG2 LYS 112 HG2 LYS 112 6.938 -19.557 -14.308 922 HG3 LYS 112 HG3 LYS 112 8.239 -20.712 -14.599 923 HD2 LYS 112 HD2 LYS 112 7.446 -20.144 -17.139 924 HD3 LYS 112 HD3 LYS 112 7.159 -18.601 -16.333 925 HE2 LYS 112 HE2 LYS 112 9.749 -20.130 -16.162 926 HE3 LYS 112 HE3 LYS 112 9.438 -18.861 -17.345 927 HZ1 LYS 112 HZ1 LYS 112 9.983 -18.652 -14.504 928 HZ2 LYS 112 HZ2 LYS 112 8.774 -17.620 -15.082 929 HZ3 LYS 112 HZ3 LYS 112 10.324 -17.566 -15.757 930 H LEU 113 H LEU 113 6.861 -24.857 -15.936 931 HA LEU 113 HA LEU 113 9.506 -24.355 -16.972 932 HB2 LEU 113 HB2 LEU 113 8.919 -26.317 -14.848 933 HB3 LEU 113 HB3 LEU 113 9.912 -26.906 -16.167 934 HG LEU 113 HG LEU 113 10.890 -24.347 -15.277 935 HD11 LEU 113 HD11 LEU 113 10.898 -26.462 -13.140 936 HD12 LEU 113 HD12 LEU 113 9.764 -25.112 -13.158 937 HD13 LEU 113 HD13 LEU 113 11.497 -24.807 -13.038 938 HD21 LEU 113 HD21 LEU 113 11.864 -27.071 -15.817 939 HD22 LEU 113 HD22 LEU 113 12.815 -26.137 -14.662 940 HD23 LEU 113 HD23 LEU 113 12.534 -25.509 -16.286 941 H SER 114 H SER 114 9.460 -24.864 -19.052 942 HA SER 114 HA SER 114 7.336 -26.223 -20.281 943 HB2 SER 114 HB2 SER 114 9.836 -26.297 -21.802 944 HB3 SER 114 HB3 SER 114 8.303 -25.518 -22.192 945 HG SER 114 HG SER 114 8.915 -23.783 -20.865 946 H LEU 115 H LEU 115 6.937 -28.317 -20.644 947 HA LEU 115 HA LEU 115 8.393 -30.342 -19.377 948 HB2 LEU 115 HB2 LEU 115 6.135 -30.179 -21.273 949 HB3 LEU 115 HB3 LEU 115 6.995 -31.703 -21.246 950 HG LEU 115 HG LEU 115 6.334 -32.203 -19.083 951 HD11 LEU 115 HD11 LEU 115 6.914 -30.498 -17.690 952 HD12 LEU 115 HD12 LEU 115 5.169 -30.247 -17.727 953 HD13 LEU 115 HD13 LEU 115 6.223 -29.257 -18.736 954 HD21 LEU 115 HD21 LEU 115 4.389 -32.363 -20.400 955 HD22 LEU 115 HD22 LEU 115 4.157 -30.615 -20.408 956 HD23 LEU 115 HD23 LEU 115 3.894 -31.533 -18.925 957 H GLU 116 H GLU 116 8.041 -29.771 -22.883 958 HA GLU 116 HA GLU 116 10.829 -30.462 -23.292 959 HB2 GLU 116 HB2 GLU 116 9.000 -32.495 -23.457 960 HB3 GLU 116 HB3 GLU 116 9.081 -31.950 -25.127 961 HG2 GLU 116 HG2 GLU 116 11.733 -32.111 -24.181 962 HG3 GLU 116 HG3 GLU 116 10.907 -33.585 -23.676 Start of MODEL 17 1 H1 HIS 1 H1 HIS 1 7.973 -17.583 -0.600 2 H2 HIS 1 H2 HIS 1 9.637 -17.165 -0.541 3 H3 HIS 1 H3 HIS 1 8.839 -17.310 -2.054 4 HA HIS 1 HA HIS 1 8.072 -15.365 0.009 5 HB2 HIS 1 HB2 HIS 1 10.491 -15.388 -1.249 6 HB3 HIS 1 HB3 HIS 1 9.529 -14.465 -2.398 7 HD1 HIS 1 HD1 HIS 1 9.958 -12.069 -2.009 8 HD2 HIS 1 HD2 HIS 1 9.722 -14.186 1.559 9 HE1 HIS 1 HE1 HIS 1 10.204 -10.350 -0.190 10 HE2 HIS 1 HE2 HIS 1 10.144 -11.665 1.958 11 H SER 2 H SER 2 7.153 -13.404 -1.294 12 HA SER 2 HA SER 2 5.836 -14.024 -3.762 13 HB2 SER 2 HB2 SER 2 4.111 -13.725 -1.292 14 HB3 SER 2 HB3 SER 2 3.541 -13.928 -2.948 15 HG SER 2 HG SER 2 4.480 -15.993 -2.957 16 H VAL 3 H VAL 3 5.575 -12.194 -4.862 17 HA VAL 3 HA VAL 3 5.295 -9.673 -3.368 18 HB VAL 3 HB VAL 3 6.691 -8.562 -5.110 19 HG11 VAL 3 HG11 VAL 3 7.467 -9.780 -2.829 20 HG12 VAL 3 HG12 VAL 3 8.540 -8.823 -3.850 21 HG13 VAL 3 HG13 VAL 3 8.521 -10.581 -3.994 22 HG21 VAL 3 HG21 VAL 3 6.931 -11.381 -6.052 23 HG22 VAL 3 HG22 VAL 3 8.301 -10.290 -6.253 24 HG23 VAL 3 HG23 VAL 3 6.745 -9.893 -6.981 25 HA PRO 4 HA PRO 4 1.721 -9.892 -6.223 26 HB2 PRO 4 HB2 PRO 4 0.859 -7.641 -4.509 27 HB3 PRO 4 HB3 PRO 4 0.001 -9.125 -4.933 28 HG2 PRO 4 HG2 PRO 4 1.009 -8.762 -2.483 29 HG3 PRO 4 HG3 PRO 4 1.024 -10.354 -3.262 30 HD2 PRO 4 HD2 PRO 4 3.252 -8.384 -2.933 31 HD3 PRO 4 HD3 PRO 4 3.282 -10.155 -2.796 32 H GLU 5 H GLU 5 0.409 -7.759 -7.046 33 HA GLU 5 HA GLU 5 2.268 -5.624 -7.697 34 HB2 GLU 5 HB2 GLU 5 1.792 -7.756 -9.481 35 HB3 GLU 5 HB3 GLU 5 0.929 -6.365 -10.120 36 HG2 GLU 5 HG2 GLU 5 3.205 -5.144 -9.626 37 HG3 GLU 5 HG3 GLU 5 3.845 -6.783 -9.742 38 H SER 6 H SER 6 -0.757 -6.670 -9.149 39 HA SER 6 HA SER 6 -1.896 -4.067 -9.028 40 HB2 SER 6 HB2 SER 6 -3.686 -6.419 -9.343 41 HB3 SER 6 HB3 SER 6 -3.609 -4.928 -10.281 42 HG SER 6 HG SER 6 -2.658 -7.238 -10.980 43 H ILE 7 H ILE 7 -4.154 -3.757 -8.021 44 HA ILE 7 HA ILE 7 -4.148 -4.935 -5.320 45 HB ILE 7 HB ILE 7 -5.047 -2.147 -6.031 46 HG12 ILE 7 HG12 ILE 7 -2.940 -1.767 -4.399 47 HG13 ILE 7 HG13 ILE 7 -2.420 -3.247 -5.198 48 HG21 ILE 7 HG21 ILE 7 -5.200 -1.795 -3.645 49 HG22 ILE 7 HG22 ILE 7 -4.619 -3.431 -3.339 50 HG23 ILE 7 HG23 ILE 7 -6.187 -3.182 -4.104 51 HD11 ILE 7 HD11 ILE 7 -1.568 -1.237 -6.294 52 HD12 ILE 7 HD12 ILE 7 -3.220 -0.706 -6.594 53 HD13 ILE 7 HD13 ILE 7 -2.613 -2.175 -7.357 54 H ARG 8 H ARG 8 -5.586 -6.525 -6.492 55 HA ARG 8 HA ARG 8 -8.203 -5.637 -7.266 56 HB2 ARG 8 HB2 ARG 8 -6.780 -8.236 -7.097 57 HB3 ARG 8 HB3 ARG 8 -8.533 -8.292 -6.981 58 HG2 ARG 8 HG2 ARG 8 -8.715 -7.112 -9.113 59 HG3 ARG 8 HG3 ARG 8 -6.955 -7.056 -9.229 60 HD2 ARG 8 HD2 ARG 8 -7.133 -8.978 -10.356 61 HD3 ARG 8 HD3 ARG 8 -7.445 -9.720 -8.788 62 HE ARG 8 HE ARG 8 -9.808 -8.681 -10.039 63 HH11 ARG 8 HH11 ARG 8 -7.655 -11.421 -9.858 64 HH12 ARG 8 HH12 ARG 8 -8.849 -12.554 -10.394 65 HH21 ARG 8 HH21 ARG 8 -11.381 -10.170 -10.744 66 HH22 ARG 8 HH22 ARG 8 -10.965 -11.844 -10.897 67 H PHE 9 H PHE 9 -8.434 -4.454 -5.159 68 HA PHE 9 HA PHE 9 -9.143 -6.123 -2.882 69 HB2 PHE 9 HB2 PHE 9 -7.790 -4.029 -2.632 70 HB3 PHE 9 HB3 PHE 9 -9.201 -3.109 -3.131 71 HD1 PHE 9 HD1 PHE 9 -11.410 -3.812 -1.698 72 HD2 PHE 9 HD2 PHE 9 -7.365 -4.098 -0.405 73 HE1 PHE 9 HE1 PHE 9 -12.156 -3.721 0.642 74 HE2 PHE 9 HE2 PHE 9 -8.105 -4.005 1.938 75 HZ PHE 9 HZ PHE 9 -10.503 -3.819 2.465 76 H GLY 10 H GLY 10 -11.074 -7.103 -3.283 77 HA2 GLY 10 HA2 GLY 10 -13.338 -7.334 -3.595 78 HA3 GLY 10 HA3 GLY 10 -13.459 -5.734 -2.879 79 HA PRO 11 HA PRO 11 -15.161 -5.214 -7.097 80 HB2 PRO 11 HB2 PRO 11 -16.721 -3.079 -6.458 81 HB3 PRO 11 HB3 PRO 11 -17.225 -4.754 -6.207 82 HG2 PRO 11 HG2 PRO 11 -16.094 -2.800 -4.242 83 HG3 PRO 11 HG3 PRO 11 -17.438 -3.940 -4.041 84 HD2 PRO 11 HD2 PRO 11 -14.960 -4.437 -3.080 85 HD3 PRO 11 HD3 PRO 11 -16.031 -5.728 -3.662 86 H ASN 12 H ASN 12 -13.266 -3.255 -5.036 87 HA ASN 12 HA ASN 12 -12.936 -1.149 -7.036 88 HB2 ASN 12 HB2 ASN 12 -12.295 -1.428 -4.138 89 HB3 ASN 12 HB3 ASN 12 -11.296 -0.345 -5.101 90 HD21 ASN 12 HD21 ASN 12 -11.992 1.526 -4.178 91 HD22 ASN 12 HD22 ASN 12 -13.599 2.138 -4.355 92 H VAL 13 H VAL 13 -11.250 -1.056 -8.372 93 HA VAL 13 HA VAL 13 -9.023 -2.932 -7.924 94 HB VAL 13 HB VAL 13 -9.800 -1.658 -10.548 95 HG11 VAL 13 HG11 VAL 13 -7.652 -2.343 -10.887 96 HG12 VAL 13 HG12 VAL 13 -8.493 -3.850 -11.253 97 HG13 VAL 13 HG13 VAL 13 -7.748 -3.617 -9.672 98 HG21 VAL 13 HG21 VAL 13 -10.404 -4.488 -9.733 99 HG22 VAL 13 HG22 VAL 13 -10.992 -3.603 -11.141 100 HG23 VAL 13 HG23 VAL 13 -11.563 -3.175 -9.528 101 H PHE 14 H PHE 14 -7.105 -2.090 -7.425 102 HA PHE 14 HA PHE 14 -6.584 0.721 -8.148 103 HB2 PHE 14 HB2 PHE 14 -6.741 -0.351 -5.586 104 HB3 PHE 14 HB3 PHE 14 -5.013 -0.270 -5.900 105 HD1 PHE 14 HD1 PHE 14 -4.439 2.091 -7.227 106 HD2 PHE 14 HD2 PHE 14 -7.533 1.416 -4.385 107 HE1 PHE 14 HE1 PHE 14 -4.447 4.488 -6.672 108 HE2 PHE 14 HE2 PHE 14 -7.546 3.811 -3.823 109 HZ PHE 14 HZ PHE 14 -6.000 5.351 -4.967 110 H TYR 15 H TYR 15 -4.568 1.232 -8.956 111 HA TYR 15 HA TYR 15 -2.826 -1.066 -9.561 112 HB2 TYR 15 HB2 TYR 15 -3.567 1.345 -11.192 113 HB3 TYR 15 HB3 TYR 15 -2.090 0.448 -11.526 114 HD1 TYR 15 HD1 TYR 15 -2.286 -2.020 -12.090 115 HD2 TYR 15 HD2 TYR 15 -5.643 0.593 -11.993 116 HE1 TYR 15 HE1 TYR 15 -3.566 -3.622 -13.448 117 HE2 TYR 15 HE2 TYR 15 -6.931 -1.002 -13.350 118 HH TYR 15 HH TYR 15 -6.210 -4.099 -13.730 119 H VAL 16 H VAL 16 -0.887 -1.019 -8.674 120 HA VAL 16 HA VAL 16 0.031 1.009 -6.995 121 HB VAL 16 HB VAL 16 2.302 -0.147 -7.282 122 HG11 VAL 16 HG11 VAL 16 0.334 -0.616 -5.606 123 HG12 VAL 16 HG12 VAL 16 1.730 -1.690 -5.688 124 HG13 VAL 16 HG13 VAL 16 0.227 -2.134 -6.498 125 HG21 VAL 16 HG21 VAL 16 1.208 -2.576 -8.314 126 HG22 VAL 16 HG22 VAL 16 2.577 -1.636 -8.906 127 HG23 VAL 16 HG23 VAL 16 0.949 -1.283 -9.483 128 H LEU 17 H LEU 17 0.203 0.782 -10.427 129 HA LEU 17 HA LEU 17 2.236 2.912 -10.485 130 HB2 LEU 17 HB2 LEU 17 1.432 1.275 -12.866 131 HB3 LEU 17 HB3 LEU 17 2.904 2.195 -12.615 132 HG LEU 17 HG LEU 17 2.756 0.178 -10.597 133 HD11 LEU 17 HD11 LEU 17 2.051 -0.710 -13.359 134 HD12 LEU 17 HD12 LEU 17 1.416 -1.255 -11.807 135 HD13 LEU 17 HD13 LEU 17 3.030 -1.746 -12.321 136 HD21 LEU 17 HD21 LEU 17 4.871 -0.534 -11.619 137 HD22 LEU 17 HD22 LEU 17 4.803 1.214 -11.393 138 HD23 LEU 17 HD23 LEU 17 4.552 0.522 -12.996 139 H LYS 18 H LYS 18 -1.010 2.054 -11.404 140 HA LYS 18 HA LYS 18 -1.339 4.379 -13.098 141 HB2 LYS 18 HB2 LYS 18 -2.582 1.930 -12.981 142 HB3 LYS 18 HB3 LYS 18 -3.777 2.993 -12.250 143 HG2 LYS 18 HG2 LYS 18 -4.100 4.186 -14.181 144 HG3 LYS 18 HG3 LYS 18 -2.501 3.796 -14.817 145 HD2 LYS 18 HD2 LYS 18 -3.193 1.521 -15.262 146 HD3 LYS 18 HD3 LYS 18 -4.765 1.824 -14.519 147 HE2 LYS 18 HE2 LYS 18 -5.304 3.436 -16.247 148 HE3 LYS 18 HE3 LYS 18 -3.704 3.240 -16.962 149 HZ1 LYS 18 HZ1 LYS 18 -5.764 1.945 -17.884 150 HZ2 LYS 18 HZ2 LYS 18 -5.386 0.862 -16.641 151 HZ3 LYS 18 HZ3 LYS 18 -4.238 1.217 -17.831 152 H LEU 19 H LEU 19 -2.213 3.369 -9.840 153 HA LEU 19 HA LEU 19 -2.975 4.529 -8.040 154 HB2 LEU 19 HB2 LEU 19 -2.509 7.117 -9.468 155 HB3 LEU 19 HB3 LEU 19 -2.316 6.744 -7.766 156 HG LEU 19 HG LEU 19 -0.504 5.515 -9.819 157 HD11 LEU 19 HD11 LEU 19 -0.305 7.841 -10.272 158 HD12 LEU 19 HD12 LEU 19 1.084 7.374 -9.290 159 HD13 LEU 19 HD13 LEU 19 -0.268 8.234 -8.553 160 HD21 LEU 19 HD21 LEU 19 0.186 4.494 -7.959 161 HD22 LEU 19 HD22 LEU 19 -0.711 5.599 -6.918 162 HD23 LEU 19 HD23 LEU 19 0.890 6.047 -7.506 163 H THR 20 H THR 20 -4.761 3.808 -10.241 164 HA THR 20 HA THR 20 -6.867 5.820 -9.788 165 HB THR 20 HB THR 20 -6.832 4.036 -12.202 166 HG1 THR 20 HG1 THR 20 -5.410 6.447 -11.825 167 HG21 THR 20 HG21 THR 20 -7.939 6.796 -11.754 168 HG22 THR 20 HG22 THR 20 -8.869 5.298 -11.780 169 HG23 THR 20 HG23 THR 20 -8.055 5.857 -13.241 170 H VAL 21 H VAL 21 -8.681 5.110 -8.854 171 HA VAL 21 HA VAL 21 -8.910 2.268 -8.264 172 HB VAL 21 HB VAL 21 -10.904 4.290 -7.317 173 HG11 VAL 21 HG11 VAL 21 -10.773 1.659 -6.933 174 HG12 VAL 21 HG12 VAL 21 -11.397 2.764 -5.708 175 HG13 VAL 21 HG13 VAL 21 -9.737 2.174 -5.602 176 HG21 VAL 21 HG21 VAL 21 -8.038 4.199 -6.622 177 HG22 VAL 21 HG22 VAL 21 -9.163 4.309 -5.269 178 HG23 VAL 21 HG23 VAL 21 -9.184 5.535 -6.537 179 H GLU 22 H GLU 22 -9.825 1.094 -9.831 180 HA GLU 22 HA GLU 22 -11.736 2.120 -11.670 181 HB2 GLU 22 HB2 GLU 22 -10.079 0.039 -11.782 182 HB3 GLU 22 HB3 GLU 22 -11.505 -0.814 -11.208 183 HG2 GLU 22 HG2 GLU 22 -11.919 1.004 -13.488 184 HG3 GLU 22 HG3 GLU 22 -10.935 -0.426 -13.798 185 H THR 23 H THR 23 -13.312 3.004 -10.201 186 HA THR 23 HA THR 23 -14.780 1.361 -8.409 187 HB THR 23 HB THR 23 -16.446 3.484 -9.010 188 HG1 THR 23 HG1 THR 23 -15.317 5.037 -9.824 189 HG21 THR 23 HG21 THR 23 -15.951 4.284 -6.942 190 HG22 THR 23 HG22 THR 23 -14.222 3.981 -7.113 191 HG23 THR 23 HG23 THR 23 -15.324 2.643 -6.788 192 HA PRO 24 HA PRO 24 -17.865 -0.371 -11.038 193 HB2 PRO 24 HB2 PRO 24 -20.120 -0.246 -9.592 194 HB3 PRO 24 HB3 PRO 24 -18.749 -1.240 -9.091 195 HG2 PRO 24 HG2 PRO 24 -19.594 1.451 -8.112 196 HG3 PRO 24 HG3 PRO 24 -19.011 0.055 -7.188 197 HD2 PRO 24 HD2 PRO 24 -17.455 2.195 -7.896 198 HD3 PRO 24 HD3 PRO 24 -16.816 0.576 -7.566 199 H GLU 25 H GLU 25 -17.916 2.922 -10.466 200 HA GLU 25 HA GLU 25 -20.142 3.305 -12.360 201 HB2 GLU 25 HB2 GLU 25 -20.381 4.163 -9.918 202 HB3 GLU 25 HB3 GLU 25 -19.268 5.426 -10.422 203 HG2 GLU 25 HG2 GLU 25 -21.544 6.197 -10.600 204 HG3 GLU 25 HG3 GLU 25 -20.819 6.073 -12.202 205 H GLY 26 H GLY 26 -17.039 4.606 -11.220 206 HA2 GLY 26 HA2 GLY 26 -16.366 5.299 -13.971 207 HA3 GLY 26 HA3 GLY 26 -16.437 6.633 -12.831 208 H SER 27 H SER 27 -14.631 7.129 -11.771 209 HA SER 27 HA SER 27 -12.730 5.150 -10.949 210 HB2 SER 27 HB2 SER 27 -12.368 6.452 -13.510 211 HB3 SER 27 HB3 SER 27 -11.041 6.846 -12.417 212 HG SER 27 HG SER 27 -11.502 4.566 -13.734 213 H VAL 28 H VAL 28 -10.739 6.259 -9.974 214 HA VAL 28 HA VAL 28 -11.320 8.958 -9.005 215 HB VAL 28 HB VAL 28 -10.647 6.695 -7.123 216 HG11 VAL 28 HG11 VAL 28 -10.850 8.244 -5.369 217 HG12 VAL 28 HG12 VAL 28 -11.593 9.456 -6.413 218 HG13 VAL 28 HG13 VAL 28 -9.883 9.065 -6.594 219 HG21 VAL 28 HG21 VAL 28 -13.064 7.461 -6.304 220 HG22 VAL 28 HG22 VAL 28 -12.827 6.182 -7.496 221 HG23 VAL 28 HG23 VAL 28 -13.236 7.815 -8.023 222 H HIS 29 H HIS 29 -9.542 10.189 -8.673 223 HA HIS 29 HA HIS 29 -6.935 8.900 -9.133 224 HB2 HIS 29 HB2 HIS 29 -6.191 11.224 -9.783 225 HB3 HIS 29 HB3 HIS 29 -7.379 10.493 -10.856 226 HD1 HIS 29 HD1 HIS 29 -6.774 13.442 -8.778 227 HD2 HIS 29 HD2 HIS 29 -10.055 11.562 -10.500 228 HE1 HIS 29 HE1 HIS 29 -8.627 15.140 -8.723 229 HE2 HIS 29 HE2 HIS 29 -10.626 13.952 -9.694 230 H LEU 30 H LEU 30 -5.068 10.167 -8.100 231 HA LEU 30 HA LEU 30 -5.547 11.672 -5.746 232 HB2 LEU 30 HB2 LEU 30 -5.191 10.144 -4.037 233 HB3 LEU 30 HB3 LEU 30 -6.238 9.270 -5.136 234 HG LEU 30 HG LEU 30 -3.283 8.889 -4.712 235 HD11 LEU 30 HD11 LEU 30 -5.747 7.433 -4.000 236 HD12 LEU 30 HD12 LEU 30 -4.195 7.519 -3.168 237 HD13 LEU 30 HD13 LEU 30 -4.391 6.453 -4.559 238 HD21 LEU 30 HD21 LEU 30 -3.803 6.963 -6.442 239 HD22 LEU 30 HD22 LEU 30 -3.289 8.566 -6.968 240 HD23 LEU 30 HD23 LEU 30 -4.997 8.129 -7.013 241 H THR 31 H THR 31 -3.471 11.869 -4.409 242 HA THR 31 HA THR 31 -1.325 12.448 -6.209 243 HB THR 31 HB THR 31 -0.139 12.902 -3.904 244 HG1 THR 31 HG1 THR 31 -1.796 11.802 -2.710 245 HG21 THR 31 HG21 THR 31 -2.059 14.457 -5.424 246 HG22 THR 31 HG22 THR 31 -0.518 14.933 -4.711 247 HG23 THR 31 HG23 THR 31 -1.981 14.927 -3.726 248 HA PRO 32 HA PRO 32 0.644 8.476 -5.925 249 HB2 PRO 32 HB2 PRO 32 3.030 9.114 -7.035 250 HB3 PRO 32 HB3 PRO 32 1.550 8.940 -7.985 251 HG2 PRO 32 HG2 PRO 32 2.867 11.432 -6.972 252 HG3 PRO 32 HG3 PRO 32 2.161 11.110 -8.567 253 HD2 PRO 32 HD2 PRO 32 0.853 12.501 -6.644 254 HD3 PRO 32 HD3 PRO 32 0.010 11.483 -7.829 255 H SER 33 H SER 33 1.829 11.307 -4.364 256 HA SER 33 HA SER 33 4.048 10.031 -3.076 257 HB2 SER 33 HB2 SER 33 4.075 12.111 -1.658 258 HB3 SER 33 HB3 SER 33 4.174 12.419 -3.392 259 HG SER 33 HG SER 33 2.053 13.045 -3.397 260 H GLU 34 H GLU 34 0.771 10.870 -2.186 261 HA GLU 34 HA GLU 34 1.064 9.692 0.435 262 HB2 GLU 34 HB2 GLU 34 -1.392 10.742 -0.986 263 HB3 GLU 34 HB3 GLU 34 -1.344 10.224 0.693 264 HG2 GLU 34 HG2 GLU 34 -0.489 12.158 1.386 265 HG3 GLU 34 HG3 GLU 34 0.670 12.225 0.059 266 H SER 35 H SER 35 -0.322 8.913 -2.660 267 HA SER 35 HA SER 35 -1.442 6.427 -1.742 268 HB2 SER 35 HB2 SER 35 -2.451 6.336 -3.767 269 HB3 SER 35 HB3 SER 35 -1.904 7.999 -3.940 270 HG SER 35 HG SER 35 -0.643 5.654 -4.906 271 H GLY 36 H GLY 36 1.612 7.613 -2.682 272 HA2 GLY 36 HA2 GLY 36 2.763 5.226 -3.686 273 HA3 GLY 36 HA3 GLY 36 3.642 6.601 -3.034 274 H ILE 37 H ILE 37 2.149 6.484 -0.506 275 HA ILE 37 HA ILE 37 3.895 4.760 0.920 276 HB ILE 37 HB ILE 37 1.318 5.627 2.154 277 HG12 ILE 37 HG12 ILE 37 2.025 7.608 0.881 278 HG13 ILE 37 HG13 ILE 37 2.211 7.866 2.610 279 HG21 ILE 37 HG21 ILE 37 3.883 6.096 3.498 280 HG22 ILE 37 HG22 ILE 37 3.529 4.408 3.130 281 HG23 ILE 37 HG23 ILE 37 2.400 5.354 4.099 282 HD11 ILE 37 HD11 ILE 37 4.550 6.879 1.078 283 HD12 ILE 37 HD12 ILE 37 4.478 7.922 2.499 284 HD13 ILE 37 HD13 ILE 37 4.076 8.569 0.911 285 H LEU 38 H LEU 38 0.520 4.570 0.018 286 HA LEU 38 HA LEU 38 -0.017 2.076 1.234 287 HB2 LEU 38 HB2 LEU 38 -1.919 3.318 0.720 288 HB3 LEU 38 HB3 LEU 38 -1.345 3.719 -0.886 289 HG LEU 38 HG LEU 38 -1.849 0.851 -0.454 290 HD11 LEU 38 HD11 LEU 38 -3.663 2.092 0.856 291 HD12 LEU 38 HD12 LEU 38 -4.178 0.917 -0.354 292 HD13 LEU 38 HD13 LEU 38 -4.237 2.641 -0.718 293 HD21 LEU 38 HD21 LEU 38 -2.199 0.878 -2.670 294 HD22 LEU 38 HD22 LEU 38 -1.442 2.470 -2.599 295 HD23 LEU 38 HD23 LEU 38 -3.200 2.328 -2.597 296 H LYS 39 H LYS 39 1.572 2.995 -1.670 297 HA LYS 39 HA LYS 39 1.253 0.545 -3.073 298 HB2 LYS 39 HB2 LYS 39 1.811 2.686 -4.189 299 HB3 LYS 39 HB3 LYS 39 3.387 2.655 -3.409 300 HG2 LYS 39 HG2 LYS 39 3.380 0.234 -4.609 301 HG3 LYS 39 HG3 LYS 39 2.398 1.167 -5.740 302 HD2 LYS 39 HD2 LYS 39 4.161 2.834 -5.925 303 HD3 LYS 39 HD3 LYS 39 5.137 1.955 -4.746 304 HE2 LYS 39 HE2 LYS 39 4.199 0.434 -7.104 305 HE3 LYS 39 HE3 LYS 39 5.424 1.668 -7.394 306 HZ1 LYS 39 HZ1 LYS 39 5.982 -0.828 -6.653 307 HZ2 LYS 39 HZ2 LYS 39 5.921 -0.083 -5.136 308 HZ3 LYS 39 HZ3 LYS 39 6.987 0.491 -6.317 309 H ARG 40 H ARG 40 3.523 1.757 -0.729 310 HA ARG 40 HA ARG 40 5.405 -0.379 -1.123 311 HB2 ARG 40 HB2 ARG 40 5.192 1.483 1.245 312 HB3 ARG 40 HB3 ARG 40 6.596 0.542 0.766 313 HG2 ARG 40 HG2 ARG 40 5.395 2.871 -0.711 314 HG3 ARG 40 HG3 ARG 40 6.932 2.835 0.156 315 HD2 ARG 40 HD2 ARG 40 6.222 1.252 -2.311 316 HD3 ARG 40 HD3 ARG 40 7.307 2.640 -2.233 317 HE ARG 40 HE ARG 40 8.233 0.682 -0.458 318 HH11 ARG 40 HH11 ARG 40 7.875 1.197 -3.891 319 HH12 ARG 40 HH12 ARG 40 9.214 0.183 -4.309 320 HH21 ARG 40 HH21 ARG 40 9.995 -0.652 -1.006 321 HH22 ARG 40 HH22 ARG 40 10.418 -0.867 -2.672 322 H LEU 41 H LEU 41 2.709 0.246 0.977 323 HA LEU 41 HA LEU 41 3.236 -2.029 2.661 324 HB2 LEU 41 HB2 LEU 41 0.613 -0.572 2.443 325 HB3 LEU 41 HB3 LEU 41 1.233 -1.482 3.807 326 HG LEU 41 HG LEU 41 2.112 1.235 2.852 327 HD11 LEU 41 HD11 LEU 41 1.477 0.675 5.670 328 HD12 LEU 41 HD12 LEU 41 0.125 0.577 4.543 329 HD13 LEU 41 HD13 LEU 41 1.066 2.064 4.663 330 HD21 LEU 41 HD21 LEU 41 3.478 0.575 5.214 331 HD22 LEU 41 HD22 LEU 41 4.160 0.840 3.610 332 HD23 LEU 41 HD23 LEU 41 3.707 -0.786 4.117 333 H LEU 42 H LEU 42 1.674 -1.435 -0.327 334 HA LEU 42 HA LEU 42 -0.050 -3.719 -0.263 335 HB2 LEU 42 HB2 LEU 42 0.368 -1.479 -1.965 336 HB3 LEU 42 HB3 LEU 42 0.534 -2.926 -2.939 337 HG LEU 42 HG LEU 42 -1.757 -2.017 -2.956 338 HD11 LEU 42 HD11 LEU 42 -1.876 -4.224 -3.490 339 HD12 LEU 42 HD12 LEU 42 -2.814 -4.246 -1.996 340 HD13 LEU 42 HD13 LEU 42 -1.122 -4.745 -1.982 341 HD21 LEU 42 HD21 LEU 42 -1.786 -2.751 -0.033 342 HD22 LEU 42 HD22 LEU 42 -3.156 -2.165 -0.979 343 HD23 LEU 42 HD23 LEU 42 -1.774 -1.110 -0.677 344 H ILE 43 H ILE 43 3.266 -3.130 -1.000 345 HA ILE 43 HA ILE 43 3.684 -5.395 -2.682 346 HB ILE 43 HB ILE 43 5.831 -4.198 -0.952 347 HG12 ILE 43 HG12 ILE 43 4.790 -2.265 -1.897 348 HG13 ILE 43 HG13 ILE 43 6.226 -2.591 -2.859 349 HG21 ILE 43 HG21 ILE 43 6.411 -6.171 -2.239 350 HG22 ILE 43 HG22 ILE 43 7.245 -4.755 -2.881 351 HG23 ILE 43 HG23 ILE 43 5.833 -5.401 -3.717 352 HD11 ILE 43 HD11 ILE 43 4.899 -3.545 -4.613 353 HD12 ILE 43 HD12 ILE 43 4.251 -1.958 -4.199 354 HD13 ILE 43 HD13 ILE 43 3.439 -3.417 -3.632 355 H ASN 44 H ASN 44 3.635 -4.872 0.777 356 HA ASN 44 HA ASN 44 4.542 -7.619 1.239 357 HB2 ASN 44 HB2 ASN 44 5.263 -5.354 2.534 358 HB3 ASN 44 HB3 ASN 44 3.930 -5.887 3.554 359 HD21 ASN 44 HD21 ASN 44 6.845 -5.753 4.021 360 HD22 ASN 44 HD22 ASN 44 7.301 -7.345 4.514 361 H LYS 45 H LYS 45 1.815 -5.501 1.610 362 HA LYS 45 HA LYS 45 -0.341 -5.821 2.278 363 HB2 LYS 45 HB2 LYS 45 0.382 -8.330 0.822 364 HB3 LYS 45 HB3 LYS 45 -1.186 -8.220 1.609 365 HG2 LYS 45 HG2 LYS 45 -0.276 -6.059 -0.242 366 HG3 LYS 45 HG3 LYS 45 -0.963 -7.556 -0.876 367 HD2 LYS 45 HD2 LYS 45 -2.846 -6.246 -0.698 368 HD3 LYS 45 HD3 LYS 45 -2.857 -7.068 0.862 369 HE2 LYS 45 HE2 LYS 45 -1.275 -4.654 0.962 370 HE3 LYS 45 HE3 LYS 45 -2.914 -4.320 0.406 371 HZ1 LYS 45 HZ1 LYS 45 -3.790 -4.841 2.397 372 HZ2 LYS 45 HZ2 LYS 45 -2.241 -4.477 2.968 373 HZ3 LYS 45 HZ3 LYS 45 -2.685 -6.086 2.701 374 H GLY 46 H GLY 46 0.023 -5.633 4.506 375 HA2 GLY 46 HA2 GLY 46 -0.411 -6.343 6.656 376 HA3 GLY 46 HA3 GLY 46 -0.770 -7.934 6.027 377 H GLN 47 H GLN 47 1.576 -5.865 7.441 378 HA GLN 47 HA GLN 47 3.169 -8.046 8.333 379 HB2 GLN 47 HB2 GLN 47 4.014 -7.905 6.031 380 HB3 GLN 47 HB3 GLN 47 4.382 -6.202 6.264 381 HG2 GLN 47 HG2 GLN 47 6.438 -7.126 6.593 382 HG3 GLN 47 HG3 GLN 47 5.831 -7.099 8.248 383 HE21 GLN 47 HE21 GLN 47 7.072 -9.001 5.757 384 HE22 GLN 47 HE22 GLN 47 6.829 -10.551 6.480 385 H LEU 48 H LEU 48 4.562 -7.437 9.999 386 HA LEU 48 HA LEU 48 3.919 -4.994 11.301 387 HB2 LEU 48 HB2 LEU 48 4.965 -7.410 12.083 388 HB3 LEU 48 HB3 LEU 48 6.353 -6.347 12.214 389 HG LEU 48 HG LEU 48 5.204 -6.495 14.345 390 HD11 LEU 48 HD11 LEU 48 5.281 -3.938 12.849 391 HD12 LEU 48 HD12 LEU 48 6.150 -4.431 14.302 392 HD13 LEU 48 HD13 LEU 48 4.457 -3.948 14.408 393 HD21 LEU 48 HD21 LEU 48 2.855 -5.193 14.217 394 HD22 LEU 48 HD22 LEU 48 3.003 -6.949 14.138 395 HD23 LEU 48 HD23 LEU 48 2.837 -6.009 12.654 396 H CYS 49 H CYS 49 4.514 -3.210 10.158 397 HA CYS 49 HA CYS 49 7.404 -2.769 9.877 398 HB2 CYS 49 HB2 CYS 49 5.455 -2.897 7.753 399 HB3 CYS 49 HB3 CYS 49 6.167 -1.289 7.824 400 HG CYS 49 HG CYS 49 7.556 -3.807 6.865 401 H LEU 50 H LEU 50 7.657 -1.381 11.542 402 HA LEU 50 HA LEU 50 5.883 0.511 12.496 403 HB2 LEU 50 HB2 LEU 50 8.837 1.031 12.477 404 HB3 LEU 50 HB3 LEU 50 7.660 1.453 13.703 405 HG LEU 50 HG LEU 50 8.698 -0.268 14.771 406 HD11 LEU 50 HD11 LEU 50 7.117 -2.244 13.260 407 HD12 LEU 50 HD12 LEU 50 6.223 -0.884 13.940 408 HD13 LEU 50 HD13 LEU 50 7.184 -1.922 14.993 409 HD21 LEU 50 HD21 LEU 50 9.521 -0.999 12.070 410 HD22 LEU 50 HD22 LEU 50 9.246 -2.385 13.125 411 HD23 LEU 50 HD23 LEU 50 10.391 -1.130 13.599 412 H ARG 51 H ARG 51 5.483 2.666 12.098 413 HA ARG 51 HA ARG 51 5.648 3.562 9.459 414 HB2 ARG 51 HB2 ARG 51 4.843 5.704 10.289 415 HB3 ARG 51 HB3 ARG 51 3.985 4.391 11.080 416 HG2 ARG 51 HG2 ARG 51 4.416 5.649 12.903 417 HG3 ARG 51 HG3 ARG 51 5.922 4.730 12.870 418 HD2 ARG 51 HD2 ARG 51 7.145 6.547 12.406 419 HD3 ARG 51 HD3 ARG 51 5.996 7.117 11.196 420 HE ARG 51 HE ARG 51 5.099 8.508 12.768 421 HH11 ARG 51 HH11 ARG 51 6.961 6.048 14.398 422 HH12 ARG 51 HH12 ARG 51 6.793 6.778 15.959 423 HH21 ARG 51 HH21 ARG 51 4.876 9.470 14.820 424 HH22 ARG 51 HH22 ARG 51 5.609 8.721 16.199 425 H LYS 52 H LYS 52 7.800 3.965 12.147 426 HA LYS 52 HA LYS 52 9.352 6.068 11.105 427 HB2 LYS 52 HB2 LYS 52 9.327 4.892 13.486 428 HB3 LYS 52 HB3 LYS 52 10.639 3.964 12.773 429 HG2 LYS 52 HG2 LYS 52 11.469 6.418 12.133 430 HG3 LYS 52 HG3 LYS 52 10.539 6.803 13.582 431 HD2 LYS 52 HD2 LYS 52 12.009 5.776 14.952 432 HD3 LYS 52 HD3 LYS 52 12.311 4.465 13.810 433 HE2 LYS 52 HE2 LYS 52 14.333 5.477 13.668 434 HE3 LYS 52 HE3 LYS 52 13.482 6.460 12.477 435 HZ1 LYS 52 HZ1 LYS 52 13.501 8.256 13.814 436 HZ2 LYS 52 HZ2 LYS 52 14.836 7.486 14.512 437 HZ3 LYS 52 HZ3 LYS 52 13.313 7.359 15.237 438 H HIS 53 H HIS 53 10.220 2.656 11.288 439 HA HIS 53 HA HIS 53 12.356 2.767 9.508 440 HB2 HIS 53 HB2 HIS 53 11.989 0.817 10.910 441 HB3 HIS 53 HB3 HIS 53 10.470 0.481 10.092 442 HD1 HIS 53 HD1 HIS 53 10.651 -0.412 7.608 443 HD2 HIS 53 HD2 HIS 53 14.242 -0.193 9.687 444 HE1 HIS 53 HE1 HIS 53 12.280 -1.797 6.284 445 HE2 HIS 53 HE2 HIS 53 14.422 -1.720 7.607 446 H LEU 54 H LEU 54 8.946 2.731 8.933 447 HA LEU 54 HA LEU 54 8.978 1.946 6.223 448 HB2 LEU 54 HB2 LEU 54 7.028 2.585 8.033 449 HB3 LEU 54 HB3 LEU 54 6.993 3.985 6.978 450 HG LEU 54 HG LEU 54 7.020 1.452 5.516 451 HD11 LEU 54 HD11 LEU 54 5.163 0.437 6.276 452 HD12 LEU 54 HD12 LEU 54 4.379 1.956 6.708 453 HD13 LEU 54 HD13 LEU 54 5.580 1.245 7.786 454 HD21 LEU 54 HD21 LEU 54 4.885 3.534 5.391 455 HD22 LEU 54 HD22 LEU 54 5.592 2.568 4.096 456 HD23 LEU 54 HD23 LEU 54 6.502 3.906 4.795 457 H LEU 55 H LEU 55 9.880 4.827 7.878 458 HA LEU 55 HA LEU 55 9.681 6.626 5.701 459 HB2 LEU 55 HB2 LEU 55 10.466 8.191 7.132 460 HB3 LEU 55 HB3 LEU 55 9.996 6.984 8.303 461 HG LEU 55 HG LEU 55 12.704 7.966 7.567 462 HD11 LEU 55 HD11 LEU 55 11.274 8.473 9.655 463 HD12 LEU 55 HD12 LEU 55 12.990 8.118 9.858 464 HD13 LEU 55 HD13 LEU 55 11.785 6.873 10.194 465 HD21 LEU 55 HD21 LEU 55 13.342 5.722 8.978 466 HD22 LEU 55 HD22 LEU 55 13.525 5.904 7.234 467 HD23 LEU 55 HD23 LEU 55 12.093 5.118 7.892 468 H GLU 56 H GLU 56 11.828 4.066 6.320 469 HA GLU 56 HA GLU 56 14.055 5.217 4.877 470 HB2 GLU 56 HB2 GLU 56 13.540 2.740 6.402 471 HB3 GLU 56 HB3 GLU 56 14.688 2.593 5.080 472 HG2 GLU 56 HG2 GLU 56 15.934 4.526 6.055 473 HG3 GLU 56 HG3 GLU 56 14.854 4.440 7.445 474 H GLU 57 H GLU 57 11.260 3.356 4.138 475 HA GLU 57 HA GLU 57 12.360 2.419 1.614 476 HB2 GLU 57 HB2 GLU 57 10.009 1.453 1.337 477 HB3 GLU 57 HB3 GLU 57 10.994 0.790 2.633 478 HG2 GLU 57 HG2 GLU 57 9.800 2.034 4.276 479 HG3 GLU 57 HG3 GLU 57 8.939 2.946 3.036 480 H ILE 58 H ILE 58 10.581 5.076 2.800 481 HA ILE 58 HA ILE 58 9.619 5.737 0.117 482 HB ILE 58 HB ILE 58 9.105 7.419 2.557 483 HG12 ILE 58 HG12 ILE 58 7.629 4.939 1.649 484 HG13 ILE 58 HG13 ILE 58 8.351 5.238 3.224 485 HG21 ILE 58 HG21 ILE 58 8.625 7.964 0.003 486 HG22 ILE 58 HG22 ILE 58 7.524 8.463 1.287 487 HG23 ILE 58 HG23 ILE 58 7.173 7.018 0.337 488 HD11 ILE 58 HD11 ILE 58 6.312 7.186 2.466 489 HD12 ILE 58 HD12 ILE 58 6.540 6.305 3.975 490 HD13 ILE 58 HD13 ILE 58 5.719 5.533 2.619 491 H LYS 59 H LYS 59 12.141 6.375 2.316 492 HA LYS 59 HA LYS 59 12.844 8.948 1.195 493 HB2 LYS 59 HB2 LYS 59 13.675 7.350 3.484 494 HB3 LYS 59 HB3 LYS 59 15.051 8.009 2.615 495 HG2 LYS 59 HG2 LYS 59 14.672 10.071 3.359 496 HG3 LYS 59 HG3 LYS 59 12.944 9.969 3.020 497 HD2 LYS 59 HD2 LYS 59 13.692 8.297 5.264 498 HD3 LYS 59 HD3 LYS 59 14.160 9.977 5.522 499 HE2 LYS 59 HE2 LYS 59 11.602 10.133 4.452 500 HE3 LYS 59 HE3 LYS 59 11.530 8.758 5.552 501 HZ1 LYS 59 HZ1 LYS 59 11.022 10.551 6.895 502 HZ2 LYS 59 HZ2 LYS 59 12.147 11.575 6.157 503 HZ3 LYS 59 HZ3 LYS 59 12.675 10.344 7.190 504 H ASN 60 H ASN 60 13.576 5.578 0.733 505 HA ASN 60 HA ASN 60 15.849 6.154 -0.967 506 HB2 ASN 60 HB2 ASN 60 15.376 4.063 0.659 507 HB3 ASN 60 HB3 ASN 60 14.718 3.415 -0.841 508 HD21 ASN 60 HD21 ASN 60 17.484 3.915 0.981 509 HD22 ASN 60 HD22 ASN 60 18.659 3.516 -0.221 510 H HIS 61 H HIS 61 13.315 7.216 -1.726 511 HA HIS 61 HA HIS 61 13.210 6.372 -4.433 512 HB2 HIS 61 HB2 HIS 61 11.807 4.655 -3.080 513 HB3 HIS 61 HB3 HIS 61 10.636 5.960 -2.933 514 HD1 HIS 61 HD1 HIS 61 12.530 5.631 -6.123 515 HD2 HIS 61 HD2 HIS 61 8.832 4.545 -4.573 516 HE1 HIS 61 HE1 HIS 61 11.152 4.928 -8.104 517 HE2 HIS 61 HE2 HIS 61 8.884 4.378 -7.153 518 H ALA 62 H ALA 62 11.588 8.069 -1.791 519 HA ALA 62 HA ALA 62 11.611 10.539 -3.239 520 HB1 ALA 62 HB1 ALA 62 9.675 10.017 -4.332 521 HB2 ALA 62 HB2 ALA 62 9.001 10.706 -2.855 522 HB3 ALA 62 HB3 ALA 62 9.103 8.956 -3.045 523 H LYS 63 H LYS 63 12.911 10.575 -1.145 524 HA LYS 63 HA LYS 63 11.680 10.596 1.375 525 HB2 LYS 63 HB2 LYS 63 13.674 11.845 2.123 526 HB3 LYS 63 HB3 LYS 63 14.092 10.450 1.138 527 HG2 LYS 63 HG2 LYS 63 15.244 11.738 -0.239 528 HG3 LYS 63 HG3 LYS 63 13.806 12.704 -0.573 529 HD2 LYS 63 HD2 LYS 63 15.060 14.363 0.315 530 HD3 LYS 63 HD3 LYS 63 14.475 13.691 1.839 531 HE2 LYS 63 HE2 LYS 63 16.499 12.867 2.401 532 HE3 LYS 63 HE3 LYS 63 16.889 12.415 0.742 533 HZ1 LYS 63 HZ1 LYS 63 18.327 14.118 0.957 534 HZ2 LYS 63 HZ2 LYS 63 17.433 14.890 2.168 535 HZ3 LYS 63 HZ3 LYS 63 16.979 15.056 0.547 536 H ALA 64 H ALA 64 10.018 11.841 1.915 537 HA ALA 64 HA ALA 64 8.602 13.628 2.064 538 HB1 ALA 64 HB1 ALA 64 9.870 14.551 3.705 539 HB2 ALA 64 HB2 ALA 64 10.042 15.824 2.497 540 HB3 ALA 64 HB3 ALA 64 11.318 14.623 2.701 541 H ILE 65 H ILE 65 8.036 13.335 -0.244 542 HA ILE 65 HA ILE 65 9.223 14.989 -2.236 543 HB ILE 65 HB ILE 65 8.040 12.950 -2.854 544 HG12 ILE 65 HG12 ILE 65 6.317 15.092 -4.022 545 HG13 ILE 65 HG13 ILE 65 8.057 15.191 -4.270 546 HG21 ILE 65 HG21 ILE 65 5.340 14.021 -2.527 547 HG22 ILE 65 HG22 ILE 65 6.173 13.695 -1.007 548 HG23 ILE 65 HG23 ILE 65 5.973 12.408 -2.196 549 HD11 ILE 65 HD11 ILE 65 7.951 12.851 -5.171 550 HD12 ILE 65 HD12 ILE 65 7.149 14.083 -6.145 551 HD13 ILE 65 HD13 ILE 65 6.195 13.001 -5.131 552 H VAL 66 H VAL 66 9.225 17.122 -1.711 553 HA VAL 66 HA VAL 66 8.469 19.209 -1.162 554 HB VAL 66 HB VAL 66 7.775 18.995 -3.514 555 HG11 VAL 66 HG11 VAL 66 6.247 17.230 -3.577 556 HG12 VAL 66 HG12 VAL 66 5.263 18.660 -3.886 557 HG13 VAL 66 HG13 VAL 66 5.259 17.916 -2.288 558 HG21 VAL 66 HG21 VAL 66 7.238 21.125 -3.153 559 HG22 VAL 66 HG22 VAL 66 6.608 20.766 -1.545 560 HG23 VAL 66 HG23 VAL 66 5.569 20.588 -2.959 561 H ALA 67 H ALA 67 7.829 17.459 0.864 562 HA ALA 67 HA ALA 67 5.284 18.586 1.808 563 HB1 ALA 67 HB1 ALA 67 5.906 15.867 2.757 564 HB2 ALA 67 HB2 ALA 67 5.439 16.000 1.061 565 HB3 ALA 67 HB3 ALA 67 4.360 16.595 2.323 566 H ARG 68 H ARG 68 5.229 17.528 4.329 567 HA ARG 68 HA ARG 68 7.538 18.837 5.552 568 HB2 ARG 68 HB2 ARG 68 4.979 17.979 6.895 569 HB3 ARG 68 HB3 ARG 68 6.204 19.063 7.539 570 HG2 ARG 68 HG2 ARG 68 4.830 20.676 6.827 571 HG3 ARG 68 HG3 ARG 68 5.535 20.342 5.244 572 HD2 ARG 68 HD2 ARG 68 3.186 20.342 4.946 573 HD3 ARG 68 HD3 ARG 68 3.694 18.655 4.908 574 HE ARG 68 HE ARG 68 2.453 18.280 6.790 575 HH11 ARG 68 HH11 ARG 68 2.940 21.718 6.441 576 HH12 ARG 68 HH12 ARG 68 1.863 22.128 7.734 577 HH21 ARG 68 HH21 ARG 68 1.037 18.817 8.490 578 HH22 ARG 68 HH22 ARG 68 0.783 20.481 8.898 579 H ASN 69 H ASN 69 5.666 15.883 5.715 580 HA ASN 69 HA ASN 69 7.990 14.364 6.485 581 HB2 ASN 69 HB2 ASN 69 5.623 14.523 8.366 582 HB3 ASN 69 HB3 ASN 69 6.992 13.429 8.536 583 HD21 ASN 69 HD21 ASN 69 5.736 16.441 9.304 584 HD22 ASN 69 HD22 ASN 69 7.165 17.154 9.965 585 H VAL 70 H VAL 70 7.367 11.980 6.767 586 HA VAL 70 HA VAL 70 5.615 11.304 4.567 587 HB VAL 70 HB VAL 70 7.879 10.207 5.003 588 HG11 VAL 70 HG11 VAL 70 6.408 8.325 6.797 589 HG12 VAL 70 HG12 VAL 70 7.159 9.772 7.474 590 HG13 VAL 70 HG13 VAL 70 8.145 8.586 6.618 591 HG21 VAL 70 HG21 VAL 70 5.716 9.379 3.642 592 HG22 VAL 70 HG22 VAL 70 5.908 8.028 4.760 593 HG23 VAL 70 HG23 VAL 70 7.236 8.486 3.693 594 H ASP 71 H ASP 71 5.520 11.307 8.009 595 HA ASP 71 HA ASP 71 3.397 9.416 8.286 596 HB2 ASP 71 HB2 ASP 71 5.164 10.695 10.027 597 HB3 ASP 71 HB3 ASP 71 3.578 11.316 10.472 598 H VAL 72 H VAL 72 3.636 12.861 7.894 599 HA VAL 72 HA VAL 72 0.898 13.420 8.482 600 HB VAL 72 HB VAL 72 2.802 15.111 6.858 601 HG11 VAL 72 HG11 VAL 72 0.857 16.221 6.549 602 HG12 VAL 72 HG12 VAL 72 1.219 16.849 8.157 603 HG13 VAL 72 HG13 VAL 72 0.096 15.503 7.969 604 HG21 VAL 72 HG21 VAL 72 3.830 15.841 8.720 605 HG22 VAL 72 HG22 VAL 72 3.276 14.315 9.408 606 HG23 VAL 72 HG23 VAL 72 2.352 15.792 9.679 607 H HIS 73 H HIS 73 2.655 12.381 5.706 608 HA HIS 73 HA HIS 73 0.676 13.106 3.774 609 HB2 HIS 73 HB2 HIS 73 3.284 11.791 3.776 610 HB3 HIS 73 HB3 HIS 73 2.155 11.052 2.644 611 HD1 HIS 73 HD1 HIS 73 3.499 11.949 0.624 612 HD2 HIS 73 HD2 HIS 73 2.002 14.911 3.125 613 HE1 HIS 73 HE1 HIS 73 3.751 14.100 -0.655 614 HE2 HIS 73 HE2 HIS 73 2.917 15.888 0.912 615 H ILE 74 H ILE 74 1.121 10.509 5.979 616 HA ILE 74 HA ILE 74 -0.456 8.577 4.595 617 HB ILE 74 HB ILE 74 -0.107 8.572 7.573 618 HG12 ILE 74 HG12 ILE 74 2.113 9.040 6.833 619 HG13 ILE 74 HG13 ILE 74 2.047 7.313 7.161 620 HG21 ILE 74 HG21 ILE 74 -0.254 6.226 7.378 621 HG22 ILE 74 HG22 ILE 74 -0.003 6.279 5.633 622 HG23 ILE 74 HG23 ILE 74 -1.510 6.878 6.326 623 HD11 ILE 74 HD11 ILE 74 2.335 8.748 4.584 624 HD12 ILE 74 HD12 ILE 74 1.491 7.200 4.589 625 HD13 ILE 74 HD13 ILE 74 3.151 7.301 5.176 626 H ALA 75 H ALA 75 -1.073 11.075 6.946 627 HA ALA 75 HA ALA 75 -3.738 10.302 7.536 628 HB1 ALA 75 HB1 ALA 75 -3.807 12.840 8.260 629 HB2 ALA 75 HB2 ALA 75 -2.058 12.684 8.094 630 HB3 ALA 75 HB3 ALA 75 -2.935 11.636 9.209 631 H SER 76 H SER 76 -2.298 12.635 5.356 632 HA SER 76 HA SER 76 -4.743 13.652 4.346 633 HB2 SER 76 HB2 SER 76 -1.950 13.641 3.182 634 HB3 SER 76 HB3 SER 76 -3.312 14.479 2.440 635 HG SER 76 HG SER 76 -1.761 15.229 4.531 636 H LEU 77 H LEU 77 -2.887 10.820 3.717 637 HA LEU 77 HA LEU 77 -3.897 10.209 1.159 638 HB2 LEU 77 HB2 LEU 77 -1.920 9.099 2.133 639 HB3 LEU 77 HB3 LEU 77 -2.955 8.328 3.320 640 HG LEU 77 HG LEU 77 -4.103 7.093 1.560 641 HD11 LEU 77 HD11 LEU 77 -4.100 8.411 -0.334 642 HD12 LEU 77 HD12 LEU 77 -2.907 7.179 -0.740 643 HD13 LEU 77 HD13 LEU 77 -2.381 8.775 -0.207 644 HD21 LEU 77 HD21 LEU 77 -1.186 6.905 1.972 645 HD22 LEU 77 HD22 LEU 77 -1.855 5.980 0.628 646 HD23 LEU 77 HD23 LEU 77 -2.456 5.717 2.266 647 H ARG 78 H ARG 78 -5.019 9.658 4.407 648 HA ARG 78 HA ARG 78 -7.063 7.832 3.925 649 HB2 ARG 78 HB2 ARG 78 -6.121 9.138 6.129 650 HB3 ARG 78 HB3 ARG 78 -7.687 9.908 5.916 651 HG2 ARG 78 HG2 ARG 78 -8.806 7.782 6.037 652 HG3 ARG 78 HG3 ARG 78 -7.260 6.934 6.091 653 HD2 ARG 78 HD2 ARG 78 -6.842 7.547 8.260 654 HD3 ARG 78 HD3 ARG 78 -7.811 9.016 8.144 655 HE ARG 78 HE ARG 78 -9.630 7.004 7.927 656 HH11 ARG 78 HH11 ARG 78 -7.173 7.823 10.266 657 HH12 ARG 78 HH12 ARG 78 -8.035 7.132 11.600 658 HH21 ARG 78 HH21 ARG 78 -10.766 6.094 9.679 659 HH22 ARG 78 HH22 ARG 78 -10.075 6.150 11.266 660 H LYS 79 H LYS 79 -6.823 11.169 3.118 661 HA LYS 79 HA LYS 79 -9.655 11.564 2.797 662 HB2 LYS 79 HB2 LYS 79 -7.219 13.213 2.312 663 HB3 LYS 79 HB3 LYS 79 -8.725 13.675 1.531 664 HG2 LYS 79 HG2 LYS 79 -9.762 13.574 3.861 665 HG3 LYS 79 HG3 LYS 79 -8.102 13.542 4.459 666 HD2 LYS 79 HD2 LYS 79 -7.670 15.635 3.180 667 HD3 LYS 79 HD3 LYS 79 -9.386 15.686 2.771 668 HE2 LYS 79 HE2 LYS 79 -9.990 16.370 4.832 669 HE3 LYS 79 HE3 LYS 79 -8.782 15.365 5.632 670 HZ1 LYS 79 HZ1 LYS 79 -7.260 17.009 5.595 671 HZ2 LYS 79 HZ2 LYS 79 -8.623 18.006 5.513 672 HZ3 LYS 79 HZ3 LYS 79 -7.770 17.623 4.103 673 H LYS 80 H LYS 80 -6.931 11.521 0.564 674 HA LYS 80 HA LYS 80 -8.558 11.385 -1.751 675 HB2 LYS 80 HB2 LYS 80 -5.850 11.831 -1.206 676 HB3 LYS 80 HB3 LYS 80 -5.890 10.378 -2.194 677 HG2 LYS 80 HG2 LYS 80 -6.684 11.475 -4.028 678 HG3 LYS 80 HG3 LYS 80 -7.507 12.708 -3.071 679 HD2 LYS 80 HD2 LYS 80 -4.548 12.622 -2.915 680 HD3 LYS 80 HD3 LYS 80 -5.259 13.196 -4.425 681 HE2 LYS 80 HE2 LYS 80 -5.995 15.109 -3.497 682 HE3 LYS 80 HE3 LYS 80 -6.464 14.315 -1.994 683 HZ1 LYS 80 HZ1 LYS 80 -3.954 15.596 -2.711 684 HZ2 LYS 80 HZ2 LYS 80 -3.825 14.179 -1.796 685 HZ3 LYS 80 HZ3 LYS 80 -4.724 15.486 -1.208 686 H LEU 81 H LEU 81 -6.486 9.020 -0.175 687 HA LEU 81 HA LEU 81 -6.954 6.823 -1.770 688 HB2 LEU 81 HB2 LEU 81 -5.297 6.922 0.040 689 HB3 LEU 81 HB3 LEU 81 -6.585 6.853 1.223 690 HG LEU 81 HG LEU 81 -7.058 4.608 0.761 691 HD11 LEU 81 HD11 LEU 81 -5.995 3.397 -1.149 692 HD12 LEU 81 HD12 LEU 81 -5.451 4.959 -1.760 693 HD13 LEU 81 HD13 LEU 81 -7.176 4.618 -1.618 694 HD21 LEU 81 HD21 LEU 81 -5.112 3.563 1.388 695 HD22 LEU 81 HD22 LEU 81 -4.737 5.239 1.786 696 HD23 LEU 81 HD23 LEU 81 -4.115 4.526 0.299 697 H GLY 82 H GLY 82 -8.538 7.185 1.415 698 HA2 GLY 82 HA2 GLY 82 -11.033 7.211 1.388 699 HA3 GLY 82 HA3 GLY 82 -10.921 5.910 0.214 700 H ALA 83 H ALA 83 -11.370 3.993 1.027 701 HA ALA 83 HA ALA 83 -11.385 3.537 3.866 702 HB1 ALA 83 HB1 ALA 83 -13.153 2.430 2.993 703 HB2 ALA 83 HB2 ALA 83 -11.973 1.124 2.888 704 HB3 ALA 83 HB3 ALA 83 -12.336 2.100 1.465 705 H TYR 84 H TYR 84 -8.998 3.241 1.507 706 HA TYR 84 HA TYR 84 -7.694 0.959 2.738 707 HB2 TYR 84 HB2 TYR 84 -6.777 2.719 0.461 708 HB3 TYR 84 HB3 TYR 84 -5.998 1.235 0.983 709 HD1 TYR 84 HD1 TYR 84 -9.336 2.460 -0.179 710 HD2 TYR 84 HD2 TYR 84 -6.499 -0.710 -0.150 711 HE1 TYR 84 HE1 TYR 84 -10.757 1.184 -1.725 712 HE2 TYR 84 HE2 TYR 84 -7.909 -1.991 -1.699 713 HH TYR 84 HH TYR 84 -9.945 -1.016 -3.577 714 H GLY 85 H GLY 85 -7.567 4.434 2.766 715 HA2 GLY 85 HA2 GLY 85 -4.979 4.898 3.673 716 HA3 GLY 85 HA3 GLY 85 -6.373 5.878 4.104 717 H SER 86 H SER 86 -7.673 3.452 5.288 718 HA SER 86 HA SER 86 -6.602 3.775 7.936 719 HB2 SER 86 HB2 SER 86 -9.095 3.475 7.205 720 HB3 SER 86 HB3 SER 86 -8.707 1.755 7.232 721 HG SER 86 HG SER 86 -9.462 3.087 9.257 722 H ARG 87 H ARG 87 -6.079 1.630 5.323 723 HA ARG 87 HA ARG 87 -5.542 -0.787 6.582 724 HB2 ARG 87 HB2 ARG 87 -5.277 0.164 4.030 725 HB3 ARG 87 HB3 ARG 87 -3.601 -0.088 4.494 726 HG2 ARG 87 HG2 ARG 87 -3.860 -2.222 3.971 727 HG3 ARG 87 HG3 ARG 87 -4.945 -2.374 5.352 728 HD2 ARG 87 HD2 ARG 87 -5.935 -1.380 2.705 729 HD3 ARG 87 HD3 ARG 87 -5.791 -3.107 3.028 730 HE ARG 87 HE ARG 87 -7.221 -2.366 5.119 731 HH11 ARG 87 HH11 ARG 87 -7.570 -1.415 1.774 732 HH12 ARG 87 HH12 ARG 87 -9.277 -1.158 1.899 733 HH21 ARG 87 HH21 ARG 87 -9.464 -2.029 5.278 734 HH22 ARG 87 HH22 ARG 87 -10.352 -1.506 3.885 735 H ILE 88 H ILE 88 -3.782 2.183 6.729 736 HA ILE 88 HA ILE 88 -1.350 0.954 7.728 737 HB ILE 88 HB ILE 88 -1.753 3.868 8.097 738 HG12 ILE 88 HG12 ILE 88 -2.841 3.721 5.974 739 HG13 ILE 88 HG13 ILE 88 -1.200 4.276 5.665 740 HG21 ILE 88 HG21 ILE 88 0.500 2.341 6.809 741 HG22 ILE 88 HG22 ILE 88 0.368 2.629 8.543 742 HG23 ILE 88 HG23 ILE 88 0.535 3.990 7.434 743 HD11 ILE 88 HD11 ILE 88 -1.326 1.410 5.546 744 HD12 ILE 88 HD12 ILE 88 -0.820 2.567 4.315 745 HD13 ILE 88 HD13 ILE 88 -2.522 2.135 4.473 746 H VAL 89 H VAL 89 -1.923 -0.096 9.636 747 HA VAL 89 HA VAL 89 -3.424 1.252 11.684 748 HB VAL 89 HB VAL 89 -1.836 -1.298 11.957 749 HG11 VAL 89 HG11 VAL 89 -4.095 -0.096 13.537 750 HG12 VAL 89 HG12 VAL 89 -2.457 -0.451 14.087 751 HG13 VAL 89 HG13 VAL 89 -3.564 -1.770 13.705 752 HG21 VAL 89 HG21 VAL 89 -4.752 -1.051 11.241 753 HG22 VAL 89 HG22 VAL 89 -3.780 -2.520 11.315 754 HG23 VAL 89 HG23 VAL 89 -3.474 -1.324 10.056 755 H THR 90 H THR 90 -2.660 1.637 13.841 756 HA THR 90 HA THR 90 0.226 1.984 14.157 757 HB THR 90 HB THR 90 -0.461 4.152 13.380 758 HG1 THR 90 HG1 THR 90 0.017 5.395 15.232 759 HG21 THR 90 HG21 THR 90 -2.236 5.422 14.168 760 HG22 THR 90 HG22 THR 90 -2.445 4.416 15.602 761 HG23 THR 90 HG23 THR 90 -2.913 3.800 14.016 762 H LEU 91 H LEU 91 0.033 0.207 15.594 763 HA LEU 91 HA LEU 91 -1.658 0.504 17.937 764 HB2 LEU 91 HB2 LEU 91 -0.173 -1.666 16.640 765 HB3 LEU 91 HB3 LEU 91 -0.114 -1.717 18.391 766 HG LEU 91 HG LEU 91 -2.649 -1.563 18.355 767 HD11 LEU 91 HD11 LEU 91 -2.086 -1.928 15.436 768 HD12 LEU 91 HD12 LEU 91 -3.191 -0.802 16.225 769 HD13 LEU 91 HD13 LEU 91 -3.581 -2.521 16.159 770 HD21 LEU 91 HD21 LEU 91 -2.911 -3.916 18.065 771 HD22 LEU 91 HD22 LEU 91 -1.312 -3.638 18.754 772 HD23 LEU 91 HD23 LEU 91 -1.481 -4.006 17.037 773 H ARG 92 H ARG 92 -1.010 1.007 19.956 774 HA ARG 92 HA ARG 92 1.606 2.169 20.279 775 HB2 ARG 92 HB2 ARG 92 -0.948 2.280 21.646 776 HB3 ARG 92 HB3 ARG 92 0.368 2.060 22.792 777 HG2 ARG 92 HG2 ARG 92 1.311 4.091 22.315 778 HG3 ARG 92 HG3 ARG 92 0.639 4.142 20.684 779 HD2 ARG 92 HD2 ARG 92 -1.437 4.853 21.421 780 HD3 ARG 92 HD3 ARG 92 -1.182 4.234 23.052 781 HE ARG 92 HE ARG 92 0.634 6.338 22.398 782 HH11 ARG 92 HH11 ARG 92 -2.625 5.668 23.454 783 HH12 ARG 92 HH12 ARG 92 -2.814 7.195 24.248 784 HH21 ARG 92 HH21 ARG 92 0.386 8.347 23.443 785 HH22 ARG 92 HH22 ARG 92 -1.106 8.716 24.242 786 H GLY 93 H GLY 93 2.606 0.016 19.788 787 HA2 GLY 93 HA2 GLY 93 3.932 -1.042 21.941 788 HA3 GLY 93 HA3 GLY 93 2.501 -2.050 21.770 789 H VAL 94 H VAL 94 2.198 -2.182 19.060 790 HA VAL 94 HA VAL 94 4.472 -3.853 18.318 791 HB VAL 94 HB VAL 94 2.202 -3.592 16.436 792 HG11 VAL 94 HG11 VAL 94 3.880 -5.186 15.935 793 HG12 VAL 94 HG12 VAL 94 2.465 -6.094 16.468 794 HG13 VAL 94 HG13 VAL 94 3.826 -5.858 17.565 795 HG21 VAL 94 HG21 VAL 94 0.695 -3.680 18.136 796 HG22 VAL 94 HG22 VAL 94 1.833 -4.427 19.258 797 HG23 VAL 94 HG23 VAL 94 1.053 -5.402 18.012 798 H GLY 95 H GLY 95 2.748 -0.969 17.292 799 HA2 GLY 95 HA2 GLY 95 4.106 0.807 16.297 800 HA3 GLY 95 HA3 GLY 95 4.931 -0.439 15.375 801 H TYR 96 H TYR 96 4.392 -0.406 13.317 802 HA TYR 96 HA TYR 96 1.668 0.432 12.589 803 HB2 TYR 96 HB2 TYR 96 4.306 1.039 11.503 804 HB3 TYR 96 HB3 TYR 96 3.190 0.484 10.264 805 HD1 TYR 96 HD1 TYR 96 2.576 2.538 13.314 806 HD2 TYR 96 HD2 TYR 96 2.575 2.380 9.062 807 HE1 TYR 96 HE1 TYR 96 1.571 4.781 13.238 808 HE2 TYR 96 HE2 TYR 96 1.572 4.624 8.975 809 HH TYR 96 HH TYR 96 1.512 6.679 10.544 810 H LEU 97 H LEU 97 0.361 -1.149 11.986 811 HA LEU 97 HA LEU 97 1.529 -3.497 10.639 812 HB2 LEU 97 HB2 LEU 97 0.835 -4.125 12.853 813 HB3 LEU 97 HB3 LEU 97 -0.726 -3.369 12.636 814 HG LEU 97 HG LEU 97 -0.508 -5.955 12.501 815 HD11 LEU 97 HD11 LEU 97 -2.457 -6.059 11.215 816 HD12 LEU 97 HD12 LEU 97 -2.014 -4.642 10.267 817 HD13 LEU 97 HD13 LEU 97 -2.489 -4.458 11.954 818 HD21 LEU 97 HD21 LEU 97 1.281 -5.409 10.534 819 HD22 LEU 97 HD22 LEU 97 -0.191 -5.673 9.598 820 HD23 LEU 97 HD23 LEU 97 0.395 -6.925 10.692 821 H PHE 98 H PHE 98 0.667 -4.073 8.741 822 HA PHE 98 HA PHE 98 -1.475 -2.440 7.666 823 HB2 PHE 98 HB2 PHE 98 -0.193 -4.700 6.168 824 HB3 PHE 98 HB3 PHE 98 -0.850 -3.196 5.546 825 HD1 PHE 98 HD1 PHE 98 0.497 -1.215 7.241 826 HD2 PHE 98 HD2 PHE 98 1.997 -4.759 5.426 827 HE1 PHE 98 HE1 PHE 98 2.757 -0.243 7.220 828 HE2 PHE 98 HE2 PHE 98 4.260 -3.794 5.402 829 HZ PHE 98 HZ PHE 98 4.642 -1.533 6.299 830 H SER 99 H SER 99 -3.327 -3.046 8.589 831 HA SER 99 HA SER 99 -4.262 -5.357 9.548 832 HB2 SER 99 HB2 SER 99 -5.671 -3.474 9.709 833 HB3 SER 99 HB3 SER 99 -5.735 -3.268 7.958 834 HG SER 99 HG SER 99 -7.509 -4.457 9.345 835 H ASP 100 H ASP 100 -5.187 -7.220 8.920 836 HA ASP 100 HA ASP 100 -4.436 -8.372 6.459 837 HB2 ASP 100 HB2 ASP 100 -5.666 -9.188 8.918 838 HB3 ASP 100 HB3 ASP 100 -6.558 -9.872 7.566 839 H ASP 101 H ASP 101 -7.096 -6.466 7.346 840 HA ASP 101 HA ASP 101 -9.172 -7.376 5.751 841 HB2 ASP 101 HB2 ASP 101 -8.492 -4.915 7.168 842 HB3 ASP 101 HB3 ASP 101 -9.503 -4.638 5.755 843 H GLY 102 H GLY 102 -7.212 -7.861 3.985 844 HA2 GLY 102 HA2 GLY 102 -7.859 -7.230 1.559 845 HA3 GLY 102 HA3 GLY 102 -7.215 -5.669 2.039 846 H ASP 103 H ASP 103 -6.240 -9.088 2.264 847 HA ASP 103 HA ASP 103 -3.469 -8.456 2.088 848 HB2 ASP 103 HB2 ASP 103 -4.991 -10.691 2.832 849 HB3 ASP 103 HB3 ASP 103 -4.061 -11.209 1.430 850 H LYS 104 H LYS 104 -2.210 -9.975 0.379 851 HA LYS 104 HA LYS 104 -2.523 -8.760 -2.105 852 HB2 LYS 104 HB2 LYS 104 -0.905 -10.451 -2.872 853 HB3 LYS 104 HB3 LYS 104 -0.410 -9.685 -1.378 854 HG2 LYS 104 HG2 LYS 104 -1.527 -11.727 -0.250 855 HG3 LYS 104 HG3 LYS 104 -1.387 -12.469 -1.845 856 HD2 LYS 104 HD2 LYS 104 0.971 -12.276 -1.830 857 HD3 LYS 104 HD3 LYS 104 0.946 -11.190 -0.439 858 HE2 LYS 104 HE2 LYS 104 -0.053 -13.098 0.877 859 HE3 LYS 104 HE3 LYS 104 0.320 -14.133 -0.501 860 HZ1 LYS 104 HZ1 LYS 104 2.510 -14.099 -0.046 861 HZ2 LYS 104 HZ2 LYS 104 1.991 -13.732 1.521 862 HZ3 LYS 104 HZ3 LYS 104 2.505 -12.494 0.490 863 H LYS 105 H LYS 105 -3.218 -9.601 -4.118 864 HA LYS 105 HA LYS 105 -5.424 -11.460 -3.872 865 HB2 LYS 105 HB2 LYS 105 -5.416 -9.156 -5.125 866 HB3 LYS 105 HB3 LYS 105 -4.713 -10.097 -6.433 867 HG2 LYS 105 HG2 LYS 105 -6.935 -10.214 -6.954 868 HG3 LYS 105 HG3 LYS 105 -6.744 -11.680 -5.992 869 HD2 LYS 105 HD2 LYS 105 -7.378 -9.297 -4.416 870 HD3 LYS 105 HD3 LYS 105 -8.634 -9.745 -5.572 871 HE2 LYS 105 HE2 LYS 105 -8.922 -11.862 -4.609 872 HE3 LYS 105 HE3 LYS 105 -7.391 -11.771 -3.740 873 HZ1 LYS 105 HZ1 LYS 105 -9.851 -10.211 -3.168 874 HZ2 LYS 105 HZ2 LYS 105 -8.366 -9.962 -2.397 875 HZ3 LYS 105 HZ3 LYS 105 -9.178 -11.433 -2.210 876 H PHE 106 H PHE 106 -5.026 -13.549 -4.163 877 HA PHE 106 HA PHE 106 -2.702 -14.545 -5.426 878 HB2 PHE 106 HB2 PHE 106 -4.726 -15.585 -3.797 879 HB3 PHE 106 HB3 PHE 106 -4.844 -16.493 -5.300 880 HD1 PHE 106 HD1 PHE 106 -2.372 -15.383 -2.752 881 HD2 PHE 106 HD2 PHE 106 -3.442 -18.292 -5.667 882 HE1 PHE 106 HE1 PHE 106 -0.472 -16.780 -2.049 883 HE2 PHE 106 HE2 PHE 106 -1.545 -19.695 -4.969 884 HZ PHE 106 HZ PHE 106 -0.058 -18.940 -3.158 885 H SER 107 H SER 107 -2.337 -14.387 -7.539 886 HA SER 107 HA SER 107 -4.279 -13.956 -9.507 887 HB2 SER 107 HB2 SER 107 -1.738 -13.559 -9.622 888 HB3 SER 107 HB3 SER 107 -1.621 -15.260 -10.073 889 HG SER 107 HG SER 107 -3.141 -14.736 -11.788 890 H GLN 108 H GLN 108 -5.106 -15.313 -11.144 891 HA GLN 108 HA GLN 108 -6.008 -17.821 -10.285 892 HB2 GLN 108 HB2 GLN 108 -6.016 -16.369 -12.897 893 HB3 GLN 108 HB3 GLN 108 -6.470 -18.067 -12.870 894 HG2 GLN 108 HG2 GLN 108 -7.751 -16.047 -11.062 895 HG3 GLN 108 HG3 GLN 108 -8.335 -16.355 -12.697 896 HE21 GLN 108 HE21 GLN 108 -9.855 -16.750 -10.377 897 HE22 GLN 108 HE22 GLN 108 -10.191 -18.438 -10.227 898 H GLN 109 H GLN 109 -3.860 -17.220 -13.070 899 HA GLN 109 HA GLN 109 -3.004 -19.872 -13.327 900 HB2 GLN 109 HB2 GLN 109 -2.707 -17.663 -14.831 901 HB3 GLN 109 HB3 GLN 109 -1.108 -17.726 -14.101 902 HG2 GLN 109 HG2 GLN 109 -0.691 -19.883 -15.005 903 HG3 GLN 109 HG3 GLN 109 -2.366 -20.050 -15.532 904 HE21 GLN 109 HE21 GLN 109 0.503 -19.790 -16.772 905 HE22 GLN 109 HE22 GLN 109 0.220 -18.761 -18.131 906 H ASP 110 H ASP 110 -1.896 -21.040 -11.913 907 HA ASP 110 HA ASP 110 0.473 -19.901 -10.657 908 HB2 ASP 110 HB2 ASP 110 -1.818 -19.891 -9.208 909 HB3 ASP 110 HB3 ASP 110 -1.196 -21.488 -8.803 910 H THR 111 H THR 111 -0.087 -21.911 -12.729 911 HA THR 111 HA THR 111 0.253 -24.520 -11.735 912 HB THR 111 HB THR 111 1.335 -24.774 -14.157 913 HG1 THR 111 HG1 THR 111 0.499 -23.149 -15.519 914 HG21 THR 111 HG21 THR 111 -0.931 -25.574 -13.363 915 HG22 THR 111 HG22 THR 111 -0.774 -25.198 -15.079 916 HG23 THR 111 HG23 THR 111 -1.570 -24.057 -13.995 917 H LYS 112 H LYS 112 1.956 -25.476 -10.840 918 HA LYS 112 HA LYS 112 4.631 -24.916 -11.681 919 HB2 LYS 112 HB2 LYS 112 4.118 -23.065 -10.057 920 HB3 LYS 112 HB3 LYS 112 3.929 -24.293 -8.813 921 HG2 LYS 112 HG2 LYS 112 6.091 -23.860 -8.414 922 HG3 LYS 112 HG3 LYS 112 6.361 -24.951 -9.775 923 HD2 LYS 112 HD2 LYS 112 6.429 -23.027 -11.294 924 HD3 LYS 112 HD3 LYS 112 6.173 -21.942 -9.926 925 HE2 LYS 112 HE2 LYS 112 8.413 -23.831 -9.644 926 HE3 LYS 112 HE3 LYS 112 8.604 -22.616 -10.907 927 HZ1 LYS 112 HZ1 LYS 112 8.198 -22.182 -8.007 928 HZ2 LYS 112 HZ2 LYS 112 7.977 -20.947 -9.141 929 HZ3 LYS 112 HZ3 LYS 112 9.494 -21.675 -8.970 930 H LEU 113 H LEU 113 5.553 -26.845 -11.762 931 HA LEU 113 HA LEU 113 4.496 -29.155 -10.578 932 HB2 LEU 113 HB2 LEU 113 6.965 -28.448 -12.045 933 HB3 LEU 113 HB3 LEU 113 7.044 -29.896 -11.061 934 HG LEU 113 HG LEU 113 5.070 -30.789 -12.271 935 HD11 LEU 113 HD11 LEU 113 5.454 -28.405 -14.074 936 HD12 LEU 113 HD12 LEU 113 4.125 -28.608 -12.932 937 HD13 LEU 113 HD13 LEU 113 4.298 -29.719 -14.290 938 HD21 LEU 113 HD21 LEU 113 7.525 -31.134 -12.933 939 HD22 LEU 113 HD22 LEU 113 7.179 -30.025 -14.260 940 HD23 LEU 113 HD23 LEU 113 6.282 -31.537 -14.118 941 H SER 114 H SER 114 6.348 -30.606 -9.347 942 HA SER 114 HA SER 114 7.706 -29.173 -7.280 943 HB2 SER 114 HB2 SER 114 5.089 -29.508 -6.730 944 HB3 SER 114 HB3 SER 114 5.715 -31.041 -6.124 945 HG SER 114 HG SER 114 7.168 -29.845 -4.827 946 H LEU 115 H LEU 115 8.909 -30.604 -5.834 947 HA LEU 115 HA LEU 115 10.182 -32.679 -7.190 948 HB2 LEU 115 HB2 LEU 115 10.095 -31.781 -4.335 949 HB3 LEU 115 HB3 LEU 115 10.959 -33.234 -4.773 950 HG LEU 115 HG LEU 115 12.571 -31.508 -4.700 951 HD11 LEU 115 HD11 LEU 115 12.623 -33.039 -6.694 952 HD12 LEU 115 HD12 LEU 115 13.470 -31.505 -6.892 953 HD13 LEU 115 HD13 LEU 115 11.879 -31.734 -7.618 954 HD21 LEU 115 HD21 LEU 115 12.307 -29.354 -5.426 955 HD22 LEU 115 HD22 LEU 115 10.641 -29.748 -5.002 956 HD23 LEU 115 HD23 LEU 115 11.158 -29.802 -6.687 957 H GLU 116 H GLU 116 7.445 -32.673 -5.005 958 HA GLU 116 HA GLU 116 7.326 -35.607 -5.136 959 HB2 GLU 116 HB2 GLU 116 5.708 -35.416 -3.259 960 HB3 GLU 116 HB3 GLU 116 7.296 -34.765 -2.875 961 HG2 GLU 116 HG2 GLU 116 6.466 -32.503 -3.270 962 HG3 GLU 116 HG3 GLU 116 4.874 -33.157 -3.655 Start of MODEL 18 1 H1 HIS 1 H1 HIS 1 5.729 -14.152 -16.300 2 H2 HIS 1 H2 HIS 1 5.145 -13.356 -14.896 3 H3 HIS 1 H3 HIS 1 4.062 -14.221 -15.908 4 HA HIS 1 HA HIS 1 4.914 -16.253 -15.297 5 HB2 HIS 1 HB2 HIS 1 7.297 -14.843 -15.129 6 HB3 HIS 1 HB3 HIS 1 6.993 -15.325 -13.463 7 HD1 HIS 1 HD1 HIS 1 9.298 -16.472 -15.302 8 HD2 HIS 1 HD2 HIS 1 5.662 -18.318 -14.506 9 HE1 HIS 1 HE1 HIS 1 9.691 -18.925 -15.691 10 HE2 HIS 1 HE2 HIS 1 7.455 -20.012 -15.284 11 H SER 2 H SER 2 2.884 -14.655 -14.308 12 HA SER 2 HA SER 2 1.471 -14.471 -12.535 13 HB2 SER 2 HB2 SER 2 2.395 -16.954 -12.316 14 HB3 SER 2 HB3 SER 2 3.125 -16.300 -10.850 15 HG SER 2 HG SER 2 1.009 -15.616 -10.231 16 H VAL 3 H VAL 3 2.123 -12.298 -12.201 17 HA VAL 3 HA VAL 3 3.699 -11.933 -9.743 18 HB VAL 3 HB VAL 3 4.456 -9.719 -10.747 19 HG11 VAL 3 HG11 VAL 3 6.422 -10.687 -11.278 20 HG12 VAL 3 HG12 VAL 3 5.681 -11.818 -12.411 21 HG13 VAL 3 HG13 VAL 3 5.633 -12.146 -10.679 22 HG21 VAL 3 HG21 VAL 3 4.539 -9.617 -13.199 23 HG22 VAL 3 HG22 VAL 3 2.881 -9.623 -12.599 24 HG23 VAL 3 HG23 VAL 3 3.576 -11.091 -13.286 25 HA PRO 4 HA PRO 4 -0.096 -9.843 -8.582 26 HB2 PRO 4 HB2 PRO 4 0.754 -8.995 -6.144 27 HB3 PRO 4 HB3 PRO 4 0.219 -10.646 -6.461 28 HG2 PRO 4 HG2 PRO 4 2.996 -9.546 -6.299 29 HG3 PRO 4 HG3 PRO 4 2.355 -11.066 -5.648 30 HD2 PRO 4 HD2 PRO 4 3.792 -10.959 -7.935 31 HD3 PRO 4 HD3 PRO 4 2.493 -12.140 -7.681 32 H GLU 5 H GLU 5 -0.403 -8.004 -9.728 33 HA GLU 5 HA GLU 5 0.827 -5.583 -8.719 34 HB2 GLU 5 HB2 GLU 5 1.822 -6.845 -11.041 35 HB3 GLU 5 HB3 GLU 5 0.941 -5.421 -11.575 36 HG2 GLU 5 HG2 GLU 5 2.259 -4.008 -10.157 37 HG3 GLU 5 HG3 GLU 5 3.054 -5.407 -9.443 38 H SER 6 H SER 6 -1.786 -6.547 -8.562 39 HA SER 6 HA SER 6 -3.239 -4.288 -9.468 40 HB2 SER 6 HB2 SER 6 -4.605 -5.174 -11.164 41 HB3 SER 6 HB3 SER 6 -2.997 -5.772 -11.573 42 HG SER 6 HG SER 6 -4.750 -7.359 -11.609 43 H ILE 7 H ILE 7 -4.692 -3.949 -7.911 44 HA ILE 7 HA ILE 7 -5.616 -6.259 -6.352 45 HB ILE 7 HB ILE 7 -4.540 -4.596 -4.993 46 HG12 ILE 7 HG12 ILE 7 -7.086 -3.744 -4.031 47 HG13 ILE 7 HG13 ILE 7 -7.266 -5.383 -4.645 48 HG21 ILE 7 HG21 ILE 7 -5.960 -2.760 -6.723 49 HG22 ILE 7 HG22 ILE 7 -4.525 -2.501 -5.732 50 HG23 ILE 7 HG23 ILE 7 -6.130 -2.335 -5.020 51 HD11 ILE 7 HD11 ILE 7 -5.100 -5.805 -3.242 52 HD12 ILE 7 HD12 ILE 7 -6.690 -5.795 -2.482 53 HD13 ILE 7 HD13 ILE 7 -5.649 -4.376 -2.370 54 H ARG 8 H ARG 8 -7.271 -6.931 -7.749 55 HA ARG 8 HA ARG 8 -9.485 -5.048 -8.154 56 HB2 ARG 8 HB2 ARG 8 -8.638 -6.221 -10.154 57 HB3 ARG 8 HB3 ARG 8 -9.007 -7.764 -9.397 58 HG2 ARG 8 HG2 ARG 8 -11.126 -7.671 -10.045 59 HG3 ARG 8 HG3 ARG 8 -11.318 -6.033 -9.419 60 HD2 ARG 8 HD2 ARG 8 -11.407 -5.300 -11.514 61 HD3 ARG 8 HD3 ARG 8 -9.730 -5.800 -11.721 62 HE ARG 8 HE ARG 8 -12.072 -7.110 -12.750 63 HH11 ARG 8 HH11 ARG 8 -8.731 -7.525 -11.829 64 HH12 ARG 8 HH12 ARG 8 -8.494 -8.911 -12.839 65 HH21 ARG 8 HH21 ARG 8 -11.762 -8.933 -14.080 66 HH22 ARG 8 HH22 ARG 8 -10.215 -9.710 -14.117 67 H PHE 9 H PHE 9 -9.807 -5.332 -5.757 68 HA PHE 9 HA PHE 9 -11.003 -7.846 -4.949 69 HB2 PHE 9 HB2 PHE 9 -11.089 -6.907 -2.731 70 HB3 PHE 9 HB3 PHE 9 -9.513 -6.534 -3.424 71 HD1 PHE 9 HD1 PHE 9 -9.001 -4.249 -4.167 72 HD2 PHE 9 HD2 PHE 9 -12.628 -5.190 -2.153 73 HE1 PHE 9 HE1 PHE 9 -9.341 -1.864 -3.678 74 HE2 PHE 9 HE2 PHE 9 -12.979 -2.805 -1.662 75 HZ PHE 9 HZ PHE 9 -11.335 -1.138 -2.424 76 H GLY 10 H GLY 10 -13.037 -8.262 -5.490 77 HA2 GLY 10 HA2 GLY 10 -15.319 -8.017 -5.655 78 HA3 GLY 10 HA3 GLY 10 -15.165 -6.523 -4.743 79 HA PRO 11 HA PRO 11 -16.506 -5.227 -8.936 80 HB2 PRO 11 HB2 PRO 11 -17.906 -3.063 -8.099 81 HB3 PRO 11 HB3 PRO 11 -18.580 -4.697 -8.094 82 HG2 PRO 11 HG2 PRO 11 -17.393 -3.131 -5.834 83 HG3 PRO 11 HG3 PRO 11 -18.861 -4.126 -5.855 84 HD2 PRO 11 HD2 PRO 11 -16.511 -5.016 -4.842 85 HD3 PRO 11 HD3 PRO 11 -17.681 -6.094 -5.630 86 H ASN 12 H ASN 12 -14.536 -3.867 -6.521 87 HA ASN 12 HA ASN 12 -13.857 -1.541 -8.172 88 HB2 ASN 12 HB2 ASN 12 -13.662 -2.180 -5.288 89 HB3 ASN 12 HB3 ASN 12 -12.332 -1.238 -5.955 90 HD21 ASN 12 HD21 ASN 12 -15.758 -1.323 -5.333 91 HD22 ASN 12 HD22 ASN 12 -16.034 0.373 -5.515 92 H VAL 13 H VAL 13 -11.458 -0.983 -8.157 93 HA VAL 13 HA VAL 13 -9.545 -3.075 -7.920 94 HB VAL 13 HB VAL 13 -10.635 -3.850 -9.982 95 HG11 VAL 13 HG11 VAL 13 -9.729 -1.273 -11.250 96 HG12 VAL 13 HG12 VAL 13 -11.381 -1.570 -10.708 97 HG13 VAL 13 HG13 VAL 13 -10.680 -2.563 -11.986 98 HG21 VAL 13 HG21 VAL 13 -7.902 -2.702 -10.538 99 HG22 VAL 13 HG22 VAL 13 -8.649 -4.088 -11.332 100 HG23 VAL 13 HG23 VAL 13 -8.208 -4.180 -9.627 101 H PHE 14 H PHE 14 -7.601 -2.157 -7.597 102 HA PHE 14 HA PHE 14 -7.239 0.614 -8.533 103 HB2 PHE 14 HB2 PHE 14 -7.449 0.146 -5.991 104 HB3 PHE 14 HB3 PHE 14 -5.820 -0.505 -6.132 105 HD1 PHE 14 HD1 PHE 14 -4.257 1.165 -7.646 106 HD2 PHE 14 HD2 PHE 14 -7.550 2.281 -5.195 107 HE1 PHE 14 HE1 PHE 14 -3.334 3.432 -7.445 108 HE2 PHE 14 HE2 PHE 14 -6.632 4.555 -4.991 109 HZ PHE 14 HZ PHE 14 -4.521 5.132 -6.120 110 H TYR 15 H TYR 15 -5.736 0.835 -10.020 111 HA TYR 15 HA TYR 15 -3.852 -1.269 -10.575 112 HB2 TYR 15 HB2 TYR 15 -4.224 1.473 -11.795 113 HB3 TYR 15 HB3 TYR 15 -3.091 0.266 -12.393 114 HD1 TYR 15 HD1 TYR 15 -4.130 -2.047 -13.026 115 HD2 TYR 15 HD2 TYR 15 -6.370 1.551 -12.661 116 HE1 TYR 15 HE1 TYR 15 -5.906 -3.018 -14.423 117 HE2 TYR 15 HE2 TYR 15 -8.152 0.591 -14.056 118 HH TYR 15 HH TYR 15 -8.251 -2.737 -14.879 119 H VAL 16 H VAL 16 -1.986 -1.487 -9.562 120 HA VAL 16 HA VAL 16 -0.932 0.462 -7.802 121 HB VAL 16 HB VAL 16 1.134 -1.072 -7.852 122 HG11 VAL 16 HG11 VAL 16 -0.570 -2.965 -6.843 123 HG12 VAL 16 HG12 VAL 16 -1.539 -1.494 -6.756 124 HG13 VAL 16 HG13 VAL 16 0.036 -1.561 -5.965 125 HG21 VAL 16 HG21 VAL 16 0.368 -2.036 -10.115 126 HG22 VAL 16 HG22 VAL 16 -0.731 -3.025 -9.153 127 HG23 VAL 16 HG23 VAL 16 1.011 -3.146 -8.905 128 H LEU 17 H LEU 17 -0.753 0.241 -11.164 129 HA LEU 17 HA LEU 17 1.697 1.875 -11.202 130 HB2 LEU 17 HB2 LEU 17 0.688 -0.253 -13.005 131 HB3 LEU 17 HB3 LEU 17 1.518 1.097 -13.755 132 HG LEU 17 HG LEU 17 3.031 -0.783 -13.324 133 HD11 LEU 17 HD11 LEU 17 3.393 1.905 -12.216 134 HD12 LEU 17 HD12 LEU 17 4.412 0.981 -13.318 135 HD13 LEU 17 HD13 LEU 17 4.504 0.692 -11.581 136 HD21 LEU 17 HD21 LEU 17 3.603 -1.438 -11.064 137 HD22 LEU 17 HD22 LEU 17 1.875 -1.664 -11.338 138 HD23 LEU 17 HD23 LEU 17 2.447 -0.278 -10.409 139 H LYS 18 H LYS 18 -1.663 1.805 -11.914 140 HA LYS 18 HA LYS 18 -1.497 4.047 -13.764 141 HB2 LYS 18 HB2 LYS 18 -3.209 1.953 -13.656 142 HB3 LYS 18 HB3 LYS 18 -4.143 3.167 -12.793 143 HG2 LYS 18 HG2 LYS 18 -4.395 4.489 -14.636 144 HG3 LYS 18 HG3 LYS 18 -2.900 3.923 -15.382 145 HD2 LYS 18 HD2 LYS 18 -3.964 1.765 -15.858 146 HD3 LYS 18 HD3 LYS 18 -5.460 2.344 -15.123 147 HE2 LYS 18 HE2 LYS 18 -4.703 4.278 -17.021 148 HE3 LYS 18 HE3 LYS 18 -4.489 2.710 -17.797 149 HZ1 LYS 18 HZ1 LYS 18 -6.770 3.850 -17.918 150 HZ2 LYS 18 HZ2 LYS 18 -6.969 3.320 -16.324 151 HZ3 LYS 18 HZ3 LYS 18 -6.716 2.196 -17.562 152 H LEU 19 H LEU 19 -2.359 3.387 -10.435 153 HA LEU 19 HA LEU 19 -2.694 4.777 -8.664 154 HB2 LEU 19 HB2 LEU 19 -2.143 7.146 -10.424 155 HB3 LEU 19 HB3 LEU 19 -1.865 6.974 -8.701 156 HG LEU 19 HG LEU 19 -0.319 5.451 -10.796 157 HD11 LEU 19 HD11 LEU 19 0.225 7.709 -11.180 158 HD12 LEU 19 HD12 LEU 19 1.516 7.074 -10.160 159 HD13 LEU 19 HD13 LEU 19 0.250 8.078 -9.455 160 HD21 LEU 19 HD21 LEU 19 0.233 4.254 -8.988 161 HD22 LEU 19 HD22 LEU 19 -0.406 5.462 -7.874 162 HD23 LEU 19 HD23 LEU 19 1.215 5.649 -8.542 163 H THR 20 H THR 20 -4.897 3.929 -10.026 164 HA THR 20 HA THR 20 -6.820 5.925 -9.318 165 HB THR 20 HB THR 20 -6.550 5.178 -12.237 166 HG1 THR 20 HG1 THR 20 -5.185 6.798 -12.031 167 HG21 THR 20 HG21 THR 20 -8.331 7.366 -11.659 168 HG22 THR 20 HG22 THR 20 -8.873 5.873 -10.893 169 HG23 THR 20 HG23 THR 20 -8.595 5.921 -12.634 170 H VAL 21 H VAL 21 -8.441 4.822 -8.422 171 HA VAL 21 HA VAL 21 -8.741 1.997 -8.997 172 HB VAL 21 HB VAL 21 -8.825 2.738 -6.667 173 HG11 VAL 21 HG11 VAL 21 -9.942 4.535 -6.018 174 HG12 VAL 21 HG12 VAL 21 -11.461 3.834 -6.574 175 HG13 VAL 21 HG13 VAL 21 -10.469 4.781 -7.682 176 HG21 VAL 21 HG21 VAL 21 -11.346 1.537 -7.784 177 HG22 VAL 21 HG22 VAL 21 -11.016 1.644 -6.055 178 HG23 VAL 21 HG23 VAL 21 -9.951 0.702 -7.099 179 H GLU 22 H GLU 22 -10.133 1.194 -10.413 180 HA GLU 22 HA GLU 22 -11.979 2.898 -11.794 181 HB2 GLU 22 HB2 GLU 22 -10.626 0.702 -12.543 182 HB3 GLU 22 HB3 GLU 22 -12.157 -0.047 -12.114 183 HG2 GLU 22 HG2 GLU 22 -13.337 1.274 -13.704 184 HG3 GLU 22 HG3 GLU 22 -11.915 2.269 -14.014 185 H THR 23 H THR 23 -13.464 3.585 -10.240 186 HA THR 23 HA THR 23 -15.074 1.563 -8.888 187 HB THR 23 HB THR 23 -15.864 4.358 -8.516 188 HG1 THR 23 HG1 THR 23 -13.965 4.884 -7.344 189 HG21 THR 23 HG21 THR 23 -14.907 3.361 -6.123 190 HG22 THR 23 HG22 THR 23 -15.587 1.956 -6.943 191 HG23 THR 23 HG23 THR 23 -16.585 3.383 -6.666 192 HA PRO 24 HA PRO 24 -18.357 1.820 -11.839 193 HB2 PRO 24 HB2 PRO 24 -20.437 0.998 -10.325 194 HB3 PRO 24 HB3 PRO 24 -19.159 -0.098 -10.855 195 HG2 PRO 24 HG2 PRO 24 -19.515 1.257 -8.215 196 HG3 PRO 24 HG3 PRO 24 -19.054 -0.421 -8.559 197 HD2 PRO 24 HD2 PRO 24 -17.258 1.498 -7.913 198 HD3 PRO 24 HD3 PRO 24 -16.861 0.136 -8.973 199 H GLU 25 H GLU 25 -18.191 3.819 -9.092 200 HA GLU 25 HA GLU 25 -20.396 5.475 -10.128 201 HB2 GLU 25 HB2 GLU 25 -20.400 4.293 -7.685 202 HB3 GLU 25 HB3 GLU 25 -19.637 5.828 -7.296 203 HG2 GLU 25 HG2 GLU 25 -21.524 7.012 -7.638 204 HG3 GLU 25 HG3 GLU 25 -22.070 5.972 -8.952 205 H GLY 26 H GLY 26 -17.547 5.524 -10.823 206 HA2 GLY 26 HA2 GLY 26 -16.630 7.717 -11.511 207 HA3 GLY 26 HA3 GLY 26 -16.916 8.248 -9.861 208 H SER 27 H SER 27 -14.495 7.693 -11.792 209 HA SER 27 HA SER 27 -12.883 5.821 -10.364 210 HB2 SER 27 HB2 SER 27 -11.013 6.935 -11.744 211 HB3 SER 27 HB3 SER 27 -12.293 6.104 -12.627 212 HG SER 27 HG SER 27 -12.219 8.003 -13.632 213 H VAL 28 H VAL 28 -10.662 6.544 -9.528 214 HA VAL 28 HA VAL 28 -10.970 8.992 -7.913 215 HB VAL 28 HB VAL 28 -9.646 6.428 -7.019 216 HG11 VAL 28 HG11 VAL 28 -10.000 9.116 -5.753 217 HG12 VAL 28 HG12 VAL 28 -8.551 8.119 -5.870 218 HG13 VAL 28 HG13 VAL 28 -9.846 7.665 -4.763 219 HG21 VAL 28 HG21 VAL 28 -12.337 7.610 -6.362 220 HG22 VAL 28 HG22 VAL 28 -11.566 6.349 -5.400 221 HG23 VAL 28 HG23 VAL 28 -11.991 6.037 -7.082 222 H HIS 29 H HIS 29 -8.966 9.990 -7.219 223 HA HIS 29 HA HIS 29 -6.608 9.285 -8.813 224 HB2 HIS 29 HB2 HIS 29 -7.850 11.090 -9.994 225 HB3 HIS 29 HB3 HIS 29 -7.683 12.103 -8.564 226 HD1 HIS 29 HD1 HIS 29 -5.394 10.253 -10.982 227 HD2 HIS 29 HD2 HIS 29 -5.496 13.690 -8.648 228 HE1 HIS 29 HE1 HIS 29 -3.264 11.484 -11.504 229 HE2 HIS 29 HE2 HIS 29 -3.313 13.523 -10.025 230 H LEU 30 H LEU 30 -4.604 10.158 -7.967 231 HA LEU 30 HA LEU 30 -4.496 11.555 -5.497 232 HB2 LEU 30 HB2 LEU 30 -3.365 9.488 -4.339 233 HB3 LEU 30 HB3 LEU 30 -5.102 9.716 -4.277 234 HG LEU 30 HG LEU 30 -5.431 8.083 -6.036 235 HD11 LEU 30 HD11 LEU 30 -3.208 6.740 -6.575 236 HD12 LEU 30 HD12 LEU 30 -2.488 8.324 -6.289 237 HD13 LEU 30 HD13 LEU 30 -3.724 8.129 -7.532 238 HD21 LEU 30 HD21 LEU 30 -3.846 6.234 -4.713 239 HD22 LEU 30 HD22 LEU 30 -5.501 6.684 -4.308 240 HD23 LEU 30 HD23 LEU 30 -4.149 7.485 -3.508 241 H THR 31 H THR 31 -2.245 11.637 -4.615 242 HA THR 31 HA THR 31 -0.389 11.996 -6.757 243 HB THR 31 HB THR 31 1.165 12.740 -5.041 244 HG1 THR 31 HG1 THR 31 0.914 12.284 -2.972 245 HG21 THR 31 HG21 THR 31 -1.612 13.722 -4.981 246 HG22 THR 31 HG22 THR 31 -0.104 14.579 -5.304 247 HG23 THR 31 HG23 THR 31 -0.570 14.209 -3.644 248 HA PRO 32 HA PRO 32 1.322 7.926 -6.807 249 HB2 PRO 32 HB2 PRO 32 3.719 8.446 -7.975 250 HB3 PRO 32 HB3 PRO 32 2.194 8.434 -8.866 251 HG2 PRO 32 HG2 PRO 32 3.734 10.760 -7.781 252 HG3 PRO 32 HG3 PRO 32 2.932 10.585 -9.353 253 HD2 PRO 32 HD2 PRO 32 1.822 11.956 -7.302 254 HD3 PRO 32 HD3 PRO 32 0.848 11.056 -8.483 255 H SER 33 H SER 33 2.861 10.510 -5.119 256 HA SER 33 HA SER 33 4.930 8.837 -4.014 257 HB2 SER 33 HB2 SER 33 5.366 11.234 -4.363 258 HB3 SER 33 HB3 SER 33 4.073 11.634 -3.232 259 HG SER 33 HG SER 33 5.344 11.171 -1.608 260 H GLU 34 H GLU 34 1.822 10.059 -3.035 261 HA GLU 34 HA GLU 34 2.089 8.787 -0.436 262 HB2 GLU 34 HB2 GLU 34 0.308 10.816 -1.604 263 HB3 GLU 34 HB3 GLU 34 -0.505 9.669 -0.553 264 HG2 GLU 34 HG2 GLU 34 1.692 11.589 0.117 265 HG3 GLU 34 HG3 GLU 34 0.087 11.456 0.831 266 H SER 35 H SER 35 0.502 8.423 -3.499 267 HA SER 35 HA SER 35 -1.064 6.163 -2.647 268 HB2 SER 35 HB2 SER 35 -1.938 6.115 -4.797 269 HB3 SER 35 HB3 SER 35 -1.492 7.813 -4.661 270 HG SER 35 HG SER 35 -0.048 5.744 -5.954 271 H GLY 36 H GLY 36 2.148 6.810 -3.595 272 HA2 GLY 36 HA2 GLY 36 2.838 4.295 -4.704 273 HA3 GLY 36 HA3 GLY 36 3.956 5.470 -4.037 274 H ILE 37 H ILE 37 2.498 5.503 -1.470 275 HA ILE 37 HA ILE 37 3.974 3.458 -0.161 276 HB ILE 37 HB ILE 37 1.658 4.734 1.217 277 HG12 ILE 37 HG12 ILE 37 2.440 6.679 0.135 278 HG13 ILE 37 HG13 ILE 37 3.224 6.708 1.709 279 HG21 ILE 37 HG21 ILE 37 4.408 3.812 1.938 280 HG22 ILE 37 HG22 ILE 37 2.854 3.356 2.636 281 HG23 ILE 37 HG23 ILE 37 3.542 4.944 2.978 282 HD11 ILE 37 HD11 ILE 37 4.974 7.242 0.363 283 HD12 ILE 37 HD12 ILE 37 4.383 6.269 -0.984 284 HD13 ILE 37 HD13 ILE 37 5.144 5.487 0.399 285 H LEU 38 H LEU 38 0.609 3.868 -1.014 286 HA LEU 38 HA LEU 38 -0.353 1.509 0.216 287 HB2 LEU 38 HB2 LEU 38 -1.962 3.145 -0.346 288 HB3 LEU 38 HB3 LEU 38 -1.386 3.265 -1.997 289 HG LEU 38 HG LEU 38 -2.393 0.600 -1.306 290 HD11 LEU 38 HD11 LEU 38 -4.188 3.004 -1.129 291 HD12 LEU 38 HD12 LEU 38 -3.990 1.696 0.038 292 HD13 LEU 38 HD13 LEU 38 -4.787 1.388 -1.505 293 HD21 LEU 38 HD21 LEU 38 -2.194 0.748 -3.545 294 HD22 LEU 38 HD22 LEU 38 -2.383 2.501 -3.553 295 HD23 LEU 38 HD23 LEU 38 -3.803 1.462 -3.441 296 H LYS 39 H LYS 39 1.501 2.095 -2.586 297 HA LYS 39 HA LYS 39 0.768 -0.241 -4.045 298 HB2 LYS 39 HB2 LYS 39 2.486 2.032 -4.421 299 HB3 LYS 39 HB3 LYS 39 3.361 0.559 -4.811 300 HG2 LYS 39 HG2 LYS 39 2.438 1.108 -6.838 301 HG3 LYS 39 HG3 LYS 39 1.239 -0.016 -6.196 302 HD2 LYS 39 HD2 LYS 39 1.057 2.979 -5.917 303 HD3 LYS 39 HD3 LYS 39 0.281 2.061 -7.209 304 HE2 LYS 39 HE2 LYS 39 -0.632 0.671 -5.135 305 HE3 LYS 39 HE3 LYS 39 -0.374 2.212 -4.319 306 HZ1 LYS 39 HZ1 LYS 39 -1.741 2.376 -6.868 307 HZ2 LYS 39 HZ2 LYS 39 -2.070 3.165 -5.409 308 HZ3 LYS 39 HZ3 LYS 39 -2.599 1.577 -5.648 309 H ARG 40 H ARG 40 3.564 0.655 -2.092 310 HA ARG 40 HA ARG 40 4.797 -1.893 -2.241 311 HB2 ARG 40 HB2 ARG 40 5.306 0.644 -0.943 312 HB3 ARG 40 HB3 ARG 40 5.659 -0.693 0.142 313 HG2 ARG 40 HG2 ARG 40 7.114 -1.675 -1.587 314 HG3 ARG 40 HG3 ARG 40 6.805 -0.271 -2.610 315 HD2 ARG 40 HD2 ARG 40 7.638 0.505 0.052 316 HD3 ARG 40 HD3 ARG 40 8.823 -0.549 -0.717 317 HE ARG 40 HE ARG 40 8.165 2.152 -1.452 318 HH11 ARG 40 HH11 ARG 40 9.498 -0.876 -2.563 319 HH12 ARG 40 HH12 ARG 40 10.423 -0.147 -3.831 320 HH21 ARG 40 HH21 ARG 40 9.381 3.112 -3.121 321 HH22 ARG 40 HH22 ARG 40 10.357 2.117 -4.149 322 H LEU 41 H LEU 41 2.205 -0.672 -0.360 323 HA LEU 41 HA LEU 41 2.450 -2.673 1.709 324 HB2 LEU 41 HB2 LEU 41 0.864 -0.274 1.251 325 HB3 LEU 41 HB3 LEU 41 -0.100 -1.591 1.893 326 HG LEU 41 HG LEU 41 1.865 -1.759 3.640 327 HD11 LEU 41 HD11 LEU 41 2.019 1.112 2.739 328 HD12 LEU 41 HD12 LEU 41 3.294 -0.099 2.599 329 HD13 LEU 41 HD13 LEU 41 2.771 0.451 4.191 330 HD21 LEU 41 HD21 LEU 41 -0.435 -1.320 4.224 331 HD22 LEU 41 HD22 LEU 41 -0.283 0.353 3.688 332 HD23 LEU 41 HD23 LEU 41 0.619 -0.207 5.096 333 H LEU 42 H LEU 42 0.943 -2.360 -1.364 334 HA LEU 42 HA LEU 42 -1.006 -4.423 -0.895 335 HB2 LEU 42 HB2 LEU 42 -0.691 -2.411 -2.788 336 HB3 LEU 42 HB3 LEU 42 -0.431 -3.893 -3.689 337 HG LEU 42 HG LEU 42 -2.753 -3.266 -3.847 338 HD11 LEU 42 HD11 LEU 42 -3.273 -5.416 -3.800 339 HD12 LEU 42 HD12 LEU 42 -3.380 -5.374 -2.042 340 HD13 LEU 42 HD13 LEU 42 -1.844 -5.740 -2.825 341 HD21 LEU 42 HD21 LEU 42 -2.762 -3.320 -0.831 342 HD22 LEU 42 HD22 LEU 42 -4.187 -3.138 -1.856 343 HD23 LEU 42 HD23 LEU 42 -2.936 -1.893 -1.854 344 H ILE 43 H ILE 43 2.259 -4.218 -2.037 345 HA ILE 43 HA ILE 43 2.281 -6.800 -3.284 346 HB ILE 43 HB ILE 43 4.733 -5.374 -2.281 347 HG12 ILE 43 HG12 ILE 43 3.357 -3.781 -3.584 348 HG13 ILE 43 HG13 ILE 43 4.850 -4.197 -4.414 349 HG21 ILE 43 HG21 ILE 43 4.600 -7.797 -3.300 350 HG22 ILE 43 HG22 ILE 43 5.915 -6.702 -3.728 351 HG23 ILE 43 HG23 ILE 43 4.549 -6.913 -4.825 352 HD11 ILE 43 HD11 ILE 43 3.660 -4.723 -6.197 353 HD12 ILE 43 HD12 ILE 43 2.159 -4.439 -5.316 354 HD13 ILE 43 HD13 ILE 43 2.912 -6.034 -5.285 355 H ASN 44 H ASN 44 2.595 -5.630 -0.051 356 HA ASN 44 HA ASN 44 3.711 -8.182 0.856 357 HB2 ASN 44 HB2 ASN 44 3.342 -5.518 2.219 358 HB3 ASN 44 HB3 ASN 44 3.800 -6.974 3.098 359 HD21 ASN 44 HD21 ASN 44 5.735 -5.879 3.674 360 HD22 ASN 44 HD22 ASN 44 7.051 -5.777 2.559 361 H LYS 45 H LYS 45 0.828 -6.288 0.853 362 HA LYS 45 HA LYS 45 -1.195 -6.502 1.939 363 HB2 LYS 45 HB2 LYS 45 -2.345 -8.542 1.229 364 HB3 LYS 45 HB3 LYS 45 -1.405 -7.841 -0.079 365 HG2 LYS 45 HG2 LYS 45 0.035 -9.852 1.479 366 HG3 LYS 45 HG3 LYS 45 -1.391 -10.462 0.641 367 HD2 LYS 45 HD2 LYS 45 0.768 -8.831 -0.688 368 HD3 LYS 45 HD3 LYS 45 0.737 -10.595 -0.675 369 HE2 LYS 45 HE2 LYS 45 -1.798 -9.932 -1.517 370 HE3 LYS 45 HE3 LYS 45 -0.792 -8.705 -2.284 371 HZ1 LYS 45 HZ1 LYS 45 -0.862 -10.483 -3.779 372 HZ2 LYS 45 HZ2 LYS 45 -0.627 -11.644 -2.572 373 HZ3 LYS 45 HZ3 LYS 45 0.647 -10.629 -3.028 374 H GLY 46 H GLY 46 -0.082 -6.334 4.085 375 HA2 GLY 46 HA2 GLY 46 -0.541 -6.967 6.300 376 HA3 GLY 46 HA3 GLY 46 -0.941 -8.580 5.734 377 H GLN 47 H GLN 47 1.561 -6.458 6.830 378 HA GLN 47 HA GLN 47 3.270 -8.736 7.368 379 HB2 GLN 47 HB2 GLN 47 3.743 -6.992 5.128 380 HB3 GLN 47 HB3 GLN 47 5.050 -6.828 6.292 381 HG2 GLN 47 HG2 GLN 47 4.137 -9.545 5.471 382 HG3 GLN 47 HG3 GLN 47 5.186 -8.609 4.407 383 HE21 GLN 47 HE21 GLN 47 7.182 -9.315 4.591 384 HE22 GLN 47 HE22 GLN 47 7.994 -9.710 6.064 385 H LEU 48 H LEU 48 5.299 -7.980 8.568 386 HA LEU 48 HA LEU 48 4.459 -5.966 10.522 387 HB2 LEU 48 HB2 LEU 48 5.925 -8.460 10.641 388 HB3 LEU 48 HB3 LEU 48 6.826 -7.166 11.407 389 HG LEU 48 HG LEU 48 4.449 -6.732 12.554 390 HD11 LEU 48 HD11 LEU 48 3.055 -8.497 12.692 391 HD12 LEU 48 HD12 LEU 48 4.366 -9.676 12.651 392 HD13 LEU 48 HD13 LEU 48 3.800 -8.934 11.155 393 HD21 LEU 48 HD21 LEU 48 6.918 -7.918 13.280 394 HD22 LEU 48 HD22 LEU 48 5.629 -8.862 14.027 395 HD23 LEU 48 HD23 LEU 48 5.734 -7.126 14.319 396 H CYS 49 H CYS 49 5.051 -3.999 9.755 397 HA CYS 49 HA CYS 49 7.893 -3.445 9.620 398 HB2 CYS 49 HB2 CYS 49 6.056 -2.937 7.273 399 HB3 CYS 49 HB3 CYS 49 7.661 -2.234 7.439 400 HG CYS 49 HG CYS 49 7.040 -5.092 6.585 401 H LEU 50 H LEU 50 7.090 -2.403 11.613 402 HA LEU 50 HA LEU 50 5.268 -0.445 11.947 403 HB2 LEU 50 HB2 LEU 50 7.154 0.691 13.422 404 HB3 LEU 50 HB3 LEU 50 6.338 -0.778 13.908 405 HG LEU 50 HG LEU 50 8.919 -0.586 14.135 406 HD11 LEU 50 HD11 LEU 50 8.460 -2.670 14.731 407 HD12 LEU 50 HD12 LEU 50 8.810 -3.136 13.066 408 HD13 LEU 50 HD13 LEU 50 7.150 -2.798 13.558 409 HD21 LEU 50 HD21 LEU 50 8.997 -1.750 11.403 410 HD22 LEU 50 HD22 LEU 50 10.254 -0.921 12.319 411 HD23 LEU 50 HD23 LEU 50 8.958 0.005 11.565 412 H ARG 51 H ARG 51 5.571 1.948 12.165 413 HA ARG 51 HA ARG 51 5.801 3.200 9.785 414 HB2 ARG 51 HB2 ARG 51 6.491 5.277 11.216 415 HB3 ARG 51 HB3 ARG 51 4.900 4.555 11.406 416 HG2 ARG 51 HG2 ARG 51 5.281 4.062 13.536 417 HG3 ARG 51 HG3 ARG 51 6.839 3.324 13.163 418 HD2 ARG 51 HD2 ARG 51 7.997 5.287 13.485 419 HD3 ARG 51 HD3 ARG 51 6.596 6.295 13.128 420 HE ARG 51 HE ARG 51 7.390 5.306 15.681 421 HH11 ARG 51 HH11 ARG 51 4.611 6.191 13.765 422 HH12 ARG 51 HH12 ARG 51 3.627 6.569 15.139 423 HH21 ARG 51 HH21 ARG 51 6.097 5.801 17.490 424 HH22 ARG 51 HH22 ARG 51 4.471 6.348 17.253 425 H LYS 52 H LYS 52 8.434 2.859 12.099 426 HA LYS 52 HA LYS 52 10.379 4.276 10.713 427 HB2 LYS 52 HB2 LYS 52 10.449 3.254 13.089 428 HB3 LYS 52 HB3 LYS 52 11.060 1.815 12.285 429 HG2 LYS 52 HG2 LYS 52 13.065 2.762 11.803 430 HG3 LYS 52 HG3 LYS 52 12.391 4.387 11.664 431 HD2 LYS 52 HD2 LYS 52 12.462 4.753 13.945 432 HD3 LYS 52 HD3 LYS 52 12.443 3.030 14.326 433 HE2 LYS 52 HE2 LYS 52 14.770 3.310 12.895 434 HE3 LYS 52 HE3 LYS 52 14.694 4.816 13.808 435 HZ1 LYS 52 HZ1 LYS 52 14.209 2.267 15.189 436 HZ2 LYS 52 HZ2 LYS 52 14.822 3.719 15.803 437 HZ3 LYS 52 HZ3 LYS 52 15.799 2.730 14.841 438 H HIS 53 H HIS 53 9.033 1.228 10.019 439 HA HIS 53 HA HIS 53 11.213 0.456 8.269 440 HB2 HIS 53 HB2 HIS 53 9.881 -1.138 9.720 441 HB3 HIS 53 HB3 HIS 53 8.548 -0.879 8.606 442 HD1 HIS 53 HD1 HIS 53 11.336 -3.064 9.171 443 HD2 HIS 53 HD2 HIS 53 9.362 -1.609 5.817 444 HE1 HIS 53 HE1 HIS 53 11.965 -4.617 7.295 445 HE2 HIS 53 HE2 HIS 53 10.693 -3.764 5.294 446 H LEU 54 H LEU 54 7.997 1.751 8.170 447 HA LEU 54 HA LEU 54 7.608 1.478 5.370 448 HB2 LEU 54 HB2 LEU 54 6.129 2.466 7.617 449 HB3 LEU 54 HB3 LEU 54 6.079 3.655 6.330 450 HG LEU 54 HG LEU 54 5.562 0.993 5.308 451 HD11 LEU 54 HD11 LEU 54 4.391 0.183 7.035 452 HD12 LEU 54 HD12 LEU 54 3.143 1.313 6.512 453 HD13 LEU 54 HD13 LEU 54 4.251 1.762 7.808 454 HD21 LEU 54 HD21 LEU 54 4.998 3.522 4.573 455 HD22 LEU 54 HD22 LEU 54 3.466 3.063 5.316 456 HD23 LEU 54 HD23 LEU 54 4.120 2.111 3.984 457 H LEU 55 H LEU 55 8.948 3.925 7.463 458 HA LEU 55 HA LEU 55 9.168 5.922 5.423 459 HB2 LEU 55 HB2 LEU 55 10.852 6.936 7.078 460 HB3 LEU 55 HB3 LEU 55 9.167 6.843 7.546 461 HG LEU 55 HG LEU 55 10.132 4.504 8.570 462 HD11 LEU 55 HD11 LEU 55 12.230 4.756 9.515 463 HD12 LEU 55 HD12 LEU 55 12.283 6.486 9.169 464 HD13 LEU 55 HD13 LEU 55 12.429 5.317 7.855 465 HD21 LEU 55 HD21 LEU 55 10.476 6.281 10.630 466 HD22 LEU 55 HD22 LEU 55 8.956 5.524 10.154 467 HD23 LEU 55 HD23 LEU 55 9.368 7.129 9.549 468 H GLU 56 H GLU 56 10.932 3.108 6.153 469 HA GLU 56 HA GLU 56 13.407 4.049 4.980 470 HB2 GLU 56 HB2 GLU 56 12.508 1.622 6.410 471 HB3 GLU 56 HB3 GLU 56 13.764 1.378 5.204 472 HG2 GLU 56 HG2 GLU 56 14.330 3.658 6.891 473 HG3 GLU 56 HG3 GLU 56 14.109 2.182 7.830 474 H GLU 57 H GLU 57 10.497 2.578 3.932 475 HA GLU 57 HA GLU 57 11.715 1.475 1.529 476 HB2 GLU 57 HB2 GLU 57 8.783 1.561 2.253 477 HB3 GLU 57 HB3 GLU 57 9.539 0.567 1.015 478 HG2 GLU 57 HG2 GLU 57 10.345 0.297 3.879 479 HG3 GLU 57 HG3 GLU 57 8.892 -0.496 3.273 480 H ILE 58 H ILE 58 10.090 4.313 2.559 481 HA ILE 58 HA ILE 58 9.602 5.126 -0.205 482 HB ILE 58 HB ILE 58 9.035 7.190 1.764 483 HG12 ILE 58 HG12 ILE 58 7.905 4.440 2.189 484 HG13 ILE 58 HG13 ILE 58 8.447 5.614 3.381 485 HG21 ILE 58 HG21 ILE 58 7.169 5.737 -0.101 486 HG22 ILE 58 HG22 ILE 58 8.276 7.007 -0.625 487 HG23 ILE 58 HG23 ILE 58 7.007 7.372 0.542 488 HD11 ILE 58 HD11 ILE 58 6.323 6.898 2.234 489 HD12 ILE 58 HD12 ILE 58 6.276 5.965 3.730 490 HD13 ILE 58 HD13 ILE 58 5.812 5.210 2.208 491 H LYS 59 H LYS 59 11.884 5.379 2.289 492 HA LYS 59 HA LYS 59 13.070 7.860 1.440 493 HB2 LYS 59 HB2 LYS 59 13.556 5.842 3.539 494 HB3 LYS 59 HB3 LYS 59 15.002 6.624 2.916 495 HG2 LYS 59 HG2 LYS 59 13.739 8.823 3.335 496 HG3 LYS 59 HG3 LYS 59 12.671 7.842 4.341 497 HD2 LYS 59 HD2 LYS 59 15.297 7.131 5.054 498 HD3 LYS 59 HD3 LYS 59 15.279 8.892 4.937 499 HE2 LYS 59 HE2 LYS 59 13.139 7.407 6.424 500 HE3 LYS 59 HE3 LYS 59 14.676 7.805 7.191 501 HZ1 LYS 59 HZ1 LYS 59 13.358 9.995 5.821 502 HZ2 LYS 59 HZ2 LYS 59 14.150 9.971 7.315 503 HZ3 LYS 59 HZ3 LYS 59 12.557 9.417 7.195 504 H ASN 60 H ASN 60 13.379 4.453 0.740 505 HA ASN 60 HA ASN 60 15.814 4.873 -0.781 506 HB2 ASN 60 HB2 ASN 60 14.461 2.576 0.416 507 HB3 ASN 60 HB3 ASN 60 15.042 2.254 -1.215 508 HD21 ASN 60 HD21 ASN 60 15.933 3.045 2.045 509 HD22 ASN 60 HD22 ASN 60 17.619 2.705 1.883 510 H HIS 61 H HIS 61 13.446 6.201 -1.649 511 HA HIS 61 HA HIS 61 13.423 5.408 -4.385 512 HB2 HIS 61 HB2 HIS 61 11.738 3.868 -3.210 513 HB3 HIS 61 HB3 HIS 61 10.752 5.309 -2.993 514 HD1 HIS 61 HD1 HIS 61 12.418 3.452 -5.870 515 HD2 HIS 61 HD2 HIS 61 9.052 5.746 -5.051 516 HE1 HIS 61 HE1 HIS 61 11.066 3.443 -7.990 517 HE2 HIS 61 HE2 HIS 61 9.072 4.901 -7.495 518 H ALA 62 H ALA 62 11.788 7.272 -1.859 519 HA ALA 62 HA ALA 62 12.375 9.772 -2.988 520 HB1 ALA 62 HB1 ALA 62 10.872 9.576 -4.714 521 HB2 ALA 62 HB2 ALA 62 9.852 10.306 -3.473 522 HB3 ALA 62 HB3 ALA 62 9.763 8.571 -3.780 523 H LYS 63 H LYS 63 12.713 10.686 -1.052 524 HA LYS 63 HA LYS 63 11.119 10.097 1.247 525 HB2 LYS 63 HB2 LYS 63 12.491 11.779 2.376 526 HB3 LYS 63 HB3 LYS 63 13.493 10.673 1.446 527 HG2 LYS 63 HG2 LYS 63 12.659 13.114 0.032 528 HG3 LYS 63 HG3 LYS 63 13.746 13.354 1.401 529 HD2 LYS 63 HD2 LYS 63 15.492 12.533 0.275 530 HD3 LYS 63 HD3 LYS 63 14.572 11.132 -0.276 531 HE2 LYS 63 HE2 LYS 63 14.116 12.063 -2.269 532 HE3 LYS 63 HE3 LYS 63 13.832 13.656 -1.570 533 HZ1 LYS 63 HZ1 LYS 63 15.934 13.059 -3.091 534 HZ2 LYS 63 HZ2 LYS 63 16.590 12.758 -1.562 535 HZ3 LYS 63 HZ3 LYS 63 15.947 14.281 -1.921 536 H ALA 64 H ALA 64 9.176 10.753 -0.298 537 HA ALA 64 HA ALA 64 7.451 12.169 -0.760 538 HB1 ALA 64 HB1 ALA 64 6.944 13.768 1.190 539 HB2 ALA 64 HB2 ALA 64 8.305 12.986 1.993 540 HB3 ALA 64 HB3 ALA 64 6.907 12.032 1.499 541 H ILE 65 H ILE 65 8.071 13.330 -2.543 542 HA ILE 65 HA ILE 65 9.673 15.739 -2.162 543 HB ILE 65 HB ILE 65 10.237 14.226 -4.035 544 HG12 ILE 65 HG12 ILE 65 9.305 16.616 -5.490 545 HG13 ILE 65 HG13 ILE 65 10.214 16.952 -4.020 546 HG21 ILE 65 HG21 ILE 65 7.405 14.449 -4.545 547 HG22 ILE 65 HG22 ILE 65 8.577 13.297 -5.183 548 HG23 ILE 65 HG23 ILE 65 8.347 14.853 -5.980 549 HD11 ILE 65 HD11 ILE 65 11.268 16.457 -6.503 550 HD12 ILE 65 HD12 ILE 65 11.468 14.918 -5.666 551 HD13 ILE 65 HD13 ILE 65 12.140 16.393 -4.972 552 H VAL 66 H VAL 66 7.034 15.651 -1.094 553 HA VAL 66 HA VAL 66 6.053 18.134 -2.037 554 HB VAL 66 HB VAL 66 5.195 16.659 -3.831 555 HG11 VAL 66 HG11 VAL 66 4.873 14.600 -2.676 556 HG12 VAL 66 HG12 VAL 66 3.298 15.136 -3.262 557 HG13 VAL 66 HG13 VAL 66 3.721 15.338 -1.563 558 HG21 VAL 66 HG21 VAL 66 3.635 18.439 -2.155 559 HG22 VAL 66 HG22 VAL 66 2.622 17.278 -3.014 560 HG23 VAL 66 HG23 VAL 66 3.718 18.327 -3.913 561 H ALA 67 H ALA 67 6.848 17.054 0.443 562 HA ALA 67 HA ALA 67 4.629 17.839 2.059 563 HB1 ALA 67 HB1 ALA 67 3.835 15.621 1.698 564 HB2 ALA 67 HB2 ALA 67 4.485 15.687 3.336 565 HB3 ALA 67 HB3 ALA 67 5.421 14.933 2.045 566 H ARG 68 H ARG 68 5.252 17.088 4.504 567 HA ARG 68 HA ARG 68 8.029 17.986 4.845 568 HB2 ARG 68 HB2 ARG 68 5.865 19.203 5.810 569 HB3 ARG 68 HB3 ARG 68 6.099 18.041 7.109 570 HG2 ARG 68 HG2 ARG 68 8.557 18.911 7.064 571 HG3 ARG 68 HG3 ARG 68 7.838 20.307 6.257 572 HD2 ARG 68 HD2 ARG 68 6.123 20.072 8.287 573 HD3 ARG 68 HD3 ARG 68 7.543 19.357 9.049 574 HE ARG 68 HE ARG 68 8.318 21.755 7.844 575 HH11 ARG 68 HH11 ARG 68 6.294 20.656 10.466 576 HH12 ARG 68 HH12 ARG 68 6.505 22.099 11.399 577 HH21 ARG 68 HH21 ARG 68 8.596 23.654 9.071 578 HH22 ARG 68 HH22 ARG 68 7.811 23.801 10.607 579 H ASN 69 H ASN 69 5.800 15.451 5.536 580 HA ASN 69 HA ASN 69 7.949 13.817 6.604 581 HB2 ASN 69 HB2 ASN 69 6.803 14.997 8.556 582 HB3 ASN 69 HB3 ASN 69 5.375 14.045 8.166 583 HD21 ASN 69 HD21 ASN 69 5.587 13.181 10.301 584 HD22 ASN 69 HD22 ASN 69 6.698 11.895 10.607 585 H VAL 70 H VAL 70 7.168 11.499 6.909 586 HA VAL 70 HA VAL 70 5.505 10.838 4.623 587 HB VAL 70 HB VAL 70 7.721 9.693 5.065 588 HG11 VAL 70 HG11 VAL 70 7.745 7.827 6.622 589 HG12 VAL 70 HG12 VAL 70 6.105 8.217 7.142 590 HG13 VAL 70 HG13 VAL 70 7.426 9.338 7.476 591 HG21 VAL 70 HG21 VAL 70 5.445 8.816 3.840 592 HG22 VAL 70 HG22 VAL 70 5.816 7.479 4.930 593 HG23 VAL 70 HG23 VAL 70 7.017 8.023 3.758 594 H ASP 71 H ASP 71 5.590 10.254 8.080 595 HA ASP 71 HA ASP 71 3.329 8.630 8.268 596 HB2 ASP 71 HB2 ASP 71 5.130 9.857 10.068 597 HB3 ASP 71 HB3 ASP 71 3.509 10.310 10.585 598 H VAL 72 H VAL 72 3.613 12.113 8.691 599 HA VAL 72 HA VAL 72 0.867 12.603 9.072 600 HB VAL 72 HB VAL 72 2.813 14.560 7.857 601 HG11 VAL 72 HG11 VAL 72 0.202 14.782 9.304 602 HG12 VAL 72 HG12 VAL 72 0.700 15.516 7.779 603 HG13 VAL 72 HG13 VAL 72 1.349 16.122 9.303 604 HG21 VAL 72 HG21 VAL 72 4.052 14.284 9.700 605 HG22 VAL 72 HG22 VAL 72 2.792 13.362 10.519 606 HG23 VAL 72 HG23 VAL 72 2.750 15.125 10.542 607 H HIS 73 H HIS 73 2.750 12.009 6.254 608 HA HIS 73 HA HIS 73 0.943 13.161 4.374 609 HB2 HIS 73 HB2 HIS 73 3.507 12.267 4.210 610 HB3 HIS 73 HB3 HIS 73 2.646 10.928 3.468 611 HD1 HIS 73 HD1 HIS 73 4.422 12.328 1.601 612 HD2 HIS 73 HD2 HIS 73 0.569 13.694 2.341 613 HE1 HIS 73 HE1 HIS 73 3.816 13.740 -0.389 614 HE2 HIS 73 HE2 HIS 73 1.522 14.641 0.131 615 H ILE 74 H ILE 74 1.269 10.087 5.951 616 HA ILE 74 HA ILE 74 -0.410 8.574 4.273 617 HB ILE 74 HB ILE 74 -0.049 8.186 7.245 618 HG12 ILE 74 HG12 ILE 74 2.147 8.256 6.298 619 HG13 ILE 74 HG13 ILE 74 1.748 6.562 6.550 620 HG21 ILE 74 HG21 ILE 74 -1.169 6.270 7.044 621 HG22 ILE 74 HG22 ILE 74 -0.310 5.825 5.570 622 HG23 ILE 74 HG23 ILE 74 -1.719 6.882 5.484 623 HD11 ILE 74 HD11 ILE 74 0.919 6.858 4.015 624 HD12 ILE 74 HD12 ILE 74 2.552 6.364 4.463 625 HD13 ILE 74 HD13 ILE 74 2.220 8.048 4.057 626 H ALA 75 H ALA 75 -1.029 10.907 6.752 627 HA ALA 75 HA ALA 75 -3.699 10.220 7.327 628 HB1 ALA 75 HB1 ALA 75 -2.226 12.823 7.610 629 HB2 ALA 75 HB2 ALA 75 -2.521 11.615 8.861 630 HB3 ALA 75 HB3 ALA 75 -3.864 12.552 8.206 631 H SER 76 H SER 76 -2.358 12.699 5.204 632 HA SER 76 HA SER 76 -4.892 13.433 4.132 633 HB2 SER 76 HB2 SER 76 -2.392 13.895 2.562 634 HB3 SER 76 HB3 SER 76 -3.751 14.982 2.847 635 HG SER 76 HG SER 76 -1.488 14.512 4.391 636 H LEU 77 H LEU 77 -2.433 11.142 3.277 637 HA LEU 77 HA LEU 77 -3.488 10.486 0.726 638 HB2 LEU 77 HB2 LEU 77 -1.179 9.988 1.297 639 HB3 LEU 77 HB3 LEU 77 -1.700 8.926 2.589 640 HG LEU 77 HG LEU 77 -0.893 7.880 0.386 641 HD11 LEU 77 HD11 LEU 77 -1.923 6.002 1.025 642 HD12 LEU 77 HD12 LEU 77 -3.527 6.730 0.941 643 HD13 LEU 77 HD13 LEU 77 -2.514 6.990 2.361 644 HD21 LEU 77 HD21 LEU 77 -2.661 9.505 -0.800 645 HD22 LEU 77 HD22 LEU 77 -3.671 8.074 -0.593 646 HD23 LEU 77 HD23 LEU 77 -2.154 7.961 -1.487 647 H ARG 78 H ARG 78 -4.253 9.684 3.977 648 HA ARG 78 HA ARG 78 -5.580 7.243 3.598 649 HB2 ARG 78 HB2 ARG 78 -5.099 9.011 5.735 650 HB3 ARG 78 HB3 ARG 78 -6.845 8.826 5.646 651 HG2 ARG 78 HG2 ARG 78 -6.705 6.484 5.949 652 HG3 ARG 78 HG3 ARG 78 -4.958 6.488 5.700 653 HD2 ARG 78 HD2 ARG 78 -4.522 7.233 7.803 654 HD3 ARG 78 HD3 ARG 78 -6.008 8.178 7.893 655 HE ARG 78 HE ARG 78 -5.633 5.444 8.707 656 HH11 ARG 78 HH11 ARG 78 -7.960 7.844 7.705 657 HH12 ARG 78 HH12 ARG 78 -9.296 7.046 8.464 658 HH21 ARG 78 HH21 ARG 78 -7.390 4.393 9.705 659 HH22 ARG 78 HH22 ARG 78 -8.973 5.087 9.599 660 H LYS 79 H LYS 79 -6.507 10.539 3.031 661 HA LYS 79 HA LYS 79 -9.293 9.814 2.610 662 HB2 LYS 79 HB2 LYS 79 -8.532 11.973 3.722 663 HB3 LYS 79 HB3 LYS 79 -8.044 12.510 2.120 664 HG2 LYS 79 HG2 LYS 79 -10.645 11.620 1.773 665 HG3 LYS 79 HG3 LYS 79 -10.667 12.443 3.333 666 HD2 LYS 79 HD2 LYS 79 -9.185 13.878 1.258 667 HD3 LYS 79 HD3 LYS 79 -10.897 13.661 0.890 668 HE2 LYS 79 HE2 LYS 79 -11.498 14.658 3.027 669 HE3 LYS 79 HE3 LYS 79 -9.794 14.827 3.445 670 HZ1 LYS 79 HZ1 LYS 79 -11.401 16.364 1.539 671 HZ2 LYS 79 HZ2 LYS 79 -9.758 16.149 1.201 672 HZ3 LYS 79 HZ3 LYS 79 -10.234 16.897 2.641 673 H LYS 80 H LYS 80 -6.450 10.056 0.752 674 HA LYS 80 HA LYS 80 -7.813 10.621 -1.716 675 HB2 LYS 80 HB2 LYS 80 -5.093 10.665 -0.789 676 HB3 LYS 80 HB3 LYS 80 -5.209 9.750 -2.286 677 HG2 LYS 80 HG2 LYS 80 -5.440 11.598 -3.491 678 HG3 LYS 80 HG3 LYS 80 -6.728 12.199 -2.445 679 HD2 LYS 80 HD2 LYS 80 -4.540 12.576 -0.872 680 HD3 LYS 80 HD3 LYS 80 -3.861 12.842 -2.479 681 HE2 LYS 80 HE2 LYS 80 -4.957 14.781 -2.748 682 HE3 LYS 80 HE3 LYS 80 -6.447 14.142 -2.053 683 HZ1 LYS 80 HZ1 LYS 80 -4.281 15.596 -0.778 684 HZ2 LYS 80 HZ2 LYS 80 -4.923 14.313 0.118 685 HZ3 LYS 80 HZ3 LYS 80 -5.932 15.564 -0.408 686 H LEU 81 H LEU 81 -5.805 7.977 -0.545 687 HA LEU 81 HA LEU 81 -6.409 6.196 -2.619 688 HB2 LEU 81 HB2 LEU 81 -5.009 4.768 -1.567 689 HB3 LEU 81 HB3 LEU 81 -4.553 6.233 -0.732 690 HG LEU 81 HG LEU 81 -6.315 4.015 0.298 691 HD11 LEU 81 HD11 LEU 81 -4.561 3.369 1.546 692 HD12 LEU 81 HD12 LEU 81 -4.038 5.023 1.851 693 HD13 LEU 81 HD13 LEU 81 -3.612 4.230 0.335 694 HD21 LEU 81 HD21 LEU 81 -5.791 5.907 2.318 695 HD22 LEU 81 HD22 LEU 81 -7.347 5.466 1.620 696 HD23 LEU 81 HD23 LEU 81 -6.419 6.798 0.935 697 H GLY 82 H GLY 82 -8.226 7.077 0.176 698 HA2 GLY 82 HA2 GLY 82 -10.586 6.524 0.178 699 HA3 GLY 82 HA3 GLY 82 -10.166 4.956 -0.492 700 H ALA 83 H ALA 83 -10.652 3.442 0.950 701 HA ALA 83 HA ALA 83 -10.443 3.987 3.795 702 HB1 ALA 83 HB1 ALA 83 -11.542 1.668 2.230 703 HB2 ALA 83 HB2 ALA 83 -12.427 2.867 3.172 704 HB3 ALA 83 HB3 ALA 83 -11.424 1.668 3.990 705 H TYR 84 H TYR 84 -8.560 2.522 1.358 706 HA TYR 84 HA TYR 84 -7.207 0.538 2.789 707 HB2 TYR 84 HB2 TYR 84 -5.776 2.177 0.728 708 HB3 TYR 84 HB3 TYR 84 -5.703 0.444 1.016 709 HD1 TYR 84 HD1 TYR 84 -8.479 -0.394 0.905 710 HD2 TYR 84 HD2 TYR 84 -6.445 2.503 -1.455 711 HE1 TYR 84 HE1 TYR 84 -10.090 -0.755 -0.917 712 HE2 TYR 84 HE2 TYR 84 -8.050 2.151 -3.282 713 HH TYR 84 HH TYR 84 -10.790 1.104 -3.149 714 H GLY 85 H GLY 85 -7.004 3.986 2.892 715 HA2 GLY 85 HA2 GLY 85 -4.413 4.370 3.864 716 HA3 GLY 85 HA3 GLY 85 -5.789 5.402 4.229 717 H SER 86 H SER 86 -7.344 3.331 5.479 718 HA SER 86 HA SER 86 -6.296 3.531 8.121 719 HB2 SER 86 HB2 SER 86 -8.750 3.494 7.539 720 HB3 SER 86 HB3 SER 86 -8.575 1.775 7.185 721 HG SER 86 HG SER 86 -9.181 2.684 9.459 722 H ARG 87 H ARG 87 -5.964 1.281 5.555 723 HA ARG 87 HA ARG 87 -5.582 -1.142 6.800 724 HB2 ARG 87 HB2 ARG 87 -5.458 -0.675 4.332 725 HB3 ARG 87 HB3 ARG 87 -3.819 -0.090 4.586 726 HG2 ARG 87 HG2 ARG 87 -2.998 -2.192 5.062 727 HG3 ARG 87 HG3 ARG 87 -4.583 -2.822 5.515 728 HD2 ARG 87 HD2 ARG 87 -3.740 -3.680 3.341 729 HD3 ARG 87 HD3 ARG 87 -5.293 -2.857 3.230 730 HE ARG 87 HE ARG 87 -4.037 -0.905 2.386 731 HH11 ARG 87 HH11 ARG 87 -2.571 -4.075 2.157 732 HH12 ARG 87 HH12 ARG 87 -1.552 -3.636 0.831 733 HH21 ARG 87 HH21 ARG 87 -2.694 -0.342 0.644 734 HH22 ARG 87 HH22 ARG 87 -1.620 -1.523 -0.027 735 H ILE 88 H ILE 88 -3.528 1.669 6.891 736 HA ILE 88 HA ILE 88 -1.163 0.407 7.818 737 HB ILE 88 HB ILE 88 -1.951 3.232 8.513 738 HG12 ILE 88 HG12 ILE 88 -2.407 3.024 6.148 739 HG13 ILE 88 HG13 ILE 88 -0.900 3.908 6.352 740 HG21 ILE 88 HG21 ILE 88 0.061 2.877 9.530 741 HG22 ILE 88 HG22 ILE 88 0.623 3.404 7.942 742 HG23 ILE 88 HG23 ILE 88 0.580 1.685 8.338 743 HD11 ILE 88 HD11 ILE 88 -1.357 1.160 5.307 744 HD12 ILE 88 HD12 ILE 88 0.188 1.563 6.054 745 HD13 ILE 88 HD13 ILE 88 -0.376 2.469 4.650 746 H VAL 89 H VAL 89 -2.179 -1.088 9.346 747 HA VAL 89 HA VAL 89 -3.392 -0.087 11.737 748 HB VAL 89 HB VAL 89 -2.289 -2.851 11.231 749 HG11 VAL 89 HG11 VAL 89 -3.227 -3.507 13.162 750 HG12 VAL 89 HG12 VAL 89 -4.642 -2.478 12.943 751 HG13 VAL 89 HG13 VAL 89 -3.146 -1.796 13.582 752 HG21 VAL 89 HG21 VAL 89 -4.873 -1.564 10.449 753 HG22 VAL 89 HG22 VAL 89 -4.807 -3.293 10.789 754 HG23 VAL 89 HG23 VAL 89 -3.812 -2.609 9.504 755 H THR 90 H THR 90 -2.348 0.817 13.364 756 HA THR 90 HA THR 90 0.496 0.260 13.761 757 HB THR 90 HB THR 90 -1.287 2.347 15.037 758 HG1 THR 90 HG1 THR 90 -0.907 2.691 12.807 759 HG21 THR 90 HG21 THR 90 1.709 2.084 15.102 760 HG22 THR 90 HG22 THR 90 0.611 1.856 16.464 761 HG23 THR 90 HG23 THR 90 0.776 3.447 15.719 762 H LEU 91 H LEU 91 0.130 -1.875 14.600 763 HA LEU 91 HA LEU 91 -1.433 -2.339 16.925 764 HB2 LEU 91 HB2 LEU 91 0.425 -3.866 15.233 765 HB3 LEU 91 HB3 LEU 91 0.366 -4.388 16.906 766 HG LEU 91 HG LEU 91 -2.278 -4.000 15.696 767 HD11 LEU 91 HD11 LEU 91 -0.747 -4.910 13.828 768 HD12 LEU 91 HD12 LEU 91 -2.270 -5.736 14.161 769 HD13 LEU 91 HD13 LEU 91 -0.754 -6.401 14.769 770 HD21 LEU 91 HD21 LEU 91 -1.303 -5.232 17.898 771 HD22 LEU 91 HD22 LEU 91 -1.443 -6.598 16.791 772 HD23 LEU 91 HD23 LEU 91 -2.858 -5.610 17.156 773 H ARG 92 H ARG 92 -0.877 -2.469 19.053 774 HA ARG 92 HA ARG 92 1.466 -0.999 19.868 775 HB2 ARG 92 HB2 ARG 92 -0.960 -1.082 20.921 776 HB3 ARG 92 HB3 ARG 92 -0.282 -2.431 21.821 777 HG2 ARG 92 HG2 ARG 92 1.515 -0.186 21.863 778 HG3 ARG 92 HG3 ARG 92 -0.090 0.285 22.425 779 HD2 ARG 92 HD2 ARG 92 0.031 -1.846 23.867 780 HD3 ARG 92 HD3 ARG 92 1.762 -1.797 23.533 781 HE ARG 92 HE ARG 92 1.954 -0.042 24.987 782 HH11 ARG 92 HH11 ARG 92 -1.411 -0.440 24.149 783 HH12 ARG 92 HH12 ARG 92 -1.966 0.719 25.310 784 HH21 ARG 92 HH21 ARG 92 1.225 1.483 26.514 785 HH22 ARG 92 HH22 ARG 92 -0.470 1.811 26.652 786 H GLY 93 H GLY 93 3.085 -2.460 19.063 787 HA2 GLY 93 HA2 GLY 93 4.712 -3.796 20.481 788 HA3 GLY 93 HA3 GLY 93 3.375 -4.922 20.666 789 H VAL 94 H VAL 94 2.526 -4.393 17.849 790 HA VAL 94 HA VAL 94 4.334 -6.319 16.615 791 HB VAL 94 HB VAL 94 1.861 -5.226 15.305 792 HG11 VAL 94 HG11 VAL 94 3.751 -6.933 14.411 793 HG12 VAL 94 HG12 VAL 94 2.074 -6.942 13.867 794 HG13 VAL 94 HG13 VAL 94 2.601 -8.065 15.120 795 HG21 VAL 94 HG21 VAL 94 1.323 -5.959 17.645 796 HG22 VAL 94 HG22 VAL 94 1.869 -7.574 17.193 797 HG23 VAL 94 HG23 VAL 94 0.484 -6.849 16.375 798 H GLY 95 H GLY 95 2.986 -3.097 15.991 799 HA2 GLY 95 HA2 GLY 95 4.653 -1.449 15.152 800 HA3 GLY 95 HA3 GLY 95 5.136 -2.687 14.004 801 H TYR 96 H TYR 96 4.343 -2.465 12.032 802 HA TYR 96 HA TYR 96 1.757 -1.088 11.713 803 HB2 TYR 96 HB2 TYR 96 4.356 -0.685 10.358 804 HB3 TYR 96 HB3 TYR 96 2.940 -0.643 9.327 805 HD1 TYR 96 HD1 TYR 96 3.455 0.579 12.815 806 HD2 TYR 96 HD2 TYR 96 2.568 1.584 8.778 807 HE1 TYR 96 HE1 TYR 96 3.049 2.907 13.491 808 HE2 TYR 96 HE2 TYR 96 2.163 3.916 9.443 809 HH TYR 96 HH TYR 96 2.995 5.115 12.549 810 H LEU 97 H LEU 97 0.294 -2.585 11.182 811 HA LEU 97 HA LEU 97 1.090 -4.692 9.285 812 HB2 LEU 97 HB2 LEU 97 0.405 -5.571 11.443 813 HB3 LEU 97 HB3 LEU 97 -1.104 -4.683 11.356 814 HG LEU 97 HG LEU 97 -0.566 -6.571 9.138 815 HD11 LEU 97 HD11 LEU 97 -0.713 -7.385 11.973 816 HD12 LEU 97 HD12 LEU 97 0.028 -8.195 10.592 817 HD13 LEU 97 HD13 LEU 97 -1.716 -8.288 10.837 818 HD21 LEU 97 HD21 LEU 97 -2.813 -6.563 8.932 819 HD22 LEU 97 HD22 LEU 97 -2.672 -5.058 9.838 820 HD23 LEU 97 HD23 LEU 97 -3.083 -6.555 10.674 821 H PHE 98 H PHE 98 -0.025 -4.979 7.431 822 HA PHE 98 HA PHE 98 -1.985 -2.924 6.747 823 HB2 PHE 98 HB2 PHE 98 -1.007 -4.925 4.756 824 HB3 PHE 98 HB3 PHE 98 -1.419 -3.232 4.525 825 HD1 PHE 98 HD1 PHE 98 0.270 -2.085 6.750 826 HD2 PHE 98 HD2 PHE 98 1.124 -4.978 3.747 827 HE1 PHE 98 HE1 PHE 98 2.655 -1.491 6.858 828 HE2 PHE 98 HE2 PHE 98 3.508 -4.391 3.854 829 HZ PHE 98 HZ PHE 98 4.278 -2.646 5.410 830 H SER 99 H SER 99 -3.774 -3.693 7.831 831 HA SER 99 HA SER 99 -4.818 -6.179 8.062 832 HB2 SER 99 HB2 SER 99 -6.922 -5.189 8.484 833 HB3 SER 99 HB3 SER 99 -5.737 -3.969 8.948 834 HG SER 99 HG SER 99 -6.638 -2.708 7.547 835 H ASP 100 H ASP 100 -6.859 -7.027 7.031 836 HA ASP 100 HA ASP 100 -6.353 -7.878 4.429 837 HB2 ASP 100 HB2 ASP 100 -8.377 -8.247 6.432 838 HB3 ASP 100 HB3 ASP 100 -9.136 -8.063 4.856 839 H ASP 101 H ASP 101 -7.760 -4.981 5.538 840 HA ASP 101 HA ASP 101 -9.499 -4.288 3.472 841 HB2 ASP 101 HB2 ASP 101 -8.767 -3.141 5.809 842 HB3 ASP 101 HB3 ASP 101 -7.936 -2.086 4.669 843 H GLY 102 H GLY 102 -7.590 -5.407 1.948 844 HA2 GLY 102 HA2 GLY 102 -7.115 -4.069 -0.218 845 HA3 GLY 102 HA3 GLY 102 -5.974 -3.233 0.825 846 H ASP 103 H ASP 103 -6.856 -6.488 -0.276 847 HA ASP 103 HA ASP 103 -4.021 -7.191 -0.213 848 HB2 ASP 103 HB2 ASP 103 -5.378 -8.426 1.464 849 HB3 ASP 103 HB3 ASP 103 -6.355 -9.073 0.149 850 H LYS 104 H LYS 104 -3.164 -7.491 -2.152 851 HA LYS 104 HA LYS 104 -4.573 -7.386 -4.550 852 HB2 LYS 104 HB2 LYS 104 -1.895 -7.480 -3.769 853 HB3 LYS 104 HB3 LYS 104 -2.101 -8.881 -4.810 854 HG2 LYS 104 HG2 LYS 104 -2.935 -7.476 -6.592 855 HG3 LYS 104 HG3 LYS 104 -2.836 -6.056 -5.553 856 HD2 LYS 104 HD2 LYS 104 -0.586 -7.713 -6.668 857 HD3 LYS 104 HD3 LYS 104 -0.914 -6.002 -6.932 858 HE2 LYS 104 HE2 LYS 104 0.801 -5.899 -5.406 859 HE3 LYS 104 HE3 LYS 104 -0.606 -5.836 -4.346 860 HZ1 LYS 104 HZ1 LYS 104 -0.176 -8.477 -4.530 861 HZ2 LYS 104 HZ2 LYS 104 0.436 -7.500 -3.295 862 HZ3 LYS 104 HZ3 LYS 104 1.407 -7.892 -4.623 863 H LYS 105 H LYS 105 -3.647 -9.437 -6.161 864 HA LYS 105 HA LYS 105 -5.585 -11.447 -5.651 865 HB2 LYS 105 HB2 LYS 105 -4.374 -10.538 -7.891 866 HB3 LYS 105 HB3 LYS 105 -3.460 -12.016 -7.624 867 HG2 LYS 105 HG2 LYS 105 -5.879 -13.037 -7.338 868 HG3 LYS 105 HG3 LYS 105 -6.316 -11.649 -8.336 869 HD2 LYS 105 HD2 LYS 105 -4.291 -12.465 -9.796 870 HD3 LYS 105 HD3 LYS 105 -4.606 -14.004 -8.993 871 HE2 LYS 105 HE2 LYS 105 -7.108 -13.349 -9.705 872 HE3 LYS 105 HE3 LYS 105 -6.217 -12.530 -10.987 873 HZ1 LYS 105 HZ1 LYS 105 -6.553 -15.372 -10.484 874 HZ2 LYS 105 HZ2 LYS 105 -5.013 -14.895 -10.996 875 HZ3 LYS 105 HZ3 LYS 105 -6.366 -14.545 -11.949 876 H PHE 106 H PHE 106 -5.372 -13.055 -4.250 877 HA PHE 106 HA PHE 106 -2.953 -13.775 -3.014 878 HB2 PHE 106 HB2 PHE 106 -5.718 -14.476 -2.791 879 HB3 PHE 106 HB3 PHE 106 -4.767 -15.957 -2.825 880 HD1 PHE 106 HD1 PHE 106 -2.898 -16.231 -1.163 881 HD2 PHE 106 HD2 PHE 106 -5.801 -13.133 -0.875 882 HE1 PHE 106 HE1 PHE 106 -2.327 -15.922 1.210 883 HE2 PHE 106 HE2 PHE 106 -5.235 -12.817 1.498 884 HZ PHE 106 HZ PHE 106 -3.496 -14.213 2.544 885 H SER 107 H SER 107 -1.305 -14.541 -4.198 886 HA SER 107 HA SER 107 -1.519 -16.078 -6.530 887 HB2 SER 107 HB2 SER 107 0.560 -14.929 -5.022 888 HB3 SER 107 HB3 SER 107 0.941 -16.647 -5.121 889 HG SER 107 HG SER 107 0.458 -16.349 -7.463 890 H GLN 108 H GLN 108 -1.987 -18.152 -6.851 891 HA GLN 108 HA GLN 108 -2.197 -19.913 -4.559 892 HB2 GLN 108 HB2 GLN 108 -3.327 -19.915 -7.322 893 HB3 GLN 108 HB3 GLN 108 -3.218 -21.436 -6.445 894 HG2 GLN 108 HG2 GLN 108 -4.362 -19.878 -4.568 895 HG3 GLN 108 HG3 GLN 108 -4.998 -19.134 -6.034 896 HE21 GLN 108 HE21 GLN 108 -4.954 -21.961 -4.037 897 HE22 GLN 108 HE22 GLN 108 -6.261 -22.784 -4.810 898 H GLN 109 H GLN 109 0.400 -19.160 -5.897 899 HA GLN 109 HA GLN 109 1.404 -21.318 -7.358 900 HB2 GLN 109 HB2 GLN 109 3.609 -20.396 -6.718 901 HB3 GLN 109 HB3 GLN 109 2.517 -19.181 -7.347 902 HG2 GLN 109 HG2 GLN 109 1.991 -18.936 -4.737 903 HG3 GLN 109 HG3 GLN 109 3.657 -19.503 -4.646 904 HE21 GLN 109 HE21 GLN 109 2.946 -17.008 -3.750 905 HE22 GLN 109 HE22 GLN 109 3.635 -15.806 -4.782 906 H ASP 110 H ASP 110 2.350 -23.213 -6.784 907 HA ASP 110 HA ASP 110 2.145 -23.977 -3.964 908 HB2 ASP 110 HB2 ASP 110 1.211 -25.298 -6.084 909 HB3 ASP 110 HB3 ASP 110 2.840 -25.966 -6.070 910 H THR 111 H THR 111 4.317 -22.301 -4.985 911 HA THR 111 HA THR 111 6.492 -23.735 -3.807 912 HB THR 111 HB THR 111 7.927 -23.123 -5.945 913 HG1 THR 111 HG1 THR 111 6.680 -23.528 -7.830 914 HG21 THR 111 HG21 THR 111 6.957 -25.486 -4.937 915 HG22 THR 111 HG22 THR 111 8.144 -25.311 -6.231 916 HG23 THR 111 HG23 THR 111 6.436 -25.515 -6.622 917 H LYS 112 H LYS 112 6.817 -22.133 -2.351 918 HA LYS 112 HA LYS 112 8.120 -19.756 -3.258 919 HB2 LYS 112 HB2 LYS 112 6.537 -18.230 -2.007 920 HB3 LYS 112 HB3 LYS 112 5.925 -18.892 -3.517 921 HG2 LYS 112 HG2 LYS 112 4.109 -19.370 -2.303 922 HG3 LYS 112 HG3 LYS 112 5.055 -20.754 -1.754 923 HD2 LYS 112 HD2 LYS 112 5.616 -19.718 0.265 924 HD3 LYS 112 HD3 LYS 112 5.207 -18.112 -0.341 925 HE2 LYS 112 HE2 LYS 112 2.962 -19.974 -0.394 926 HE3 LYS 112 HE3 LYS 112 3.603 -19.703 1.226 927 HZ1 LYS 112 HZ1 LYS 112 2.245 -17.853 -0.568 928 HZ2 LYS 112 HZ2 LYS 112 3.505 -17.212 0.360 929 HZ3 LYS 112 HZ3 LYS 112 2.192 -17.961 1.120 930 H LEU 113 H LEU 113 9.612 -19.142 -1.816 931 HA LEU 113 HA LEU 113 10.105 -20.658 0.495 932 HB2 LEU 113 HB2 LEU 113 11.848 -19.022 0.987 933 HB3 LEU 113 HB3 LEU 113 11.876 -19.500 -0.700 934 HG LEU 113 HG LEU 113 10.306 -17.274 -0.814 935 HD11 LEU 113 HD11 LEU 113 11.690 -15.580 0.509 936 HD12 LEU 113 HD12 LEU 113 12.223 -16.960 1.470 937 HD13 LEU 113 HD13 LEU 113 10.510 -16.545 1.394 938 HD21 LEU 113 HD21 LEU 113 11.970 -16.451 -2.111 939 HD22 LEU 113 HD22 LEU 113 12.588 -18.094 -1.942 940 HD23 LEU 113 HD23 LEU 113 13.223 -16.804 -0.921 941 H SER 114 H SER 114 9.435 -20.481 2.542 942 HA SER 114 HA SER 114 7.297 -18.799 3.245 943 HB2 SER 114 HB2 SER 114 7.613 -20.905 4.389 944 HB3 SER 114 HB3 SER 114 9.195 -20.396 4.978 945 HG SER 114 HG SER 114 6.812 -19.004 5.606 946 H LEU 115 H LEU 115 7.545 -16.639 3.229 947 HA LEU 115 HA LEU 115 9.880 -15.231 3.772 948 HB2 LEU 115 HB2 LEU 115 8.250 -13.311 4.146 949 HB3 LEU 115 HB3 LEU 115 8.239 -14.085 2.580 950 HG LEU 115 HG LEU 115 6.304 -15.502 3.861 951 HD11 LEU 115 HD11 LEU 115 5.378 -14.453 5.576 952 HD12 LEU 115 HD12 LEU 115 5.315 -12.927 4.693 953 HD13 LEU 115 HD13 LEU 115 6.771 -13.372 5.582 954 HD21 LEU 115 HD21 LEU 115 5.450 -12.941 2.647 955 HD22 LEU 115 HD22 LEU 115 4.916 -14.589 2.316 956 HD23 LEU 115 HD23 LEU 115 6.446 -14.009 1.659 957 H GLU 116 H GLU 116 7.057 -15.812 5.868 958 HA GLU 116 HA GLU 116 8.729 -15.897 8.204 959 HB2 GLU 116 HB2 GLU 116 7.276 -13.450 7.489 960 HB3 GLU 116 HB3 GLU 116 6.940 -14.022 9.116 961 HG2 GLU 116 HG2 GLU 116 9.069 -13.649 9.841 962 HG3 GLU 116 HG3 GLU 116 9.772 -13.873 8.240 Start of MODEL 19 1 H1 HIS 1 H1 HIS 1 9.255 -11.263 -0.898 2 H2 HIS 1 H2 HIS 1 10.032 -10.253 -2.049 3 H3 HIS 1 H3 HIS 1 8.410 -9.938 -1.584 4 HA HIS 1 HA HIS 1 9.016 -9.274 0.525 5 HB2 HIS 1 HB2 HIS 1 11.061 -11.133 0.161 6 HB3 HIS 1 HB3 HIS 1 11.903 -9.594 0.302 7 HD1 HIS 1 HD1 HIS 1 12.648 -9.291 2.630 8 HD2 HIS 1 HD2 HIS 1 8.914 -11.105 2.437 9 HE1 HIS 1 HE1 HIS 1 11.933 -9.612 5.019 10 HE2 HIS 1 HE2 HIS 1 9.631 -10.627 4.876 11 H SER 2 H SER 2 11.529 -8.943 -1.990 12 HA SER 2 HA SER 2 11.938 -6.172 -1.469 13 HB2 SER 2 HB2 SER 2 13.379 -6.207 -3.429 14 HB3 SER 2 HB3 SER 2 13.675 -7.650 -2.460 15 HG SER 2 HG SER 2 13.084 -7.579 -4.988 16 H VAL 3 H VAL 3 9.984 -7.998 -3.748 17 HA VAL 3 HA VAL 3 8.822 -5.460 -4.693 18 HB VAL 3 HB VAL 3 8.159 -6.771 -6.757 19 HG11 VAL 3 HG11 VAL 3 10.672 -6.782 -7.566 20 HG12 VAL 3 HG12 VAL 3 10.923 -5.954 -6.029 21 HG13 VAL 3 HG13 VAL 3 9.820 -5.275 -7.226 22 HG21 VAL 3 HG21 VAL 3 8.858 -8.886 -7.133 23 HG22 VAL 3 HG22 VAL 3 8.921 -8.952 -5.372 24 HG23 VAL 3 HG23 VAL 3 10.391 -8.642 -6.296 25 HA PRO 4 HA PRO 4 5.061 -6.979 -2.843 26 HB2 PRO 4 HB2 PRO 4 3.647 -5.109 -4.610 27 HB3 PRO 4 HB3 PRO 4 3.740 -5.131 -2.849 28 HG2 PRO 4 HG2 PRO 4 4.987 -3.256 -4.331 29 HG3 PRO 4 HG3 PRO 4 5.663 -3.857 -2.808 30 HD2 PRO 4 HD2 PRO 4 6.410 -4.553 -5.620 31 HD3 PRO 4 HD3 PRO 4 7.451 -4.298 -4.204 32 H GLU 5 H GLU 5 3.234 -8.223 -3.391 33 HA GLU 5 HA GLU 5 3.403 -9.448 -6.015 34 HB2 GLU 5 HB2 GLU 5 2.191 -10.170 -3.392 35 HB3 GLU 5 HB3 GLU 5 1.572 -10.924 -4.847 36 HG2 GLU 5 HG2 GLU 5 4.485 -10.957 -4.631 37 HG3 GLU 5 HG3 GLU 5 3.650 -11.846 -3.358 38 H SER 6 H SER 6 0.580 -8.872 -4.023 39 HA SER 6 HA SER 6 -0.657 -6.968 -5.708 40 HB2 SER 6 HB2 SER 6 -1.150 -9.839 -6.273 41 HB3 SER 6 HB3 SER 6 -2.575 -8.802 -6.217 42 HG SER 6 HG SER 6 -2.012 -8.004 -8.069 43 H ILE 7 H ILE 7 -2.773 -6.333 -4.915 44 HA ILE 7 HA ILE 7 -3.440 -7.523 -2.304 45 HB ILE 7 HB ILE 7 -2.277 -5.396 -1.935 46 HG12 ILE 7 HG12 ILE 7 -5.241 -5.321 -1.329 47 HG13 ILE 7 HG13 ILE 7 -3.995 -6.080 -0.345 48 HG21 ILE 7 HG21 ILE 7 -4.451 -3.727 -2.972 49 HG22 ILE 7 HG22 ILE 7 -3.487 -4.536 -4.208 50 HG23 ILE 7 HG23 ILE 7 -2.705 -3.486 -3.027 51 HD11 ILE 7 HD11 ILE 7 -2.975 -3.708 -0.241 52 HD12 ILE 7 HD12 ILE 7 -4.381 -4.092 0.753 53 HD13 ILE 7 HD13 ILE 7 -4.582 -3.183 -0.745 54 H ARG 8 H ARG 8 -5.514 -8.022 -2.011 55 HA ARG 8 HA ARG 8 -7.490 -6.921 -3.898 56 HB2 ARG 8 HB2 ARG 8 -6.676 -9.527 -3.852 57 HB3 ARG 8 HB3 ARG 8 -8.066 -9.583 -2.778 58 HG2 ARG 8 HG2 ARG 8 -9.532 -8.854 -4.462 59 HG3 ARG 8 HG3 ARG 8 -8.205 -8.330 -5.501 60 HD2 ARG 8 HD2 ARG 8 -7.841 -11.088 -4.917 61 HD3 ARG 8 HD3 ARG 8 -9.513 -10.851 -5.426 62 HE ARG 8 HE ARG 8 -7.590 -9.559 -7.127 63 HH11 ARG 8 HH11 ARG 8 -9.291 -12.534 -6.476 64 HH12 ARG 8 HH12 ARG 8 -9.137 -13.124 -8.097 65 HH21 ARG 8 HH21 ARG 8 -7.386 -10.331 -9.260 66 HH22 ARG 8 HH22 ARG 8 -8.055 -11.873 -9.678 67 H PHE 9 H PHE 9 -8.116 -5.333 -2.396 68 HA PHE 9 HA PHE 9 -9.205 -6.243 0.156 69 HB2 PHE 9 HB2 PHE 9 -9.582 -3.729 0.490 70 HB3 PHE 9 HB3 PHE 9 -7.915 -4.291 0.440 71 HD1 PHE 9 HD1 PHE 9 -6.492 -3.794 -1.476 72 HD2 PHE 9 HD2 PHE 9 -10.480 -2.327 -1.238 73 HE1 PHE 9 HE1 PHE 9 -6.000 -2.177 -3.263 74 HE2 PHE 9 HE2 PHE 9 -9.996 -0.710 -3.027 75 HZ PHE 9 HZ PHE 9 -7.753 -0.633 -4.042 76 H GLY 10 H GLY 10 -10.856 -7.445 -1.160 77 HA2 GLY 10 HA2 GLY 10 -13.185 -7.581 -1.353 78 HA3 GLY 10 HA3 GLY 10 -13.271 -5.827 -1.273 79 HA PRO 11 HA PRO 11 -14.222 -6.849 -5.647 80 HB2 PRO 11 HB2 PRO 11 -15.501 -4.197 -5.536 81 HB3 PRO 11 HB3 PRO 11 -16.182 -5.754 -6.016 82 HG2 PRO 11 HG2 PRO 11 -16.869 -4.569 -3.709 83 HG3 PRO 11 HG3 PRO 11 -16.735 -6.331 -3.850 84 HD2 PRO 11 HD2 PRO 11 -14.805 -4.372 -2.663 85 HD3 PRO 11 HD3 PRO 11 -15.285 -5.978 -2.074 86 H ASN 12 H ASN 12 -12.495 -4.324 -4.103 87 HA ASN 12 HA ASN 12 -11.603 -3.201 -6.659 88 HB2 ASN 12 HB2 ASN 12 -11.676 -2.210 -3.855 89 HB3 ASN 12 HB3 ASN 12 -10.375 -1.628 -4.888 90 HD21 ASN 12 HD21 ASN 12 -10.912 0.364 -5.436 91 HD22 ASN 12 HD22 ASN 12 -12.429 0.853 -6.103 92 H VAL 13 H VAL 13 -10.011 -4.402 -7.500 93 HA VAL 13 HA VAL 13 -7.907 -5.462 -5.765 94 HB VAL 13 HB VAL 13 -8.157 -5.851 -8.747 95 HG11 VAL 13 HG11 VAL 13 -6.006 -6.465 -8.013 96 HG12 VAL 13 HG12 VAL 13 -6.907 -7.976 -8.137 97 HG13 VAL 13 HG13 VAL 13 -6.635 -7.238 -6.558 98 HG21 VAL 13 HG21 VAL 13 -8.994 -8.166 -7.327 99 HG22 VAL 13 HG22 VAL 13 -9.914 -7.178 -8.461 100 HG23 VAL 13 HG23 VAL 13 -9.932 -6.793 -6.740 101 H PHE 14 H PHE 14 -5.708 -4.917 -6.029 102 HA PHE 14 HA PHE 14 -5.147 -2.681 -7.848 103 HB2 PHE 14 HB2 PHE 14 -5.560 -1.655 -5.701 104 HB3 PHE 14 HB3 PHE 14 -4.472 -2.784 -4.905 105 HD1 PHE 14 HD1 PHE 14 -4.388 -0.337 -7.723 106 HD2 PHE 14 HD2 PHE 14 -2.396 -1.999 -4.350 107 HE1 PHE 14 HE1 PHE 14 -2.527 1.239 -8.050 108 HE2 PHE 14 HE2 PHE 14 -0.531 -0.426 -4.671 109 HZ PHE 14 HZ PHE 14 -0.596 1.196 -6.524 110 H TYR 15 H TYR 15 -3.682 -3.464 -9.201 111 HA TYR 15 HA TYR 15 -1.775 -5.473 -8.389 112 HB2 TYR 15 HB2 TYR 15 -2.000 -3.978 -11.011 113 HB3 TYR 15 HB3 TYR 15 -1.042 -5.425 -10.719 114 HD1 TYR 15 HD1 TYR 15 -2.139 -7.603 -10.426 115 HD2 TYR 15 HD2 TYR 15 -4.382 -4.101 -11.324 116 HE1 TYR 15 HE1 TYR 15 -4.061 -9.002 -11.053 117 HE2 TYR 15 HE2 TYR 15 -6.311 -5.491 -11.953 118 HH TYR 15 HH TYR 15 -6.799 -7.745 -12.674 119 H VAL 16 H VAL 16 -0.051 -4.910 -7.259 120 HA VAL 16 HA VAL 16 0.968 -2.350 -6.926 121 HB VAL 16 HB VAL 16 3.091 -3.557 -6.179 122 HG11 VAL 16 HG11 VAL 16 1.739 -4.702 -4.253 123 HG12 VAL 16 HG12 VAL 16 0.363 -3.914 -5.025 124 HG13 VAL 16 HG13 VAL 16 1.717 -2.948 -4.437 125 HG21 VAL 16 HG21 VAL 16 1.674 -6.098 -5.992 126 HG22 VAL 16 HG22 VAL 16 3.340 -5.762 -6.462 127 HG23 VAL 16 HG23 VAL 16 2.046 -5.632 -7.652 128 H LEU 17 H LEU 17 1.440 -4.545 -9.546 129 HA LEU 17 HA LEU 17 3.852 -3.194 -10.458 130 HB2 LEU 17 HB2 LEU 17 2.330 -5.610 -11.366 131 HB3 LEU 17 HB3 LEU 17 3.519 -4.863 -12.415 132 HG LEU 17 HG LEU 17 4.567 -6.689 -11.277 133 HD11 LEU 17 HD11 LEU 17 5.617 -4.234 -11.385 134 HD12 LEU 17 HD12 LEU 17 6.474 -5.616 -10.703 135 HD13 LEU 17 HD13 LEU 17 5.646 -4.479 -9.639 136 HD21 LEU 17 HD21 LEU 17 4.410 -7.168 -9.044 137 HD22 LEU 17 HD22 LEU 17 2.829 -6.436 -9.321 138 HD23 LEU 17 HD23 LEU 17 4.124 -5.488 -8.590 139 H LYS 18 H LYS 18 0.438 -3.206 -11.088 140 HA LYS 18 HA LYS 18 0.817 -1.676 -13.556 141 HB2 LYS 18 HB2 LYS 18 -1.813 -2.585 -12.402 142 HB3 LYS 18 HB3 LYS 18 -1.464 -2.104 -14.057 143 HG2 LYS 18 HG2 LYS 18 0.153 -4.132 -14.035 144 HG3 LYS 18 HG3 LYS 18 -0.810 -4.655 -12.653 145 HD2 LYS 18 HD2 LYS 18 -2.667 -5.041 -13.918 146 HD3 LYS 18 HD3 LYS 18 -2.269 -3.775 -15.082 147 HE2 LYS 18 HE2 LYS 18 -0.417 -6.065 -14.996 148 HE3 LYS 18 HE3 LYS 18 -2.042 -6.420 -15.582 149 HZ1 LYS 18 HZ1 LYS 18 -0.675 -4.067 -16.661 150 HZ2 LYS 18 HZ2 LYS 18 -1.767 -5.118 -17.411 151 HZ3 LYS 18 HZ3 LYS 18 -0.158 -5.589 -17.188 152 H LEU 19 H LEU 19 -0.202 -1.319 -10.255 153 HA LEU 19 HA LEU 19 -0.765 0.498 -9.010 154 HB2 LEU 19 HB2 LEU 19 1.071 1.424 -10.944 155 HB3 LEU 19 HB3 LEU 19 -0.200 2.628 -10.856 156 HG LEU 19 HG LEU 19 0.330 2.144 -8.201 157 HD11 LEU 19 HD11 LEU 19 2.875 2.479 -8.175 158 HD12 LEU 19 HD12 LEU 19 2.838 1.803 -9.804 159 HD13 LEU 19 HD13 LEU 19 2.251 0.851 -8.440 160 HD21 LEU 19 HD21 LEU 19 1.918 4.240 -9.574 161 HD22 LEU 19 HD22 LEU 19 0.883 4.350 -8.150 162 HD23 LEU 19 HD23 LEU 19 0.165 4.286 -9.759 163 H THR 20 H THR 20 -2.735 -0.718 -10.671 164 HA THR 20 HA THR 20 -4.529 1.582 -11.064 165 HB THR 20 HB THR 20 -4.379 -0.888 -12.804 166 HG1 THR 20 HG1 THR 20 -3.549 0.458 -14.336 167 HG21 THR 20 HG21 THR 20 -6.492 1.010 -12.445 168 HG22 THR 20 HG22 THR 20 -6.431 -0.422 -13.472 169 HG23 THR 20 HG23 THR 20 -5.837 1.124 -14.078 170 H VAL 21 H VAL 21 -6.056 1.468 -9.555 171 HA VAL 21 HA VAL 21 -6.813 -1.078 -8.395 172 HB VAL 21 HB VAL 21 -7.964 1.644 -7.778 173 HG11 VAL 21 HG11 VAL 21 -8.461 0.550 -5.583 174 HG12 VAL 21 HG12 VAL 21 -7.971 -0.984 -6.303 175 HG13 VAL 21 HG13 VAL 21 -9.360 -0.109 -6.950 176 HG21 VAL 21 HG21 VAL 21 -5.421 1.364 -7.521 177 HG22 VAL 21 HG22 VAL 21 -5.820 0.294 -6.177 178 HG23 VAL 21 HG23 VAL 21 -6.335 1.980 -6.144 179 H GLU 22 H GLU 22 -8.249 -2.303 -9.421 180 HA GLU 22 HA GLU 22 -10.083 -1.301 -11.349 181 HB2 GLU 22 HB2 GLU 22 -9.039 -3.687 -11.070 182 HB3 GLU 22 HB3 GLU 22 -10.427 -3.969 -10.029 183 HG2 GLU 22 HG2 GLU 22 -11.586 -2.858 -12.237 184 HG3 GLU 22 HG3 GLU 22 -10.261 -3.789 -12.936 185 H THR 23 H THR 23 -12.253 -0.909 -11.218 186 HA THR 23 HA THR 23 -13.509 -1.152 -8.570 187 HB THR 23 HB THR 23 -14.496 1.118 -10.107 188 HG1 THR 23 HG1 THR 23 -11.785 1.154 -9.275 189 HG21 THR 23 HG21 THR 23 -13.314 1.989 -7.729 190 HG22 THR 23 HG22 THR 23 -14.022 0.413 -7.376 191 HG23 THR 23 HG23 THR 23 -15.025 1.700 -8.046 192 HA PRO 24 HA PRO 24 -16.967 -3.234 -10.312 193 HB2 PRO 24 HB2 PRO 24 -18.582 -1.000 -9.154 194 HB3 PRO 24 HB3 PRO 24 -18.833 -2.744 -9.035 195 HG2 PRO 24 HG2 PRO 24 -17.800 -1.377 -7.004 196 HG3 PRO 24 HG3 PRO 24 -17.209 -3.000 -7.408 197 HD2 PRO 24 HD2 PRO 24 -15.927 -0.357 -7.846 198 HD3 PRO 24 HD3 PRO 24 -15.194 -1.945 -7.570 199 H GLU 25 H GLU 25 -16.885 0.289 -10.672 200 HA GLU 25 HA GLU 25 -18.501 0.156 -13.088 201 HB2 GLU 25 HB2 GLU 25 -18.575 1.990 -11.227 202 HB3 GLU 25 HB3 GLU 25 -17.190 2.656 -12.081 203 HG2 GLU 25 HG2 GLU 25 -18.456 2.982 -14.059 204 HG3 GLU 25 HG3 GLU 25 -19.809 2.048 -13.421 205 H GLY 26 H GLY 26 -15.277 1.385 -12.173 206 HA2 GLY 26 HA2 GLY 26 -14.263 0.527 -14.774 207 HA3 GLY 26 HA3 GLY 26 -14.158 2.243 -14.410 208 H SER 27 H SER 27 -12.178 2.792 -13.818 209 HA SER 27 HA SER 27 -10.763 1.084 -11.895 210 HB2 SER 27 HB2 SER 27 -8.659 1.971 -13.317 211 HB3 SER 27 HB3 SER 27 -9.475 0.448 -13.671 212 HG SER 27 HG SER 27 -9.484 1.444 -15.585 213 H VAL 28 H VAL 28 -8.960 2.233 -10.806 214 HA VAL 28 HA VAL 28 -9.429 5.138 -10.664 215 HB VAL 28 HB VAL 28 -8.841 3.378 -8.282 216 HG11 VAL 28 HG11 VAL 28 -8.731 5.242 -7.021 217 HG12 VAL 28 HG12 VAL 28 -9.977 6.073 -7.952 218 HG13 VAL 28 HG13 VAL 28 -8.320 6.012 -8.553 219 HG21 VAL 28 HG21 VAL 28 -11.220 3.427 -9.587 220 HG22 VAL 28 HG22 VAL 28 -11.436 4.745 -8.436 221 HG23 VAL 28 HG23 VAL 28 -11.036 3.127 -7.859 222 H HIS 29 H HIS 29 -7.637 5.952 -11.581 223 HA HIS 29 HA HIS 29 -5.058 4.724 -11.279 224 HB2 HIS 29 HB2 HIS 29 -6.029 6.174 -13.255 225 HB3 HIS 29 HB3 HIS 29 -5.398 7.515 -12.304 226 HD1 HIS 29 HD1 HIS 29 -4.389 6.077 -15.135 227 HD2 HIS 29 HD2 HIS 29 -2.533 6.200 -11.419 228 HE1 HIS 29 HE1 HIS 29 -1.944 5.710 -15.593 229 HE2 HIS 29 HE2 HIS 29 -0.829 5.884 -13.340 230 H LEU 30 H LEU 30 -3.442 5.249 -9.913 231 HA LEU 30 HA LEU 30 -3.761 7.634 -8.226 232 HB2 LEU 30 HB2 LEU 30 -2.888 6.255 -6.304 233 HB3 LEU 30 HB3 LEU 30 -4.531 5.910 -6.809 234 HG LEU 30 HG LEU 30 -3.639 3.952 -8.105 235 HD11 LEU 30 HD11 LEU 30 -1.123 5.038 -7.037 236 HD12 LEU 30 HD12 LEU 30 -1.425 4.077 -8.485 237 HD13 LEU 30 HD13 LEU 30 -1.312 3.289 -6.911 238 HD21 LEU 30 HD21 LEU 30 -4.608 3.902 -5.747 239 HD22 LEU 30 HD22 LEU 30 -2.940 3.755 -5.192 240 HD23 LEU 30 HD23 LEU 30 -3.631 2.521 -6.247 241 H THR 31 H THR 31 -1.684 8.050 -6.952 242 HA THR 31 HA THR 31 0.514 7.988 -8.841 243 HB THR 31 HB THR 31 0.745 9.169 -6.101 244 HG1 THR 31 HG1 THR 31 -0.840 10.163 -8.217 245 HG21 THR 31 HG21 THR 31 2.682 9.462 -7.406 246 HG22 THR 31 HG22 THR 31 1.833 11.008 -7.425 247 HG23 THR 31 HG23 THR 31 1.745 9.936 -8.823 248 HA PRO 32 HA PRO 32 2.481 4.488 -6.979 249 HB2 PRO 32 HB2 PRO 32 5.039 4.926 -7.813 250 HB3 PRO 32 HB3 PRO 32 3.768 4.297 -8.868 251 HG2 PRO 32 HG2 PRO 32 4.804 7.093 -8.609 252 HG3 PRO 32 HG3 PRO 32 4.391 6.183 -10.074 253 HD2 PRO 32 HD2 PRO 32 2.734 8.030 -9.010 254 HD3 PRO 32 HD3 PRO 32 2.129 6.578 -9.834 255 H SER 33 H SER 33 3.467 7.737 -6.340 256 HA SER 33 HA SER 33 5.319 7.059 -4.256 257 HB2 SER 33 HB2 SER 33 5.353 9.477 -3.783 258 HB3 SER 33 HB3 SER 33 5.569 9.164 -5.505 259 HG SER 33 HG SER 33 3.464 10.367 -4.165 260 H GLU 34 H GLU 34 1.964 7.976 -4.474 261 HA GLU 34 HA GLU 34 1.640 8.037 -1.607 262 HB2 GLU 34 HB2 GLU 34 -0.322 8.266 -3.888 263 HB3 GLU 34 HB3 GLU 34 -0.818 8.270 -2.202 264 HG2 GLU 34 HG2 GLU 34 1.052 10.196 -2.138 265 HG3 GLU 34 HG3 GLU 34 0.489 10.366 -3.800 266 H SER 35 H SER 35 0.917 5.923 -4.279 267 HA SER 35 HA SER 35 -0.339 3.955 -2.594 268 HB2 SER 35 HB2 SER 35 -0.871 2.842 -4.527 269 HB3 SER 35 HB3 SER 35 -0.563 4.429 -5.228 270 HG SER 35 HG SER 35 1.154 2.181 -5.155 271 H GLY 36 H GLY 36 2.798 4.968 -3.174 272 HA2 GLY 36 HA2 GLY 36 4.109 2.424 -2.981 273 HA3 GLY 36 HA3 GLY 36 4.873 4.001 -2.879 274 H ILE 37 H ILE 37 3.057 4.916 -0.770 275 HA ILE 37 HA ILE 37 4.561 3.985 1.462 276 HB ILE 37 HB ILE 37 1.980 5.552 1.494 277 HG12 ILE 37 HG12 ILE 37 4.108 7.245 2.124 278 HG13 ILE 37 HG13 ILE 37 4.694 6.293 0.764 279 HG21 ILE 37 HG21 ILE 37 3.288 6.326 3.709 280 HG22 ILE 37 HG22 ILE 37 3.847 4.657 3.595 281 HG23 ILE 37 HG23 ILE 37 2.120 5.005 3.679 282 HD11 ILE 37 HD11 ILE 37 3.709 8.199 -0.163 283 HD12 ILE 37 HD12 ILE 37 2.300 8.085 0.892 284 HD13 ILE 37 HD13 ILE 37 2.536 6.904 -0.397 285 H LEU 38 H LEU 38 1.252 3.480 0.399 286 HA LEU 38 HA LEU 38 0.594 1.677 2.509 287 HB2 LEU 38 HB2 LEU 38 -1.444 1.284 1.351 288 HB3 LEU 38 HB3 LEU 38 -1.068 2.985 1.153 289 HG LEU 38 HG LEU 38 0.023 2.120 -1.105 290 HD11 LEU 38 HD11 LEU 38 -0.948 -0.253 -0.192 291 HD12 LEU 38 HD12 LEU 38 -0.633 0.125 -1.885 292 HD13 LEU 38 HD13 LEU 38 -2.263 0.294 -1.232 293 HD21 LEU 38 HD21 LEU 38 -1.928 2.827 -2.236 294 HD22 LEU 38 HD22 LEU 38 -1.871 3.748 -0.733 295 HD23 LEU 38 HD23 LEU 38 -2.962 2.371 -0.883 296 H LYS 39 H LYS 39 2.341 1.429 -0.407 297 HA LYS 39 HA LYS 39 1.944 -1.358 -0.866 298 HB2 LYS 39 HB2 LYS 39 2.568 0.113 -2.702 299 HB3 LYS 39 HB3 LYS 39 4.058 0.546 -1.877 300 HG2 LYS 39 HG2 LYS 39 4.466 -2.058 -1.983 301 HG3 LYS 39 HG3 LYS 39 3.348 -1.936 -3.342 302 HD2 LYS 39 HD2 LYS 39 5.579 0.021 -3.202 303 HD3 LYS 39 HD3 LYS 39 5.970 -1.643 -3.641 304 HE2 LYS 39 HE2 LYS 39 4.607 -1.577 -5.548 305 HE3 LYS 39 HE3 LYS 39 3.752 -0.139 -4.992 306 HZ1 LYS 39 HZ1 LYS 39 6.559 -0.283 -5.947 307 HZ2 LYS 39 HZ2 LYS 39 5.863 1.096 -5.260 308 HZ3 LYS 39 HZ3 LYS 39 5.260 0.482 -6.715 309 H ARG 40 H ARG 40 4.340 0.610 0.774 310 HA ARG 40 HA ARG 40 6.147 -1.513 1.301 311 HB2 ARG 40 HB2 ARG 40 5.783 1.083 2.807 312 HB3 ARG 40 HB3 ARG 40 7.170 0.011 2.937 313 HG2 ARG 40 HG2 ARG 40 6.533 0.913 0.213 314 HG3 ARG 40 HG3 ARG 40 7.064 2.172 1.330 315 HD2 ARG 40 HD2 ARG 40 8.943 1.185 0.100 316 HD3 ARG 40 HD3 ARG 40 9.074 0.909 1.836 317 HE ARG 40 HE ARG 40 8.872 -1.344 1.464 318 HH11 ARG 40 HH11 ARG 40 7.950 0.375 -1.430 319 HH12 ARG 40 HH12 ARG 40 7.858 -1.056 -2.400 320 HH21 ARG 40 HH21 ARG 40 8.750 -3.227 0.190 321 HH22 ARG 40 HH22 ARG 40 8.311 -3.101 -1.481 322 H LEU 41 H LEU 41 3.383 -0.232 2.978 323 HA LEU 41 HA LEU 41 3.788 -1.889 5.308 324 HB2 LEU 41 HB2 LEU 41 2.196 0.364 4.642 325 HB3 LEU 41 HB3 LEU 41 1.094 -0.923 5.088 326 HG LEU 41 HG LEU 41 2.523 -1.189 7.199 327 HD11 LEU 41 HD11 LEU 41 3.542 1.438 6.153 328 HD12 LEU 41 HD12 LEU 41 4.472 0.022 6.643 329 HD13 LEU 41 HD13 LEU 41 3.627 0.985 7.855 330 HD21 LEU 41 HD21 LEU 41 1.154 1.469 7.063 331 HD22 LEU 41 HD22 LEU 41 1.151 0.276 8.361 332 HD23 LEU 41 HD23 LEU 41 0.236 -0.026 6.885 333 H LEU 42 H LEU 42 2.452 -2.244 2.201 334 HA LEU 42 HA LEU 42 0.574 -4.311 2.865 335 HB2 LEU 42 HB2 LEU 42 1.285 -2.773 0.540 336 HB3 LEU 42 HB3 LEU 42 1.251 -4.478 0.133 337 HG LEU 42 HG LEU 42 -0.900 -3.392 -0.309 338 HD11 LEU 42 HD11 LEU 42 -1.373 -5.575 0.041 339 HD12 LEU 42 HD12 LEU 42 -2.210 -4.921 1.448 340 HD13 LEU 42 HD13 LEU 42 -0.594 -5.606 1.623 341 HD21 LEU 42 HD21 LEU 42 -0.540 -2.501 2.484 342 HD22 LEU 42 HD22 LEU 42 -2.173 -2.971 2.013 343 HD23 LEU 42 HD23 LEU 42 -1.331 -1.699 1.127 344 H ILE 43 H ILE 43 3.931 -4.086 2.023 345 HA ILE 43 HA ILE 43 4.323 -6.779 1.228 346 HB ILE 43 HB ILE 43 6.479 -5.255 2.649 347 HG12 ILE 43 HG12 ILE 43 5.596 -3.545 1.228 348 HG13 ILE 43 HG13 ILE 43 7.021 -4.189 0.423 349 HG21 ILE 43 HG21 ILE 43 6.330 -7.272 0.434 350 HG22 ILE 43 HG22 ILE 43 7.186 -7.373 1.973 351 HG23 ILE 43 HG23 ILE 43 7.780 -6.304 0.703 352 HD11 ILE 43 HD11 ILE 43 4.243 -5.112 -0.226 353 HD12 ILE 43 HD12 ILE 43 5.723 -5.360 -1.152 354 HD13 ILE 43 HD13 ILE 43 5.017 -3.749 -1.030 355 H ASN 44 H ASN 44 4.142 -5.162 4.316 356 HA ASN 44 HA ASN 44 4.953 -7.556 5.759 357 HB2 ASN 44 HB2 ASN 44 4.079 -4.849 6.784 358 HB3 ASN 44 HB3 ASN 44 4.721 -6.157 7.769 359 HD21 ASN 44 HD21 ASN 44 5.485 -3.935 5.158 360 HD22 ASN 44 HD22 ASN 44 7.191 -3.912 5.431 361 H LYS 45 H LYS 45 2.148 -5.573 5.173 362 HA LYS 45 HA LYS 45 -0.075 -5.853 5.527 363 HB2 LYS 45 HB2 LYS 45 0.930 -8.597 4.936 364 HB3 LYS 45 HB3 LYS 45 -0.738 -8.409 5.456 365 HG2 LYS 45 HG2 LYS 45 -0.015 -6.515 3.383 366 HG3 LYS 45 HG3 LYS 45 0.210 -8.190 2.878 367 HD2 LYS 45 HD2 LYS 45 -2.272 -7.941 4.290 368 HD3 LYS 45 HD3 LYS 45 -2.195 -6.720 3.019 369 HE2 LYS 45 HE2 LYS 45 -1.221 -9.211 2.002 370 HE3 LYS 45 HE3 LYS 45 -2.787 -9.468 2.768 371 HZ1 LYS 45 HZ1 LYS 45 -2.486 -8.631 0.260 372 HZ2 LYS 45 HZ2 LYS 45 -2.600 -7.140 1.049 373 HZ3 LYS 45 HZ3 LYS 45 -3.844 -8.275 1.204 374 H GLY 46 H GLY 46 -0.199 -5.049 7.609 375 HA2 GLY 46 HA2 GLY 46 -1.090 -5.199 9.731 376 HA3 GLY 46 HA3 GLY 46 -1.110 -6.940 9.577 377 H GLN 47 H GLN 47 1.512 -4.530 9.491 378 HA GLN 47 HA GLN 47 2.736 -5.921 11.779 379 HB2 GLN 47 HB2 GLN 47 3.917 -5.156 9.153 380 HB3 GLN 47 HB3 GLN 47 4.934 -5.028 10.580 381 HG2 GLN 47 HG2 GLN 47 3.487 -7.521 9.715 382 HG3 GLN 47 HG3 GLN 47 5.186 -7.172 9.399 383 HE21 GLN 47 HE21 GLN 47 6.411 -6.528 11.464 384 HE22 GLN 47 HE22 GLN 47 6.143 -7.545 12.834 385 H LEU 48 H LEU 48 4.041 -4.606 13.162 386 HA LEU 48 HA LEU 48 2.971 -2.003 13.561 387 HB2 LEU 48 HB2 LEU 48 4.515 -3.861 15.038 388 HB3 LEU 48 HB3 LEU 48 5.427 -2.363 14.994 389 HG LEU 48 HG LEU 48 2.587 -2.668 15.973 390 HD11 LEU 48 HD11 LEU 48 4.856 -1.801 17.686 391 HD12 LEU 48 HD12 LEU 48 4.675 -3.519 17.329 392 HD13 LEU 48 HD13 LEU 48 3.366 -2.639 18.119 393 HD21 LEU 48 HD21 LEU 48 3.762 -0.418 14.903 394 HD22 LEU 48 HD22 LEU 48 4.011 -0.222 16.637 395 HD23 LEU 48 HD23 LEU 48 2.382 -0.448 16.000 396 H CYS 49 H CYS 49 3.485 -0.247 12.460 397 HA CYS 49 HA CYS 49 6.276 0.126 11.609 398 HB2 CYS 49 HB2 CYS 49 3.814 0.803 9.984 399 HB3 CYS 49 HB3 CYS 49 5.474 1.164 9.524 400 HG CYS 49 HG CYS 49 4.778 -1.814 9.896 401 H LEU 50 H LEU 50 6.301 1.322 13.654 402 HA LEU 50 HA LEU 50 4.825 3.459 14.429 403 HB2 LEU 50 HB2 LEU 50 7.839 3.394 14.524 404 HB3 LEU 50 HB3 LEU 50 6.782 4.323 15.566 405 HG LEU 50 HG LEU 50 7.269 2.599 16.974 406 HD11 LEU 50 HD11 LEU 50 4.787 2.612 16.387 407 HD12 LEU 50 HD12 LEU 50 5.422 1.188 17.211 408 HD13 LEU 50 HD13 LEU 50 5.120 1.141 15.474 409 HD21 LEU 50 HD21 LEU 50 7.175 0.178 15.567 410 HD22 LEU 50 HD22 LEU 50 8.598 0.999 16.208 411 HD23 LEU 50 HD23 LEU 50 8.080 1.298 14.549 412 H ARG 51 H ARG 51 5.412 5.818 14.382 413 HA ARG 51 HA ARG 51 5.050 6.931 11.916 414 HB2 ARG 51 HB2 ARG 51 5.576 7.881 14.524 415 HB3 ARG 51 HB3 ARG 51 6.679 8.723 13.445 416 HG2 ARG 51 HG2 ARG 51 4.933 9.668 12.209 417 HG3 ARG 51 HG3 ARG 51 3.746 8.533 12.855 418 HD2 ARG 51 HD2 ARG 51 4.616 9.697 15.134 419 HD3 ARG 51 HD3 ARG 51 4.802 11.033 13.999 420 HE ARG 51 HE ARG 51 2.255 9.792 13.744 421 HH11 ARG 51 HH11 ARG 51 4.078 12.018 15.719 422 HH12 ARG 51 HH12 ARG 51 2.675 12.868 16.275 423 HH21 ARG 51 HH21 ARG 51 0.410 10.911 14.471 424 HH22 ARG 51 HH22 ARG 51 0.593 12.240 15.567 425 H LYS 52 H LYS 52 8.153 7.003 13.591 426 HA LYS 52 HA LYS 52 9.726 7.891 11.497 427 HB2 LYS 52 HB2 LYS 52 10.259 7.390 14.036 428 HB3 LYS 52 HB3 LYS 52 10.862 5.873 13.383 429 HG2 LYS 52 HG2 LYS 52 12.684 6.830 12.506 430 HG3 LYS 52 HG3 LYS 52 11.795 8.250 11.952 431 HD2 LYS 52 HD2 LYS 52 12.029 8.084 14.860 432 HD3 LYS 52 HD3 LYS 52 13.586 8.188 14.035 433 HE2 LYS 52 HE2 LYS 52 13.238 10.313 13.383 434 HE3 LYS 52 HE3 LYS 52 11.536 10.029 13.025 435 HZ1 LYS 52 HZ1 LYS 52 12.442 11.473 15.100 436 HZ2 LYS 52 HZ2 LYS 52 12.191 9.971 15.836 437 HZ3 LYS 52 HZ3 LYS 52 10.917 10.744 15.037 438 H HIS 53 H HIS 53 8.208 4.846 11.797 439 HA HIS 53 HA HIS 53 10.066 3.547 9.976 440 HB2 HIS 53 HB2 HIS 53 7.979 2.671 11.826 441 HB3 HIS 53 HB3 HIS 53 7.894 1.848 10.272 442 HD1 HIS 53 HD1 HIS 53 11.046 2.873 12.111 443 HD2 HIS 53 HD2 HIS 53 9.016 -0.552 10.922 444 HE1 HIS 53 HE1 HIS 53 12.586 0.959 12.648 445 HE2 HIS 53 HE2 HIS 53 11.371 -1.096 11.842 446 H LEU 54 H LEU 54 7.317 5.497 9.814 447 HA LEU 54 HA LEU 54 6.403 4.396 7.292 448 HB2 LEU 54 HB2 LEU 54 4.942 5.395 9.230 449 HB3 LEU 54 HB3 LEU 54 5.332 6.925 8.467 450 HG LEU 54 HG LEU 54 4.471 5.638 6.301 451 HD11 LEU 54 HD11 LEU 54 2.478 4.517 8.153 452 HD12 LEU 54 HD12 LEU 54 4.029 3.678 8.093 453 HD13 LEU 54 HD13 LEU 54 3.085 3.895 6.619 454 HD21 LEU 54 HD21 LEU 54 2.433 6.801 6.527 455 HD22 LEU 54 HD22 LEU 54 3.628 7.755 7.405 456 HD23 LEU 54 HD23 LEU 54 2.497 6.729 8.288 457 H LEU 55 H LEU 55 8.215 7.129 8.496 458 HA LEU 55 HA LEU 55 8.242 8.320 5.843 459 HB2 LEU 55 HB2 LEU 55 9.850 9.980 6.888 460 HB3 LEU 55 HB3 LEU 55 8.202 10.001 7.465 461 HG LEU 55 HG LEU 55 10.142 10.253 9.141 462 HD11 LEU 55 HD11 LEU 55 8.421 8.157 10.186 463 HD12 LEU 55 HD12 LEU 55 7.549 9.446 9.365 464 HD13 LEU 55 HD13 LEU 55 8.624 9.824 10.711 465 HD21 LEU 55 HD21 LEU 55 11.012 8.184 10.050 466 HD22 LEU 55 HD22 LEU 55 11.433 8.326 8.343 467 HD23 LEU 55 HD23 LEU 55 10.124 7.258 8.842 468 H GLU 56 H GLU 56 9.882 5.891 7.447 469 HA GLU 56 HA GLU 56 12.417 6.337 6.116 470 HB2 GLU 56 HB2 GLU 56 13.275 4.552 7.374 471 HB3 GLU 56 HB3 GLU 56 12.153 5.351 8.465 472 HG2 GLU 56 HG2 GLU 56 11.607 3.165 8.815 473 HG3 GLU 56 HG3 GLU 56 10.464 3.584 7.540 474 H GLU 57 H GLU 57 9.491 4.522 5.680 475 HA GLU 57 HA GLU 57 10.656 2.763 3.710 476 HB2 GLU 57 HB2 GLU 57 8.347 1.970 3.339 477 HB3 GLU 57 HB3 GLU 57 8.808 1.918 5.031 478 HG2 GLU 57 HG2 GLU 57 7.663 4.309 5.007 479 HG3 GLU 57 HG3 GLU 57 6.795 3.584 3.656 480 H ILE 58 H ILE 58 9.167 5.863 3.740 481 HA ILE 58 HA ILE 58 8.800 5.854 0.845 482 HB ILE 58 HB ILE 58 8.562 8.498 1.989 483 HG12 ILE 58 HG12 ILE 58 7.943 7.055 4.012 484 HG13 ILE 58 HG13 ILE 58 6.789 8.278 3.511 485 HG21 ILE 58 HG21 ILE 58 6.644 6.659 0.576 486 HG22 ILE 58 HG22 ILE 58 7.639 7.929 -0.137 487 HG23 ILE 58 HG23 ILE 58 6.314 8.352 0.947 488 HD11 ILE 58 HD11 ILE 58 6.073 5.952 2.128 489 HD12 ILE 58 HD12 ILE 58 5.237 6.710 3.485 490 HD13 ILE 58 HD13 ILE 58 6.435 5.456 3.779 491 H LYS 59 H LYS 59 11.042 6.752 3.272 492 HA LYS 59 HA LYS 59 12.523 8.653 1.739 493 HB2 LYS 59 HB2 LYS 59 12.599 8.676 4.180 494 HB3 LYS 59 HB3 LYS 59 13.280 7.055 4.192 495 HG2 LYS 59 HG2 LYS 59 15.325 7.806 3.270 496 HG3 LYS 59 HG3 LYS 59 14.646 9.387 2.878 497 HD2 LYS 59 HD2 LYS 59 15.111 10.177 4.911 498 HD3 LYS 59 HD3 LYS 59 14.360 8.785 5.694 499 HE2 LYS 59 HE2 LYS 59 17.189 9.039 4.694 500 HE3 LYS 59 HE3 LYS 59 16.648 8.835 6.360 501 HZ1 LYS 59 HZ1 LYS 59 15.594 6.672 5.227 502 HZ2 LYS 59 HZ2 LYS 59 17.129 6.694 5.937 503 HZ3 LYS 59 HZ3 LYS 59 16.972 6.857 4.261 504 H ASN 60 H ASN 60 12.493 5.193 2.086 505 HA ASN 60 HA ASN 60 14.986 4.910 0.634 506 HB2 ASN 60 HB2 ASN 60 13.463 3.264 2.454 507 HB3 ASN 60 HB3 ASN 60 13.821 2.377 0.976 508 HD21 ASN 60 HD21 ASN 60 15.147 3.954 3.769 509 HD22 ASN 60 HD22 ASN 60 16.744 3.311 3.627 510 H HIS 61 H HIS 61 12.674 6.114 -0.637 511 HA HIS 61 HA HIS 61 12.680 4.621 -3.062 512 HB2 HIS 61 HB2 HIS 61 10.891 3.543 -1.538 513 HB3 HIS 61 HB3 HIS 61 9.961 5.007 -1.832 514 HD1 HIS 61 HD1 HIS 61 12.023 3.184 -4.425 515 HD2 HIS 61 HD2 HIS 61 8.049 3.957 -3.493 516 HE1 HIS 61 HE1 HIS 61 10.696 2.338 -6.387 517 HE2 HIS 61 HE2 HIS 61 8.303 2.908 -5.844 518 H ALA 62 H ALA 62 10.820 7.075 -1.272 519 HA ALA 62 HA ALA 62 11.651 9.254 -2.802 520 HB1 ALA 62 HB1 ALA 62 9.307 9.584 -3.939 521 HB2 ALA 62 HB2 ALA 62 9.261 7.823 -3.856 522 HB3 ALA 62 HB3 ALA 62 10.566 8.631 -4.724 523 H LYS 63 H LYS 63 11.690 10.100 -0.679 524 HA LYS 63 HA LYS 63 9.089 10.536 0.609 525 HB2 LYS 63 HB2 LYS 63 10.350 11.154 2.601 526 HB3 LYS 63 HB3 LYS 63 10.873 9.584 2.010 527 HG2 LYS 63 HG2 LYS 63 12.931 10.423 2.285 528 HG3 LYS 63 HG3 LYS 63 12.624 11.220 0.741 529 HD2 LYS 63 HD2 LYS 63 12.365 13.265 1.697 530 HD3 LYS 63 HD3 LYS 63 11.658 12.604 3.173 531 HE2 LYS 63 HE2 LYS 63 14.238 11.648 3.234 532 HE3 LYS 63 HE3 LYS 63 14.430 13.262 2.552 533 HZ1 LYS 63 HZ1 LYS 63 14.432 13.877 4.692 534 HZ2 LYS 63 HZ2 LYS 63 13.668 12.465 5.226 535 HZ3 LYS 63 HZ3 LYS 63 12.750 13.732 4.583 536 H ALA 64 H ALA 64 9.772 11.977 -1.754 537 HA ALA 64 HA ALA 64 9.384 14.658 -0.737 538 HB1 ALA 64 HB1 ALA 64 11.193 15.503 -2.376 539 HB2 ALA 64 HB2 ALA 64 11.840 13.867 -2.251 540 HB3 ALA 64 HB3 ALA 64 11.692 14.869 -0.807 541 H ILE 65 H ILE 65 7.719 12.854 -2.143 542 HA ILE 65 HA ILE 65 7.642 13.513 -4.918 543 HB ILE 65 HB ILE 65 6.651 11.435 -4.093 544 HG12 ILE 65 HG12 ILE 65 4.166 12.123 -5.032 545 HG13 ILE 65 HG13 ILE 65 5.169 13.414 -5.686 546 HG21 ILE 65 HG21 ILE 65 5.080 11.279 -2.484 547 HG22 ILE 65 HG22 ILE 65 4.259 12.756 -2.990 548 HG23 ILE 65 HG23 ILE 65 5.723 12.852 -2.010 549 HD11 ILE 65 HD11 ILE 65 6.439 10.868 -6.066 550 HD12 ILE 65 HD12 ILE 65 5.960 12.077 -7.257 551 HD13 ILE 65 HD13 ILE 65 4.802 10.858 -6.724 552 H VAL 66 H VAL 66 7.889 15.866 -4.487 553 HA VAL 66 HA VAL 66 7.113 17.998 -4.274 554 HB VAL 66 HB VAL 66 6.112 17.295 -6.425 555 HG11 VAL 66 HG11 VAL 66 3.759 16.601 -4.684 556 HG12 VAL 66 HG12 VAL 66 4.624 15.560 -5.815 557 HG13 VAL 66 HG13 VAL 66 3.622 16.880 -6.420 558 HG21 VAL 66 HG21 VAL 66 5.748 19.576 -5.118 559 HG22 VAL 66 HG22 VAL 66 4.063 19.059 -5.209 560 HG23 VAL 66 HG23 VAL 66 5.005 19.263 -6.687 561 H ALA 67 H ALA 67 6.761 16.509 -1.923 562 HA ALA 67 HA ALA 67 4.323 17.764 -0.845 563 HB1 ALA 67 HB1 ALA 67 5.463 15.115 0.038 564 HB2 ALA 67 HB2 ALA 67 4.071 15.310 -1.027 565 HB3 ALA 67 HB3 ALA 67 3.995 15.888 0.637 566 H ARG 68 H ARG 68 4.636 17.394 1.795 567 HA ARG 68 HA ARG 68 7.191 18.731 2.378 568 HB2 ARG 68 HB2 ARG 68 4.669 18.981 4.006 569 HB3 ARG 68 HB3 ARG 68 6.117 19.973 4.106 570 HG2 ARG 68 HG2 ARG 68 5.609 21.145 2.181 571 HG3 ARG 68 HG3 ARG 68 4.543 19.880 1.570 572 HD2 ARG 68 HD2 ARG 68 2.799 20.945 2.435 573 HD3 ARG 68 HD3 ARG 68 3.488 20.754 4.046 574 HE ARG 68 HE ARG 68 4.593 22.963 2.581 575 HH11 ARG 68 HH11 ARG 68 1.983 21.934 4.655 576 HH12 ARG 68 HH12 ARG 68 1.649 23.530 5.237 577 HH21 ARG 68 HH21 ARG 68 4.156 25.063 3.346 578 HH22 ARG 68 HH22 ARG 68 2.882 25.307 4.494 579 H ASN 69 H ASN 69 5.008 16.200 3.288 580 HA ASN 69 HA ASN 69 7.064 14.884 4.801 581 HB2 ASN 69 HB2 ASN 69 5.249 14.668 6.763 582 HB3 ASN 69 HB3 ASN 69 6.476 15.929 6.741 583 HD21 ASN 69 HD21 ASN 69 3.608 15.729 4.710 584 HD22 ASN 69 HD22 ASN 69 2.848 17.150 5.330 585 H VAL 70 H VAL 70 5.984 12.847 5.929 586 HA VAL 70 HA VAL 70 4.526 11.510 3.800 587 HB VAL 70 HB VAL 70 6.494 10.392 4.764 588 HG11 VAL 70 HG11 VAL 70 4.860 10.341 7.297 589 HG12 VAL 70 HG12 VAL 70 6.379 11.200 7.033 590 HG13 VAL 70 HG13 VAL 70 6.352 9.437 7.035 591 HG21 VAL 70 HG21 VAL 70 3.832 9.048 5.159 592 HG22 VAL 70 HG22 VAL 70 5.370 8.198 5.310 593 HG23 VAL 70 HG23 VAL 70 4.917 8.935 3.772 594 H ASP 71 H ASP 71 3.990 12.748 6.976 595 HA ASP 71 HA ASP 71 1.734 11.240 7.692 596 HB2 ASP 71 HB2 ASP 71 3.206 13.289 8.851 597 HB3 ASP 71 HB3 ASP 71 1.609 13.993 8.619 598 H VAL 72 H VAL 72 1.754 14.584 6.580 599 HA VAL 72 HA VAL 72 -0.965 14.743 6.000 600 HB VAL 72 HB VAL 72 1.229 16.245 4.564 601 HG11 VAL 72 HG11 VAL 72 -1.555 16.246 4.201 602 HG12 VAL 72 HG12 VAL 72 -0.380 17.378 3.532 603 HG13 VAL 72 HG13 VAL 72 -1.174 17.735 5.066 604 HG21 VAL 72 HG21 VAL 72 -0.095 16.732 7.221 605 HG22 VAL 72 HG22 VAL 72 0.718 18.010 6.317 606 HG23 VAL 72 HG23 VAL 72 1.627 16.600 6.862 607 H HIS 73 H HIS 73 1.601 13.234 4.273 608 HA HIS 73 HA HIS 73 0.325 13.177 1.725 609 HB2 HIS 73 HB2 HIS 73 2.856 12.694 2.511 610 HB3 HIS 73 HB3 HIS 73 2.259 11.040 2.420 611 HD1 HIS 73 HD1 HIS 73 1.633 13.988 0.096 612 HD2 HIS 73 HD2 HIS 73 3.160 10.124 0.039 613 HE1 HIS 73 HE1 HIS 73 2.159 13.509 -2.316 614 HE2 HIS 73 HE2 HIS 73 3.021 11.141 -2.335 615 H ILE 74 H ILE 74 0.190 11.261 4.606 616 HA ILE 74 HA ILE 74 -0.933 8.920 3.503 617 HB ILE 74 HB ILE 74 -1.188 10.077 6.281 618 HG12 ILE 74 HG12 ILE 74 0.339 7.600 5.711 619 HG13 ILE 74 HG13 ILE 74 1.035 9.102 5.111 620 HG21 ILE 74 HG21 ILE 74 -1.874 7.756 6.926 621 HG22 ILE 74 HG22 ILE 74 -2.071 7.405 5.209 622 HG23 ILE 74 HG23 ILE 74 -3.066 8.642 5.977 623 HD11 ILE 74 HD11 ILE 74 0.375 9.774 7.665 624 HD12 ILE 74 HD12 ILE 74 1.966 9.229 7.132 625 HD13 ILE 74 HD13 ILE 74 0.828 8.078 7.834 626 H ALA 75 H ALA 75 -2.249 12.013 4.360 627 HA ALA 75 HA ALA 75 -4.974 11.282 4.446 628 HB1 ALA 75 HB1 ALA 75 -4.048 14.001 3.615 629 HB2 ALA 75 HB2 ALA 75 -3.853 13.446 5.277 630 HB3 ALA 75 HB3 ALA 75 -5.464 13.554 4.566 631 H SER 76 H SER 76 -3.068 12.814 1.903 632 HA SER 76 HA SER 76 -5.082 12.761 -0.061 633 HB2 SER 76 HB2 SER 76 -2.850 14.041 -0.112 634 HB3 SER 76 HB3 SER 76 -2.136 12.533 -0.680 635 HG SER 76 HG SER 76 -2.796 13.937 -2.392 636 H LEU 77 H LEU 77 -3.049 10.329 1.234 637 HA LEU 77 HA LEU 77 -3.060 8.483 -0.884 638 HB2 LEU 77 HB2 LEU 77 -2.083 8.586 1.738 639 HB3 LEU 77 HB3 LEU 77 -3.181 7.220 1.714 640 HG LEU 77 HG LEU 77 -1.714 6.812 -0.569 641 HD11 LEU 77 HD11 LEU 77 0.034 8.222 -0.409 642 HD12 LEU 77 HD12 LEU 77 0.654 6.983 0.681 643 HD13 LEU 77 HD13 LEU 77 -0.140 8.415 1.335 644 HD21 LEU 77 HD21 LEU 77 -0.897 4.927 0.523 645 HD22 LEU 77 HD22 LEU 77 -2.378 5.292 1.407 646 HD23 LEU 77 HD23 LEU 77 -0.814 5.745 2.083 647 H ARG 78 H ARG 78 -5.227 9.092 1.789 648 HA ARG 78 HA ARG 78 -6.928 6.929 1.543 649 HB2 ARG 78 HB2 ARG 78 -7.030 9.576 2.768 650 HB3 ARG 78 HB3 ARG 78 -8.611 8.994 2.272 651 HG2 ARG 78 HG2 ARG 78 -8.583 7.239 3.751 652 HG3 ARG 78 HG3 ARG 78 -6.820 7.191 3.824 653 HD2 ARG 78 HD2 ARG 78 -7.271 9.650 4.825 654 HD3 ARG 78 HD3 ARG 78 -8.742 8.831 5.347 655 HE ARG 78 HE ARG 78 -6.796 7.111 6.086 656 HH11 ARG 78 HH11 ARG 78 -7.275 10.526 6.619 657 HH12 ARG 78 HH12 ARG 78 -6.446 10.533 8.139 658 HH21 ARG 78 HH21 ARG 78 -5.706 7.117 8.085 659 HH22 ARG 78 HH22 ARG 78 -5.555 8.597 8.972 660 H LYS 79 H LYS 79 -6.589 9.679 -0.513 661 HA LYS 79 HA LYS 79 -9.169 9.282 -1.767 662 HB2 LYS 79 HB2 LYS 79 -6.922 11.225 -2.198 663 HB3 LYS 79 HB3 LYS 79 -8.239 11.091 -3.355 664 HG2 LYS 79 HG2 LYS 79 -9.681 11.360 -1.132 665 HG3 LYS 79 HG3 LYS 79 -8.220 12.207 -0.619 666 HD2 LYS 79 HD2 LYS 79 -9.589 13.867 -1.568 667 HD3 LYS 79 HD3 LYS 79 -8.391 13.495 -2.810 668 HE2 LYS 79 HE2 LYS 79 -9.963 12.131 -4.001 669 HE3 LYS 79 HE3 LYS 79 -11.143 12.272 -2.699 670 HZ1 LYS 79 HZ1 LYS 79 -11.317 14.634 -3.151 671 HZ2 LYS 79 HZ2 LYS 79 -11.664 13.743 -4.547 672 HZ3 LYS 79 HZ3 LYS 79 -10.166 14.513 -4.387 673 H LYS 80 H LYS 80 -5.936 8.233 -2.242 674 HA LYS 80 HA LYS 80 -6.392 7.518 -4.998 675 HB2 LYS 80 HB2 LYS 80 -4.034 7.532 -3.190 676 HB3 LYS 80 HB3 LYS 80 -4.011 6.453 -4.577 677 HG2 LYS 80 HG2 LYS 80 -3.410 8.128 -5.888 678 HG3 LYS 80 HG3 LYS 80 -4.880 9.006 -5.464 679 HD2 LYS 80 HD2 LYS 80 -3.468 9.526 -3.271 680 HD3 LYS 80 HD3 LYS 80 -2.126 9.269 -4.388 681 HE2 LYS 80 HE2 LYS 80 -4.421 11.138 -4.943 682 HE3 LYS 80 HE3 LYS 80 -2.916 11.647 -4.179 683 HZ1 LYS 80 HZ1 LYS 80 -1.715 10.911 -6.146 684 HZ2 LYS 80 HZ2 LYS 80 -2.880 12.069 -6.552 685 HZ3 LYS 80 HZ3 LYS 80 -3.164 10.434 -6.879 686 H LEU 81 H LEU 81 -5.475 5.836 -2.049 687 HA LEU 81 HA LEU 81 -6.083 3.271 -3.192 688 HB2 LEU 81 HB2 LEU 81 -4.833 2.424 -1.540 689 HB3 LEU 81 HB3 LEU 81 -4.264 4.065 -1.408 690 HG LEU 81 HG LEU 81 -6.264 2.672 0.367 691 HD11 LEU 81 HD11 LEU 81 -4.555 3.355 2.094 692 HD12 LEU 81 HD12 LEU 81 -3.490 3.768 0.754 693 HD13 LEU 81 HD13 LEU 81 -4.044 2.107 0.960 694 HD21 LEU 81 HD21 LEU 81 -5.540 5.261 1.321 695 HD22 LEU 81 HD22 LEU 81 -7.141 4.628 0.940 696 HD23 LEU 81 HD23 LEU 81 -6.187 5.412 -0.311 697 H GLY 82 H GLY 82 -7.803 5.616 -1.351 698 HA2 GLY 82 HA2 GLY 82 -10.181 5.451 -1.153 699 HA3 GLY 82 HA3 GLY 82 -10.022 3.703 -1.110 700 H ALA 83 H ALA 83 -10.671 2.958 0.792 701 HA ALA 83 HA ALA 83 -10.475 4.587 3.172 702 HB1 ALA 83 HB1 ALA 83 -11.773 2.840 4.250 703 HB2 ALA 83 HB2 ALA 83 -11.582 1.806 2.835 704 HB3 ALA 83 HB3 ALA 83 -12.509 3.302 2.716 705 H TYR 84 H TYR 84 -8.692 2.054 1.711 706 HA TYR 84 HA TYR 84 -7.546 0.762 3.873 707 HB2 TYR 84 HB2 TYR 84 -7.128 0.855 1.079 708 HB3 TYR 84 HB3 TYR 84 -5.563 1.153 1.827 709 HD1 TYR 84 HD1 TYR 84 -8.468 -1.180 2.061 710 HD2 TYR 84 HD2 TYR 84 -4.266 -0.656 2.463 711 HE1 TYR 84 HE1 TYR 84 -8.213 -3.591 2.473 712 HE2 TYR 84 HE2 TYR 84 -3.998 -3.065 2.876 713 HH TYR 84 HH TYR 84 -6.661 -5.132 3.489 714 H GLY 85 H GLY 85 -7.043 3.973 2.693 715 HA2 GLY 85 HA2 GLY 85 -4.482 4.465 3.770 716 HA3 GLY 85 HA3 GLY 85 -5.700 5.686 3.429 717 H SER 86 H SER 86 -7.629 4.252 5.203 718 HA SER 86 HA SER 86 -6.901 5.592 7.639 719 HB2 SER 86 HB2 SER 86 -9.323 4.378 6.499 720 HB3 SER 86 HB3 SER 86 -9.164 4.164 8.242 721 HG SER 86 HG SER 86 -8.993 6.400 8.459 722 H ARG 87 H ARG 87 -6.648 2.414 6.353 723 HA ARG 87 HA ARG 87 -6.752 0.754 8.538 724 HB2 ARG 87 HB2 ARG 87 -6.369 -0.293 6.485 725 HB3 ARG 87 HB3 ARG 87 -5.027 0.760 6.087 726 HG2 ARG 87 HG2 ARG 87 -4.225 -0.638 8.381 727 HG3 ARG 87 HG3 ARG 87 -5.017 -1.819 7.343 728 HD2 ARG 87 HD2 ARG 87 -2.474 -1.363 7.070 729 HD3 ARG 87 HD3 ARG 87 -3.488 -1.553 5.642 730 HE ARG 87 HE ARG 87 -3.114 1.172 6.553 731 HH11 ARG 87 HH11 ARG 87 -1.999 -1.373 4.435 732 HH12 ARG 87 HH12 ARG 87 -1.225 -0.286 3.334 733 HH21 ARG 87 HH21 ARG 87 -2.095 2.600 5.094 734 HH22 ARG 87 HH22 ARG 87 -1.277 1.964 3.707 735 H ILE 88 H ILE 88 -4.284 3.092 7.720 736 HA ILE 88 HA ILE 88 -2.247 2.236 9.455 737 HB ILE 88 HB ILE 88 -2.880 5.092 8.697 738 HG12 ILE 88 HG12 ILE 88 -0.785 3.688 7.201 739 HG13 ILE 88 HG13 ILE 88 -2.394 3.018 6.953 740 HG21 ILE 88 HG21 ILE 88 -1.263 4.980 10.469 741 HG22 ILE 88 HG22 ILE 88 -0.431 5.402 8.971 742 HG23 ILE 88 HG23 ILE 88 -0.334 3.757 9.603 743 HD11 ILE 88 HD11 ILE 88 -2.712 4.599 5.441 744 HD12 ILE 88 HD12 ILE 88 -1.225 5.425 5.906 745 HD13 ILE 88 HD13 ILE 88 -2.729 5.770 6.759 746 H VAL 89 H VAL 89 -3.238 1.581 11.405 747 HA VAL 89 HA VAL 89 -4.826 3.369 12.969 748 HB VAL 89 HB VAL 89 -3.396 0.895 13.938 749 HG11 VAL 89 HG11 VAL 89 -4.794 2.765 15.358 750 HG12 VAL 89 HG12 VAL 89 -4.562 1.085 15.840 751 HG13 VAL 89 HG13 VAL 89 -6.036 1.566 15.000 752 HG21 VAL 89 HG21 VAL 89 -4.605 0.065 12.139 753 HG22 VAL 89 HG22 VAL 89 -5.926 1.211 12.368 754 HG23 VAL 89 HG23 VAL 89 -5.724 -0.137 13.487 755 H THR 90 H THR 90 -4.281 4.596 14.724 756 HA THR 90 HA THR 90 -1.399 4.875 15.281 757 HB THR 90 HB THR 90 -3.197 7.142 15.913 758 HG1 THR 90 HG1 THR 90 -4.015 6.664 13.910 759 HG21 THR 90 HG21 THR 90 -1.290 8.345 14.684 760 HG22 THR 90 HG22 THR 90 -0.436 6.808 14.823 761 HG23 THR 90 HG23 THR 90 -0.972 7.654 16.275 762 H LEU 91 H LEU 91 -1.074 3.778 17.125 763 HA LEU 91 HA LEU 91 -3.045 3.927 19.271 764 HB2 LEU 91 HB2 LEU 91 -1.369 1.914 18.347 765 HB3 LEU 91 HB3 LEU 91 -0.624 2.421 19.851 766 HG LEU 91 HG LEU 91 -3.193 2.193 20.659 767 HD11 LEU 91 HD11 LEU 91 -3.740 1.372 18.311 768 HD12 LEU 91 HD12 LEU 91 -4.301 0.385 19.660 769 HD13 LEU 91 HD13 LEU 91 -2.871 -0.099 18.748 770 HD21 LEU 91 HD21 LEU 91 -2.546 0.112 21.673 771 HD22 LEU 91 HD22 LEU 91 -1.155 1.195 21.664 772 HD23 LEU 91 HD23 LEU 91 -1.260 -0.114 20.487 773 H ARG 92 H ARG 92 -2.688 4.841 21.249 774 HA ARG 92 HA ARG 92 -0.490 6.741 21.396 775 HB2 ARG 92 HB2 ARG 92 -1.673 7.592 23.397 776 HB3 ARG 92 HB3 ARG 92 -2.698 7.560 21.969 777 HG2 ARG 92 HG2 ARG 92 -3.096 5.090 23.196 778 HG3 ARG 92 HG3 ARG 92 -3.050 6.261 24.515 779 HD2 ARG 92 HD2 ARG 92 -4.592 7.481 22.548 780 HD3 ARG 92 HD3 ARG 92 -5.098 5.792 22.522 781 HE ARG 92 HE ARG 92 -6.095 6.101 24.555 782 HH11 ARG 92 HH11 ARG 92 -3.859 8.722 23.999 783 HH12 ARG 92 HH12 ARG 92 -4.365 9.616 25.393 784 HH21 ARG 92 HH21 ARG 92 -6.763 7.276 26.389 785 HH22 ARG 92 HH22 ARG 92 -6.012 8.795 26.751 786 H GLY 93 H GLY 93 1.004 4.824 21.543 787 HA2 GLY 93 HA2 GLY 93 2.173 4.636 24.033 788 HA3 GLY 93 HA3 GLY 93 1.071 3.272 23.935 789 H VAL 94 H VAL 94 1.385 2.858 21.108 790 HA VAL 94 HA VAL 94 4.139 1.812 21.083 791 HB VAL 94 HB VAL 94 2.531 0.001 21.172 792 HG11 VAL 94 HG11 VAL 94 0.983 -0.316 19.187 793 HG12 VAL 94 HG12 VAL 94 1.288 1.379 18.810 794 HG13 VAL 94 HG13 VAL 94 0.541 0.938 20.345 795 HG21 VAL 94 HG21 VAL 94 3.814 -1.197 19.811 796 HG22 VAL 94 HG22 VAL 94 4.509 0.314 19.226 797 HG23 VAL 94 HG23 VAL 94 3.137 -0.409 18.387 798 H GLY 95 H GLY 95 1.592 3.362 19.202 799 HA2 GLY 95 HA2 GLY 95 2.391 5.152 17.698 800 HA3 GLY 95 HA3 GLY 95 3.633 4.029 17.170 801 H TYR 96 H TYR 96 3.081 4.047 15.027 802 HA TYR 96 HA TYR 96 0.429 3.711 14.075 803 HB2 TYR 96 HB2 TYR 96 3.151 3.788 12.896 804 HB3 TYR 96 HB3 TYR 96 1.902 2.998 11.942 805 HD1 TYR 96 HD1 TYR 96 -0.425 4.775 12.756 806 HD2 TYR 96 HD2 TYR 96 3.560 5.690 11.580 807 HE1 TYR 96 HE1 TYR 96 -1.173 6.973 11.953 808 HE2 TYR 96 HE2 TYR 96 2.822 7.892 10.774 809 HH TYR 96 HH TYR 96 0.731 8.961 9.993 810 H LEU 97 H LEU 97 -0.725 1.905 13.713 811 HA LEU 97 HA LEU 97 0.697 -0.669 13.742 812 HB2 LEU 97 HB2 LEU 97 -0.380 -0.249 15.927 813 HB3 LEU 97 HB3 LEU 97 -1.926 -0.100 15.120 814 HG LEU 97 HG LEU 97 -1.420 -2.316 16.271 815 HD11 LEU 97 HD11 LEU 97 -3.094 -3.052 15.023 816 HD12 LEU 97 HD12 LEU 97 -2.029 -3.237 13.631 817 HD13 LEU 97 HD13 LEU 97 -2.835 -1.697 13.926 818 HD21 LEU 97 HD21 LEU 97 0.925 -2.224 14.933 819 HD22 LEU 97 HD22 LEU 97 -0.026 -3.241 13.850 820 HD23 LEU 97 HD23 LEU 97 0.189 -3.708 15.537 821 H PHE 98 H PHE 98 0.108 -2.101 12.255 822 HA PHE 98 HA PHE 98 -1.904 -1.307 10.297 823 HB2 PHE 98 HB2 PHE 98 0.460 -2.083 9.709 824 HB3 PHE 98 HB3 PHE 98 -0.062 -3.691 10.181 825 HD1 PHE 98 HD1 PHE 98 -2.708 -3.959 9.036 826 HD2 PHE 98 HD2 PHE 98 0.745 -2.043 7.446 827 HE1 PHE 98 HE1 PHE 98 -3.539 -4.355 6.760 828 HE2 PHE 98 HE2 PHE 98 -0.085 -2.442 5.165 829 HZ PHE 98 HZ PHE 98 -2.229 -3.599 4.821 830 H SER 99 H SER 99 -3.851 -1.792 11.248 831 HA SER 99 HA SER 99 -4.276 -4.576 12.097 832 HB2 SER 99 HB2 SER 99 -4.799 -3.100 13.893 833 HB3 SER 99 HB3 SER 99 -5.710 -2.024 12.835 834 HG SER 99 HG SER 99 -7.377 -3.364 12.873 835 H ASP 100 H ASP 100 -4.746 -5.543 10.151 836 HA ASP 100 HA ASP 100 -7.341 -4.842 9.015 837 HB2 ASP 100 HB2 ASP 100 -5.242 -3.945 7.690 838 HB3 ASP 100 HB3 ASP 100 -5.178 -5.606 7.111 839 H ASP 101 H ASP 101 -4.669 -7.122 8.782 840 HA ASP 101 HA ASP 101 -6.369 -9.337 9.393 841 HB2 ASP 101 HB2 ASP 101 -6.357 -8.678 6.752 842 HB3 ASP 101 HB3 ASP 101 -5.019 -9.822 6.818 843 H GLY 102 H GLY 102 -3.349 -8.993 7.522 844 HA2 GLY 102 HA2 GLY 102 -1.271 -9.209 8.970 845 HA3 GLY 102 HA3 GLY 102 -2.040 -10.668 9.569 846 H ASP 103 H ASP 103 -3.072 -11.624 7.113 847 HA ASP 103 HA ASP 103 -0.881 -13.080 6.157 848 HB2 ASP 103 HB2 ASP 103 -3.718 -12.908 5.609 849 HB3 ASP 103 HB3 ASP 103 -2.806 -13.129 4.118 850 H LYS 104 H LYS 104 0.478 -12.858 4.449 851 HA LYS 104 HA LYS 104 0.877 -10.257 3.379 852 HB2 LYS 104 HB2 LYS 104 2.306 -12.754 3.467 853 HB3 LYS 104 HB3 LYS 104 2.338 -12.108 1.832 854 HG2 LYS 104 HG2 LYS 104 4.132 -10.993 2.579 855 HG3 LYS 104 HG3 LYS 104 2.929 -9.886 3.244 856 HD2 LYS 104 HD2 LYS 104 3.396 -10.467 5.362 857 HD3 LYS 104 HD3 LYS 104 3.518 -12.182 4.963 858 HE2 LYS 104 HE2 LYS 104 5.703 -11.868 5.410 859 HE3 LYS 104 HE3 LYS 104 5.744 -11.245 3.761 860 HZ1 LYS 104 HZ1 LYS 104 5.673 -9.043 4.529 861 HZ2 LYS 104 HZ2 LYS 104 6.795 -9.815 5.532 862 HZ3 LYS 104 HZ3 LYS 104 5.233 -9.500 6.098 863 H LYS 105 H LYS 105 1.534 -10.534 0.760 864 HA LYS 105 HA LYS 105 -1.053 -10.671 -0.470 865 HB2 LYS 105 HB2 LYS 105 1.684 -9.944 -1.487 866 HB3 LYS 105 HB3 LYS 105 0.275 -10.013 -2.536 867 HG2 LYS 105 HG2 LYS 105 0.229 -7.807 -2.020 868 HG3 LYS 105 HG3 LYS 105 -0.729 -8.422 -0.672 869 HD2 LYS 105 HD2 LYS 105 0.804 -6.995 0.352 870 HD3 LYS 105 HD3 LYS 105 1.519 -8.593 0.571 871 HE2 LYS 105 HE2 LYS 105 2.307 -7.277 -1.917 872 HE3 LYS 105 HE3 LYS 105 2.794 -6.402 -0.466 873 HZ1 LYS 105 HZ1 LYS 105 3.712 -8.597 0.330 874 HZ2 LYS 105 HZ2 LYS 105 4.541 -7.868 -0.952 875 HZ3 LYS 105 HZ3 LYS 105 3.500 -9.168 -1.249 876 H PHE 106 H PHE 106 -1.324 -13.000 -0.061 877 HA PHE 106 HA PHE 106 0.313 -14.923 -1.337 878 HB2 PHE 106 HB2 PHE 106 -1.868 -14.944 0.441 879 HB3 PHE 106 HB3 PHE 106 -2.388 -15.865 -0.966 880 HD1 PHE 106 HD1 PHE 106 -1.011 -17.817 -1.718 881 HD2 PHE 106 HD2 PHE 106 -0.342 -15.834 1.988 882 HE1 PHE 106 HE1 PHE 106 0.246 -19.769 -0.904 883 HE2 PHE 106 HE2 PHE 106 0.916 -17.782 2.808 884 HZ PHE 106 HZ PHE 106 1.211 -19.754 1.362 885 H SER 107 H SER 107 0.277 -15.736 -3.350 886 HA SER 107 HA SER 107 -1.252 -14.428 -5.363 887 HB2 SER 107 HB2 SER 107 1.077 -15.319 -5.683 888 HB3 SER 107 HB3 SER 107 0.396 -16.946 -5.657 889 HG SER 107 HG SER 107 -0.803 -16.428 -7.493 890 H GLN 108 H GLN 108 -3.314 -14.845 -5.785 891 HA GLN 108 HA GLN 108 -4.583 -17.252 -4.917 892 HB2 GLN 108 HB2 GLN 108 -5.703 -15.030 -4.916 893 HB3 GLN 108 HB3 GLN 108 -5.692 -15.061 -6.674 894 HG2 GLN 108 HG2 GLN 108 -6.851 -17.478 -5.904 895 HG3 GLN 108 HG3 GLN 108 -7.539 -16.262 -4.829 896 HE21 GLN 108 HE21 GLN 108 -7.598 -17.632 -7.917 897 HE22 GLN 108 HE22 GLN 108 -8.706 -16.531 -8.655 898 H GLN 109 H GLN 109 -4.549 -15.757 -8.154 899 HA GLN 109 HA GLN 109 -5.330 -18.027 -9.554 900 HB2 GLN 109 HB2 GLN 109 -4.587 -15.391 -10.182 901 HB3 GLN 109 HB3 GLN 109 -3.532 -16.419 -11.141 902 HG2 GLN 109 HG2 GLN 109 -5.967 -17.603 -11.497 903 HG3 GLN 109 HG3 GLN 109 -6.388 -15.894 -11.400 904 HE21 GLN 109 HE21 GLN 109 -6.354 -17.865 -13.644 905 HE22 GLN 109 HE22 GLN 109 -5.424 -17.104 -14.885 906 H ASP 110 H ASP 110 -4.174 -19.502 -10.871 907 HA ASP 110 HA ASP 110 -1.307 -19.717 -10.523 908 HB2 ASP 110 HB2 ASP 110 -2.781 -21.018 -8.684 909 HB3 ASP 110 HB3 ASP 110 -2.739 -22.243 -9.949 910 H THR 111 H THR 111 -4.235 -21.136 -11.827 911 HA THR 111 HA THR 111 -3.128 -22.814 -13.747 912 HB THR 111 HB THR 111 -5.676 -21.252 -14.149 913 HG1 THR 111 HG1 THR 111 -6.670 -22.556 -12.753 914 HG21 THR 111 HG21 THR 111 -5.240 -22.602 -16.033 915 HG22 THR 111 HG22 THR 111 -6.448 -23.454 -15.070 916 HG23 THR 111 HG23 THR 111 -4.762 -23.971 -15.030 917 H LYS 112 H LYS 112 -3.242 -22.494 -16.146 918 HA LYS 112 HA LYS 112 -2.998 -19.835 -17.166 919 HB2 LYS 112 HB2 LYS 112 -0.629 -21.259 -16.321 920 HB3 LYS 112 HB3 LYS 112 -0.575 -20.936 -18.048 921 HG2 LYS 112 HG2 LYS 112 0.216 -18.933 -17.509 922 HG3 LYS 112 HG3 LYS 112 -1.423 -18.540 -16.986 923 HD2 LYS 112 HD2 LYS 112 -0.543 -19.788 -14.782 924 HD3 LYS 112 HD3 LYS 112 0.990 -19.158 -15.388 925 HE2 LYS 112 HE2 LYS 112 -1.486 -17.629 -14.633 926 HE3 LYS 112 HE3 LYS 112 0.127 -17.507 -13.933 927 HZ1 LYS 112 HZ1 LYS 112 -0.824 -16.513 -16.546 928 HZ2 LYS 112 HZ2 LYS 112 0.824 -16.761 -16.256 929 HZ3 LYS 112 HZ3 LYS 112 -0.045 -15.661 -15.309 930 H LEU 113 H LEU 113 -3.745 -19.824 -19.185 931 HA LEU 113 HA LEU 113 -4.591 -22.171 -20.478 932 HB2 LEU 113 HB2 LEU 113 -5.160 -19.542 -20.747 933 HB3 LEU 113 HB3 LEU 113 -4.132 -19.778 -22.148 934 HG LEU 113 HG LEU 113 -6.119 -21.878 -21.955 935 HD11 LEU 113 HD11 LEU 113 -8.089 -20.539 -22.406 936 HD12 LEU 113 HD12 LEU 113 -7.157 -19.058 -22.188 937 HD13 LEU 113 HD13 LEU 113 -7.426 -20.139 -20.821 938 HD21 LEU 113 HD21 LEU 113 -6.112 -19.867 -24.130 939 HD22 LEU 113 HD22 LEU 113 -6.187 -21.627 -24.210 940 HD23 LEU 113 HD23 LEU 113 -4.648 -20.823 -23.905 941 H SER 114 H SER 114 -3.793 -23.302 -22.227 942 HA SER 114 HA SER 114 -0.999 -23.532 -22.445 943 HB2 SER 114 HB2 SER 114 -3.102 -25.111 -23.145 944 HB3 SER 114 HB3 SER 114 -2.586 -24.528 -24.727 945 HG SER 114 HG SER 114 -0.470 -25.267 -24.197 946 H LEU 115 H LEU 115 0.462 -22.733 -23.875 947 HA LEU 115 HA LEU 115 -0.270 -20.402 -25.350 948 HB2 LEU 115 HB2 LEU 115 2.273 -20.830 -26.111 949 HB3 LEU 115 HB3 LEU 115 1.826 -20.010 -24.632 950 HG LEU 115 HG LEU 115 2.061 -22.197 -23.432 951 HD11 LEU 115 HD11 LEU 115 2.678 -24.114 -24.445 952 HD12 LEU 115 HD12 LEU 115 3.687 -23.289 -25.633 953 HD13 LEU 115 HD13 LEU 115 1.939 -23.354 -25.854 954 HD21 LEU 115 HD21 LEU 115 4.613 -22.233 -23.727 955 HD22 LEU 115 HD22 LEU 115 3.848 -20.759 -23.137 956 HD23 LEU 115 HD23 LEU 115 4.353 -20.877 -24.823 957 H GLU 116 H GLU 116 0.990 -20.273 -27.628 958 HA GLU 116 HA GLU 116 0.881 -20.814 -29.834 959 HB2 GLU 116 HB2 GLU 116 1.112 -23.572 -28.635 960 HB3 GLU 116 HB3 GLU 116 1.111 -23.287 -30.370 961 HG2 GLU 116 HG2 GLU 116 3.067 -21.739 -29.989 962 HG3 GLU 116 HG3 GLU 116 3.133 -22.377 -28.346 Start of MODEL 20 1 H1 HIS 1 H1 HIS 1 3.655 -20.993 -0.052 2 H2 HIS 1 H2 HIS 1 4.978 -20.693 1.000 3 H3 HIS 1 H3 HIS 1 5.071 -20.236 -0.652 4 HA HIS 1 HA HIS 1 3.032 -19.169 1.163 5 HB2 HIS 1 HB2 HIS 1 5.908 -18.406 0.783 6 HB3 HIS 1 HB3 HIS 1 4.717 -17.157 1.131 7 HD1 HIS 1 HD1 HIS 1 5.640 -16.647 3.460 8 HD2 HIS 1 HD2 HIS 1 4.525 -20.617 2.947 9 HE1 HIS 1 HE1 HIS 1 5.665 -17.655 5.764 10 HE2 HIS 1 HE2 HIS 1 4.900 -20.033 5.439 11 H SER 2 H SER 2 2.593 -16.846 0.364 12 HA SER 2 HA SER 2 2.657 -16.775 -2.578 13 HB2 SER 2 HB2 SER 2 0.376 -15.874 -2.586 14 HB3 SER 2 HB3 SER 2 0.415 -17.456 -1.807 15 HG SER 2 HG SER 2 0.123 -16.525 0.136 16 H VAL 3 H VAL 3 2.350 -14.604 -3.490 17 HA VAL 3 HA VAL 3 3.545 -12.562 -1.740 18 HB VAL 3 HB VAL 3 3.572 -12.628 -4.759 19 HG11 VAL 3 HG11 VAL 3 3.774 -10.400 -3.643 20 HG12 VAL 3 HG12 VAL 3 5.168 -10.856 -4.622 21 HG13 VAL 3 HG13 VAL 3 5.245 -10.987 -2.865 22 HG21 VAL 3 HG21 VAL 3 5.474 -13.828 -4.761 23 HG22 VAL 3 HG22 VAL 3 4.928 -14.369 -3.174 24 HG23 VAL 3 HG23 VAL 3 6.087 -13.047 -3.304 25 HA PRO 4 HA PRO 4 -0.503 -10.605 -1.967 26 HB2 PRO 4 HB2 PRO 4 1.011 -8.326 -0.820 27 HB3 PRO 4 HB3 PRO 4 -0.452 -9.119 -0.226 28 HG2 PRO 4 HG2 PRO 4 1.893 -9.507 0.980 29 HG3 PRO 4 HG3 PRO 4 0.732 -10.834 0.791 30 HD2 PRO 4 HD2 PRO 4 3.220 -10.254 -0.771 31 HD3 PRO 4 HD3 PRO 4 2.584 -11.812 -0.202 32 H GLU 5 H GLU 5 -0.269 -10.533 -4.332 33 HA GLU 5 HA GLU 5 0.860 -8.075 -5.412 34 HB2 GLU 5 HB2 GLU 5 -0.057 -10.681 -6.573 35 HB3 GLU 5 HB3 GLU 5 0.176 -9.275 -7.594 36 HG2 GLU 5 HG2 GLU 5 2.495 -9.129 -6.536 37 HG3 GLU 5 HG3 GLU 5 2.191 -10.775 -5.987 38 H SER 6 H SER 6 -1.716 -8.380 -3.855 39 HA SER 6 HA SER 6 -3.236 -6.473 -5.295 40 HB2 SER 6 HB2 SER 6 -3.981 -9.335 -5.559 41 HB3 SER 6 HB3 SER 6 -5.300 -8.209 -5.237 42 HG SER 6 HG SER 6 -5.123 -8.184 -7.398 43 H ILE 7 H ILE 7 -5.287 -5.923 -4.124 44 HA ILE 7 HA ILE 7 -5.550 -6.984 -1.446 45 HB ILE 7 HB ILE 7 -3.780 -5.331 -1.123 46 HG12 ILE 7 HG12 ILE 7 -4.861 -4.003 0.646 47 HG13 ILE 7 HG13 ILE 7 -6.442 -4.417 -0.010 48 HG21 ILE 7 HG21 ILE 7 -3.841 -3.160 -1.823 49 HG22 ILE 7 HG22 ILE 7 -5.602 -3.081 -1.787 50 HG23 ILE 7 HG23 ILE 7 -4.784 -3.917 -3.106 51 HD11 ILE 7 HD11 ILE 7 -4.913 -5.815 1.899 52 HD12 ILE 7 HD12 ILE 7 -5.002 -6.821 0.454 53 HD13 ILE 7 HD13 ILE 7 -6.483 -6.247 1.221 54 H ARG 8 H ARG 8 -7.564 -7.518 -2.620 55 HA ARG 8 HA ARG 8 -9.385 -5.397 -3.263 56 HB2 ARG 8 HB2 ARG 8 -10.069 -8.307 -2.863 57 HB3 ARG 8 HB3 ARG 8 -10.947 -7.118 -3.816 58 HG2 ARG 8 HG2 ARG 8 -9.406 -7.167 -5.540 59 HG3 ARG 8 HG3 ARG 8 -8.127 -7.818 -4.513 60 HD2 ARG 8 HD2 ARG 8 -8.639 -9.851 -5.244 61 HD3 ARG 8 HD3 ARG 8 -10.209 -9.702 -4.457 62 HE ARG 8 HE ARG 8 -10.562 -8.424 -6.821 63 HH11 ARG 8 HH11 ARG 8 -9.380 -11.591 -5.955 64 HH12 ARG 8 HH12 ARG 8 -9.939 -12.336 -7.415 65 HH21 ARG 8 HH21 ARG 8 -11.298 -9.402 -8.742 66 HH22 ARG 8 HH22 ARG 8 -11.027 -11.093 -8.998 67 H PHE 9 H PHE 9 -10.079 -4.161 -1.620 68 HA PHE 9 HA PHE 9 -10.934 -5.488 0.861 69 HB2 PHE 9 HB2 PHE 9 -10.917 -3.056 1.731 70 HB3 PHE 9 HB3 PHE 9 -9.368 -3.843 1.442 71 HD1 PHE 9 HD1 PHE 9 -11.694 -1.262 0.295 72 HD2 PHE 9 HD2 PHE 9 -7.932 -3.141 -0.359 73 HE1 PHE 9 HE1 PHE 9 -11.032 0.586 -1.188 74 HE2 PHE 9 HE2 PHE 9 -7.262 -1.296 -1.841 75 HZ PHE 9 HZ PHE 9 -8.813 0.572 -2.257 76 H GLY 10 H GLY 10 -13.008 -6.104 0.469 77 HA2 GLY 10 HA2 GLY 10 -15.293 -5.822 0.395 78 HA3 GLY 10 HA3 GLY 10 -15.027 -4.090 0.528 79 HA PRO 11 HA PRO 11 -16.788 -4.716 -3.673 80 HB2 PRO 11 HB2 PRO 11 -17.865 -2.211 -3.815 81 HB3 PRO 11 HB3 PRO 11 -18.693 -3.588 -3.080 82 HG2 PRO 11 HG2 PRO 11 -17.153 -1.383 -1.769 83 HG3 PRO 11 HG3 PRO 11 -18.693 -2.117 -1.282 84 HD2 PRO 11 HD2 PRO 11 -16.358 -2.765 -0.098 85 HD3 PRO 11 HD3 PRO 11 -17.661 -3.950 -0.325 86 H ASN 12 H ASN 12 -14.546 -2.506 -2.298 87 HA ASN 12 HA ASN 12 -13.772 -1.496 -4.946 88 HB2 ASN 12 HB2 ASN 12 -13.431 -0.476 -2.155 89 HB3 ASN 12 HB3 ASN 12 -12.256 -0.007 -3.379 90 HD21 ASN 12 HD21 ASN 12 -13.267 2.105 -2.634 91 HD22 ASN 12 HD22 ASN 12 -14.609 2.675 -3.562 92 H VAL 13 H VAL 13 -12.245 -2.683 -5.908 93 HA VAL 13 HA VAL 13 -10.263 -4.064 -4.253 94 HB VAL 13 HB VAL 13 -9.665 -5.313 -6.277 95 HG11 VAL 13 HG11 VAL 13 -12.576 -5.626 -6.377 96 HG12 VAL 13 HG12 VAL 13 -11.898 -5.632 -4.749 97 HG13 VAL 13 HG13 VAL 13 -11.321 -6.789 -5.949 98 HG21 VAL 13 HG21 VAL 13 -11.962 -4.399 -7.849 99 HG22 VAL 13 HG22 VAL 13 -10.317 -4.781 -8.356 100 HG23 VAL 13 HG23 VAL 13 -10.682 -3.200 -7.666 101 H PHE 14 H PHE 14 -8.003 -3.944 -4.772 102 HA PHE 14 HA PHE 14 -7.244 -1.569 -6.331 103 HB2 PHE 14 HB2 PHE 14 -7.253 -1.170 -3.821 104 HB3 PHE 14 HB3 PHE 14 -5.924 -2.319 -3.724 105 HD1 PHE 14 HD1 PHE 14 -3.933 -1.806 -5.399 106 HD2 PHE 14 HD2 PHE 14 -6.745 1.056 -3.982 107 HE1 PHE 14 HE1 PHE 14 -2.336 -0.001 -5.890 108 HE2 PHE 14 HE2 PHE 14 -5.154 2.867 -4.471 109 HZ PHE 14 HZ PHE 14 -2.946 2.340 -5.427 110 H TYR 15 H TYR 15 -5.876 -2.079 -7.885 111 HA TYR 15 HA TYR 15 -4.343 -4.564 -7.689 112 HB2 TYR 15 HB2 TYR 15 -4.929 -2.740 -10.029 113 HB3 TYR 15 HB3 TYR 15 -3.910 -4.172 -10.128 114 HD1 TYR 15 HD1 TYR 15 -4.898 -6.416 -9.894 115 HD2 TYR 15 HD2 TYR 15 -7.319 -2.918 -9.926 116 HE1 TYR 15 HE1 TYR 15 -6.883 -7.801 -10.324 117 HE2 TYR 15 HE2 TYR 15 -9.311 -4.293 -10.355 118 HH TYR 15 HH TYR 15 -9.535 -7.423 -9.826 119 H VAL 16 H VAL 16 -2.473 -4.271 -6.661 120 HA VAL 16 HA VAL 16 -1.028 -1.919 -6.404 121 HB VAL 16 HB VAL 16 0.944 -3.453 -5.916 122 HG11 VAL 16 HG11 VAL 16 -1.555 -4.122 -4.379 123 HG12 VAL 16 HG12 VAL 16 -0.745 -2.559 -4.259 124 HG13 VAL 16 HG13 VAL 16 0.102 -4.030 -3.781 125 HG21 VAL 16 HG21 VAL 16 -0.901 -5.742 -5.749 126 HG22 VAL 16 HG22 VAL 16 0.813 -5.692 -6.164 127 HG23 VAL 16 HG23 VAL 16 -0.401 -5.282 -7.376 128 H LEU 17 H LEU 17 -1.213 -4.058 -9.105 129 HA LEU 17 HA LEU 17 1.196 -2.887 -10.297 130 HB2 LEU 17 HB2 LEU 17 -0.328 -5.396 -10.711 131 HB3 LEU 17 HB3 LEU 17 0.446 -4.697 -12.120 132 HG LEU 17 HG LEU 17 1.911 -6.343 -11.156 133 HD11 LEU 17 HD11 LEU 17 3.827 -5.124 -11.267 134 HD12 LEU 17 HD12 LEU 17 3.214 -3.853 -10.210 135 HD13 LEU 17 HD13 LEU 17 2.700 -3.923 -11.895 136 HD21 LEU 17 HD21 LEU 17 2.154 -4.798 -8.615 137 HD22 LEU 17 HD22 LEU 17 2.500 -6.497 -8.937 138 HD23 LEU 17 HD23 LEU 17 0.829 -5.946 -8.811 139 H LYS 18 H LYS 18 -2.193 -2.585 -10.368 140 HA LYS 18 HA LYS 18 -2.155 -1.433 -13.064 141 HB2 LYS 18 HB2 LYS 18 -3.963 -3.114 -11.893 142 HB3 LYS 18 HB3 LYS 18 -4.725 -1.551 -11.640 143 HG2 LYS 18 HG2 LYS 18 -5.052 -1.191 -13.874 144 HG3 LYS 18 HG3 LYS 18 -3.690 -2.209 -14.349 145 HD2 LYS 18 HD2 LYS 18 -4.941 -4.202 -13.773 146 HD3 LYS 18 HD3 LYS 18 -6.283 -3.221 -13.183 147 HE2 LYS 18 HE2 LYS 18 -6.700 -2.373 -15.398 148 HE3 LYS 18 HE3 LYS 18 -5.266 -3.187 -16.022 149 HZ1 LYS 18 HZ1 LYS 18 -6.769 -4.742 -16.586 150 HZ2 LYS 18 HZ2 LYS 18 -7.892 -4.266 -15.415 151 HZ3 LYS 18 HZ3 LYS 18 -6.584 -5.246 -14.981 152 H LEU 19 H LEU 19 -2.787 -0.630 -9.698 153 HA LEU 19 HA LEU 19 -2.922 1.365 -8.613 154 HB2 LEU 19 HB2 LEU 19 -1.236 1.856 -10.847 155 HB3 LEU 19 HB3 LEU 19 -2.300 3.239 -10.680 156 HG LEU 19 HG LEU 19 -1.520 2.953 -8.112 157 HD11 LEU 19 HD11 LEU 19 0.878 2.140 -9.747 158 HD12 LEU 19 HD12 LEU 19 -0.042 1.061 -8.697 159 HD13 LEU 19 HD13 LEU 19 0.829 2.431 -8.008 160 HD21 LEU 19 HD21 LEU 19 -0.123 4.837 -8.464 161 HD22 LEU 19 HD22 LEU 19 -1.439 4.960 -9.631 162 HD23 LEU 19 HD23 LEU 19 0.152 4.404 -10.151 163 H THR 20 H THR 20 -5.161 0.265 -10.157 164 HA THR 20 HA THR 20 -6.747 2.728 -10.332 165 HB THR 20 HB THR 20 -6.896 0.448 -12.315 166 HG1 THR 20 HG1 THR 20 -5.705 1.628 -13.597 167 HG21 THR 20 HG21 THR 20 -8.819 2.407 -11.666 168 HG22 THR 20 HG22 THR 20 -8.844 1.235 -12.983 169 HG23 THR 20 HG23 THR 20 -8.134 2.829 -13.234 170 H VAL 21 H VAL 21 -7.991 2.484 -8.568 171 HA VAL 21 HA VAL 21 -8.952 -0.046 -7.659 172 HB VAL 21 HB VAL 21 -10.084 2.621 -6.837 173 HG11 VAL 21 HG11 VAL 21 -10.854 0.155 -6.120 174 HG12 VAL 21 HG12 VAL 21 -10.945 1.547 -5.042 175 HG13 VAL 21 HG13 VAL 21 -9.588 0.427 -4.923 176 HG21 VAL 21 HG21 VAL 21 -7.409 1.455 -6.273 177 HG22 VAL 21 HG22 VAL 21 -8.254 2.268 -4.955 178 HG23 VAL 21 HG23 VAL 21 -7.896 3.142 -6.445 179 H GLU 22 H GLU 22 -10.603 -1.152 -8.464 180 HA GLU 22 HA GLU 22 -12.393 0.005 -10.379 181 HB2 GLU 22 HB2 GLU 22 -11.808 -2.680 -9.328 182 HB3 GLU 22 HB3 GLU 22 -13.488 -2.428 -9.783 183 HG2 GLU 22 HG2 GLU 22 -12.881 -1.875 -12.016 184 HG3 GLU 22 HG3 GLU 22 -11.169 -1.830 -11.599 185 H THR 23 H THR 23 -13.508 1.625 -9.269 186 HA THR 23 HA THR 23 -15.044 0.979 -6.911 187 HB THR 23 HB THR 23 -15.956 3.425 -7.667 188 HG1 THR 23 HG1 THR 23 -14.734 3.709 -9.450 189 HG21 THR 23 HG21 THR 23 -14.683 2.670 -5.554 190 HG22 THR 23 HG22 THR 23 -14.606 4.360 -6.051 191 HG23 THR 23 HG23 THR 23 -13.259 3.276 -6.400 192 HA PRO 24 HA PRO 24 -18.875 0.076 -8.899 193 HB2 PRO 24 HB2 PRO 24 -20.711 1.116 -7.246 194 HB3 PRO 24 HB3 PRO 24 -19.669 -0.221 -6.752 195 HG2 PRO 24 HG2 PRO 24 -19.448 2.687 -6.115 196 HG3 PRO 24 HG3 PRO 24 -19.193 1.285 -5.060 197 HD2 PRO 24 HD2 PRO 24 -17.180 2.696 -6.278 198 HD3 PRO 24 HD3 PRO 24 -17.034 1.010 -5.759 199 H GLU 25 H GLU 25 -17.772 3.228 -8.860 200 HA GLU 25 HA GLU 25 -19.972 4.092 -10.614 201 HB2 GLU 25 HB2 GLU 25 -19.771 5.187 -8.248 202 HB3 GLU 25 HB3 GLU 25 -18.429 6.066 -8.969 203 HG2 GLU 25 HG2 GLU 25 -20.291 6.481 -10.849 204 HG3 GLU 25 HG3 GLU 25 -21.329 6.309 -9.435 205 H GLY 26 H GLY 26 -17.426 2.827 -11.270 206 HA2 GLY 26 HA2 GLY 26 -16.485 3.496 -13.491 207 HA3 GLY 26 HA3 GLY 26 -16.149 5.050 -12.742 208 H SER 27 H SER 27 -14.187 5.345 -11.916 209 HA SER 27 HA SER 27 -12.698 3.155 -10.760 210 HB2 SER 27 HB2 SER 27 -12.128 4.183 -13.465 211 HB3 SER 27 HB3 SER 27 -10.725 4.086 -12.400 212 HG SER 27 HG SER 27 -11.055 1.918 -12.164 213 H VAL 28 H VAL 28 -10.479 3.970 -10.012 214 HA VAL 28 HA VAL 28 -10.522 6.835 -9.394 215 HB VAL 28 HB VAL 28 -10.016 4.735 -7.285 216 HG11 VAL 28 HG11 VAL 28 -9.893 6.515 -5.739 217 HG12 VAL 28 HG12 VAL 28 -10.505 7.679 -6.914 218 HG13 VAL 28 HG13 VAL 28 -8.890 6.996 -7.108 219 HG21 VAL 28 HG21 VAL 28 -12.390 4.810 -8.071 220 HG22 VAL 28 HG22 VAL 28 -12.447 6.496 -7.555 221 HG23 VAL 28 HG23 VAL 28 -12.169 5.220 -6.370 222 H HIS 29 H HIS 29 -8.665 7.618 -10.126 223 HA HIS 29 HA HIS 29 -6.300 5.919 -10.250 224 HB2 HIS 29 HB2 HIS 29 -5.314 7.835 -11.515 225 HB3 HIS 29 HB3 HIS 29 -6.780 7.188 -12.244 226 HD1 HIS 29 HD1 HIS 29 -5.341 10.255 -10.768 227 HD2 HIS 29 HD2 HIS 29 -9.061 8.889 -12.016 228 HE1 HIS 29 HE1 HIS 29 -6.792 12.303 -10.922 229 HE2 HIS 29 HE2 HIS 29 -9.061 11.442 -11.600 230 H LEU 30 H LEU 30 -4.170 6.957 -9.634 231 HA LEU 30 HA LEU 30 -4.123 9.034 -7.696 232 HB2 LEU 30 HB2 LEU 30 -3.274 7.427 -5.848 233 HB3 LEU 30 HB3 LEU 30 -4.998 7.641 -6.081 234 HG LEU 30 HG LEU 30 -5.186 5.530 -7.210 235 HD11 LEU 30 HD11 LEU 30 -3.214 4.066 -7.515 236 HD12 LEU 30 HD12 LEU 30 -2.181 5.409 -7.026 237 HD13 LEU 30 HD13 LEU 30 -3.152 5.532 -8.493 238 HD21 LEU 30 HD21 LEU 30 -3.860 5.680 -4.580 239 HD22 LEU 30 HD22 LEU 30 -3.875 4.096 -5.356 240 HD23 LEU 30 HD23 LEU 30 -5.392 4.938 -5.042 241 H THR 31 H THR 31 -1.930 9.107 -6.561 242 HA THR 31 HA THR 31 0.099 8.731 -8.568 243 HB THR 31 HB THR 31 0.876 9.534 -5.822 244 HG1 THR 31 HG1 THR 31 -0.826 11.115 -7.446 245 HG21 THR 31 HG21 THR 31 1.432 10.557 -8.583 246 HG22 THR 31 HG22 THR 31 2.552 9.830 -7.431 247 HG23 THR 31 HG23 THR 31 1.899 11.440 -7.130 248 HA PRO 32 HA PRO 32 1.334 4.729 -7.096 249 HB2 PRO 32 HB2 PRO 32 3.714 4.537 -8.390 250 HB3 PRO 32 HB3 PRO 32 2.157 4.339 -9.203 251 HG2 PRO 32 HG2 PRO 32 3.943 6.739 -9.091 252 HG3 PRO 32 HG3 PRO 32 3.062 6.064 -10.474 253 HD2 PRO 32 HD2 PRO 32 2.168 8.209 -9.085 254 HD3 PRO 32 HD3 PRO 32 1.070 7.036 -9.841 255 H SER 33 H SER 33 2.946 7.645 -6.380 256 HA SER 33 HA SER 33 5.077 6.451 -4.865 257 HB2 SER 33 HB2 SER 33 5.430 8.833 -4.061 258 HB3 SER 33 HB3 SER 33 5.561 8.597 -5.803 259 HG SER 33 HG SER 33 4.118 10.119 -5.896 260 H GLU 34 H GLU 34 2.098 8.156 -4.128 261 HA GLU 34 HA GLU 34 2.340 7.581 -1.311 262 HB2 GLU 34 HB2 GLU 34 -0.142 8.607 -2.679 263 HB3 GLU 34 HB3 GLU 34 0.354 8.847 -1.010 264 HG2 GLU 34 HG2 GLU 34 1.368 10.737 -1.537 265 HG3 GLU 34 HG3 GLU 34 2.354 9.914 -2.745 266 H SER 35 H SER 35 0.726 6.311 -4.099 267 HA SER 35 HA SER 35 -0.812 4.431 -2.514 268 HB2 SER 35 HB2 SER 35 -1.973 3.931 -4.441 269 HB3 SER 35 HB3 SER 35 -1.401 5.540 -4.877 270 HG SER 35 HG SER 35 -0.342 3.033 -5.657 271 H GLY 36 H GLY 36 2.309 4.750 -3.733 272 HA2 GLY 36 HA2 GLY 36 2.853 1.988 -4.248 273 HA3 GLY 36 HA3 GLY 36 4.041 3.267 -4.081 274 H ILE 37 H ILE 37 2.967 4.117 -1.487 275 HA ILE 37 HA ILE 37 4.588 2.515 0.174 276 HB ILE 37 HB ILE 37 4.024 4.845 0.737 277 HG12 ILE 37 HG12 ILE 37 3.131 2.853 2.833 278 HG13 ILE 37 HG13 ILE 37 4.801 3.291 2.489 279 HG21 ILE 37 HG21 ILE 37 1.473 4.353 1.990 280 HG22 ILE 37 HG22 ILE 37 1.402 4.032 0.257 281 HG23 ILE 37 HG23 ILE 37 1.939 5.607 0.841 282 HD11 ILE 37 HD11 ILE 37 3.699 5.723 2.960 283 HD12 ILE 37 HD12 ILE 37 4.523 4.735 4.167 284 HD13 ILE 37 HD13 ILE 37 2.764 4.694 4.045 285 H LEU 38 H LEU 38 1.255 2.332 -0.740 286 HA LEU 38 HA LEU 38 0.478 0.487 1.305 287 HB2 LEU 38 HB2 LEU 38 -1.533 1.111 0.592 288 HB3 LEU 38 HB3 LEU 38 -0.798 2.000 -0.721 289 HG LEU 38 HG LEU 38 -0.968 -0.787 -1.438 290 HD11 LEU 38 HD11 LEU 38 -3.711 0.213 -1.219 291 HD12 LEU 38 HD12 LEU 38 -2.963 -0.235 0.314 292 HD13 LEU 38 HD13 LEU 38 -3.069 -1.414 -0.993 293 HD21 LEU 38 HD21 LEU 38 -2.677 0.500 -3.072 294 HD22 LEU 38 HD22 LEU 38 -0.925 0.512 -3.278 295 HD23 LEU 38 HD23 LEU 38 -1.728 1.861 -2.475 296 H LYS 39 H LYS 39 2.294 0.244 -1.534 297 HA LYS 39 HA LYS 39 1.619 -2.470 -2.171 298 HB2 LYS 39 HB2 LYS 39 3.010 -0.342 -3.424 299 HB3 LYS 39 HB3 LYS 39 4.136 -1.683 -3.288 300 HG2 LYS 39 HG2 LYS 39 3.204 -2.643 -5.045 301 HG3 LYS 39 HG3 LYS 39 1.663 -2.724 -4.191 302 HD2 LYS 39 HD2 LYS 39 1.064 -1.483 -6.029 303 HD3 LYS 39 HD3 LYS 39 1.500 -0.200 -4.899 304 HE2 LYS 39 HE2 LYS 39 3.895 -0.855 -6.124 305 HE3 LYS 39 HE3 LYS 39 2.715 -0.945 -7.430 306 HZ1 LYS 39 HZ1 LYS 39 3.071 1.251 -7.539 307 HZ2 LYS 39 HZ2 LYS 39 3.676 1.357 -5.963 308 HZ3 LYS 39 HZ3 LYS 39 2.006 1.337 -6.227 309 H ARG 40 H ARG 40 4.091 -0.827 -0.342 310 HA ARG 40 HA ARG 40 5.635 -3.239 0.036 311 HB2 ARG 40 HB2 ARG 40 5.899 -0.391 0.825 312 HB3 ARG 40 HB3 ARG 40 6.672 -1.572 1.873 313 HG2 ARG 40 HG2 ARG 40 8.362 -1.036 0.405 314 HG3 ARG 40 HG3 ARG 40 7.686 -2.494 -0.324 315 HD2 ARG 40 HD2 ARG 40 6.160 -0.676 -1.542 316 HD3 ARG 40 HD3 ARG 40 7.581 0.322 -1.242 317 HE ARG 40 HE ARG 40 8.738 -0.895 -2.807 318 HH11 ARG 40 HH11 ARG 40 5.767 -2.556 -2.035 319 HH12 ARG 40 HH12 ARG 40 5.922 -3.695 -3.330 320 HH21 ARG 40 HH21 ARG 40 8.942 -2.391 -4.511 321 HH22 ARG 40 HH22 ARG 40 7.724 -3.602 -4.735 322 H LEU 41 H LEU 41 3.087 -1.571 1.643 323 HA LEU 41 HA LEU 41 3.451 -2.985 4.134 324 HB2 LEU 41 HB2 LEU 41 1.891 -0.742 3.200 325 HB3 LEU 41 HB3 LEU 41 0.875 -1.871 4.076 326 HG LEU 41 HG LEU 41 2.845 -1.732 5.846 327 HD11 LEU 41 HD11 LEU 41 3.370 0.466 3.998 328 HD12 LEU 41 HD12 LEU 41 4.410 -0.267 5.218 329 HD13 LEU 41 HD13 LEU 41 3.241 0.968 5.684 330 HD21 LEU 41 HD21 LEU 41 1.588 0.095 6.954 331 HD22 LEU 41 HD22 LEU 41 0.557 -1.200 6.350 332 HD23 LEU 41 HD23 LEU 41 0.672 0.319 5.468 333 H LEU 42 H LEU 42 1.800 -3.438 1.149 334 HA LEU 42 HA LEU 42 -0.121 -5.318 2.167 335 HB2 LEU 42 HB2 LEU 42 0.457 -4.036 -0.357 336 HB3 LEU 42 HB3 LEU 42 0.213 -5.757 -0.589 337 HG LEU 42 HG LEU 42 -1.878 -4.604 -0.915 338 HD11 LEU 42 HD11 LEU 42 -2.589 -6.556 -0.069 339 HD12 LEU 42 HD12 LEU 42 -3.023 -5.585 1.338 340 HD13 LEU 42 HD13 LEU 42 -1.499 -6.472 1.316 341 HD21 LEU 42 HD21 LEU 42 -1.281 -3.404 1.772 342 HD22 LEU 42 HD22 LEU 42 -2.914 -3.451 1.108 343 HD23 LEU 42 HD23 LEU 42 -1.639 -2.584 0.253 344 H ILE 43 H ILE 43 3.155 -5.419 1.070 345 HA ILE 43 HA ILE 43 3.263 -8.186 0.427 346 HB ILE 43 HB ILE 43 5.641 -6.718 1.517 347 HG12 ILE 43 HG12 ILE 43 4.267 -6.265 -1.128 348 HG13 ILE 43 HG13 ILE 43 4.813 -5.069 0.043 349 HG21 ILE 43 HG21 ILE 43 6.871 -8.113 0.024 350 HG22 ILE 43 HG22 ILE 43 5.397 -8.646 -0.785 351 HG23 ILE 43 HG23 ILE 43 5.717 -9.137 0.879 352 HD11 ILE 43 HD11 ILE 43 7.121 -5.542 -0.517 353 HD12 ILE 43 HD12 ILE 43 6.206 -5.108 -1.961 354 HD13 ILE 43 HD13 ILE 43 6.607 -6.796 -1.645 355 H ASN 44 H ASN 44 3.596 -6.332 3.382 356 HA ASN 44 HA ASN 44 4.266 -8.721 4.911 357 HB2 ASN 44 HB2 ASN 44 4.056 -5.809 5.673 358 HB3 ASN 44 HB3 ASN 44 4.358 -7.091 6.842 359 HD21 ASN 44 HD21 ASN 44 6.339 -6.051 7.333 360 HD22 ASN 44 HD22 ASN 44 7.714 -6.243 6.305 361 H LYS 45 H LYS 45 1.770 -6.272 4.683 362 HA LYS 45 HA LYS 45 -0.387 -6.178 5.382 363 HB2 LYS 45 HB2 LYS 45 -0.134 -8.422 3.921 364 HB3 LYS 45 HB3 LYS 45 -0.663 -9.124 5.440 365 HG2 LYS 45 HG2 LYS 45 -2.113 -6.935 3.973 366 HG3 LYS 45 HG3 LYS 45 -2.512 -8.651 3.878 367 HD2 LYS 45 HD2 LYS 45 -3.735 -8.488 5.729 368 HD3 LYS 45 HD3 LYS 45 -2.336 -7.906 6.627 369 HE2 LYS 45 HE2 LYS 45 -2.897 -5.696 6.340 370 HE3 LYS 45 HE3 LYS 45 -3.802 -6.009 4.860 371 HZ1 LYS 45 HZ1 LYS 45 -5.216 -7.368 6.711 372 HZ2 LYS 45 HZ2 LYS 45 -5.580 -5.806 6.172 373 HZ3 LYS 45 HZ3 LYS 45 -4.696 -6.023 7.597 374 H GLY 46 H GLY 46 -0.139 -5.406 7.416 375 HA2 GLY 46 HA2 GLY 46 -0.588 -5.415 9.677 376 HA3 GLY 46 HA3 GLY 46 -0.936 -7.130 9.563 377 H GLN 47 H GLN 47 1.434 -4.716 10.244 378 HA GLN 47 HA GLN 47 3.008 -6.545 11.768 379 HB2 GLN 47 HB2 GLN 47 3.861 -7.072 9.523 380 HB3 GLN 47 HB3 GLN 47 4.241 -5.375 9.265 381 HG2 GLN 47 HG2 GLN 47 6.276 -6.341 9.830 382 HG3 GLN 47 HG3 GLN 47 5.733 -5.577 11.323 383 HE21 GLN 47 HE21 GLN 47 7.299 -7.082 12.267 384 HE22 GLN 47 HE22 GLN 47 6.780 -8.685 12.646 385 H LEU 48 H LEU 48 4.369 -5.492 13.208 386 HA LEU 48 HA LEU 48 3.752 -2.769 13.738 387 HB2 LEU 48 HB2 LEU 48 4.254 -4.354 15.525 388 HB3 LEU 48 HB3 LEU 48 5.885 -4.552 14.912 389 HG LEU 48 HG LEU 48 6.457 -2.290 15.511 390 HD11 LEU 48 HD11 LEU 48 4.322 -1.229 14.984 391 HD12 LEU 48 HD12 LEU 48 4.872 -0.795 16.603 392 HD13 LEU 48 HD13 LEU 48 3.591 -1.990 16.396 393 HD21 LEU 48 HD21 LEU 48 6.387 -4.160 17.252 394 HD22 LEU 48 HD22 LEU 48 4.939 -3.363 17.866 395 HD23 LEU 48 HD23 LEU 48 6.476 -2.500 17.841 396 H CYS 49 H CYS 49 4.557 -1.068 12.728 397 HA CYS 49 HA CYS 49 7.368 -0.733 12.338 398 HB2 CYS 49 HB2 CYS 49 5.644 -1.536 10.059 399 HB3 CYS 49 HB3 CYS 49 6.799 -0.242 9.758 400 HG CYS 49 HG CYS 49 7.694 -2.791 9.326 401 H LEU 50 H LEU 50 7.120 1.146 13.495 402 HA LEU 50 HA LEU 50 5.231 3.079 13.412 403 HB2 LEU 50 HB2 LEU 50 7.392 4.690 13.614 404 HB3 LEU 50 HB3 LEU 50 6.717 3.768 14.937 405 HG LEU 50 HG LEU 50 9.266 3.749 14.565 406 HD11 LEU 50 HD11 LEU 50 7.482 1.942 15.700 407 HD12 LEU 50 HD12 LEU 50 9.212 2.078 16.012 408 HD13 LEU 50 HD13 LEU 50 8.623 0.953 14.789 409 HD21 LEU 50 HD21 LEU 50 9.253 1.384 12.978 410 HD22 LEU 50 HD22 LEU 50 10.088 2.910 12.690 411 HD23 LEU 50 HD23 LEU 50 8.451 2.673 12.083 412 H ARG 51 H ARG 51 5.196 5.242 12.424 413 HA ARG 51 HA ARG 51 4.992 5.130 9.665 414 HB2 ARG 51 HB2 ARG 51 4.769 7.565 9.723 415 HB3 ARG 51 HB3 ARG 51 3.855 6.815 11.024 416 HG2 ARG 51 HG2 ARG 51 5.692 7.350 12.581 417 HG3 ARG 51 HG3 ARG 51 6.530 8.176 11.266 418 HD2 ARG 51 HD2 ARG 51 4.890 9.850 11.126 419 HD3 ARG 51 HD3 ARG 51 3.730 8.908 12.063 420 HE ARG 51 HE ARG 51 4.641 9.782 13.961 421 HH11 ARG 51 HH11 ARG 51 6.959 10.128 11.375 422 HH12 ARG 51 HH12 ARG 51 8.072 11.049 12.328 423 HH21 ARG 51 HH21 ARG 51 6.104 10.994 15.216 424 HH22 ARG 51 HH22 ARG 51 7.588 11.541 14.509 425 H LYS 52 H LYS 52 7.797 5.675 11.589 426 HA LYS 52 HA LYS 52 9.350 7.032 9.647 427 HB2 LYS 52 HB2 LYS 52 10.332 5.262 11.885 428 HB3 LYS 52 HB3 LYS 52 11.267 6.481 11.031 429 HG2 LYS 52 HG2 LYS 52 9.449 8.116 11.893 430 HG3 LYS 52 HG3 LYS 52 9.104 6.835 13.056 431 HD2 LYS 52 HD2 LYS 52 11.020 7.180 14.197 432 HD3 LYS 52 HD3 LYS 52 11.950 7.510 12.734 433 HE2 LYS 52 HE2 LYS 52 9.924 9.515 13.555 434 HE3 LYS 52 HE3 LYS 52 11.390 9.394 14.528 435 HZ1 LYS 52 HZ1 LYS 52 12.431 9.427 12.087 436 HZ2 LYS 52 HZ2 LYS 52 12.155 10.829 12.992 437 HZ3 LYS 52 HZ3 LYS 52 11.044 10.354 11.809 438 H HIS 53 H HIS 53 9.225 3.657 10.620 439 HA HIS 53 HA HIS 53 11.051 2.597 8.836 440 HB2 HIS 53 HB2 HIS 53 9.739 1.435 10.720 441 HB3 HIS 53 HB3 HIS 53 8.483 1.195 9.514 442 HD1 HIS 53 HD1 HIS 53 10.252 0.417 7.103 443 HD2 HIS 53 HD2 HIS 53 10.723 -1.095 10.945 444 HE1 HIS 53 HE1 HIS 53 11.449 -1.776 6.820 445 HE2 HIS 53 HE2 HIS 53 11.647 -2.712 9.151 446 H LEU 54 H LEU 54 7.803 3.696 8.308 447 HA LEU 54 HA LEU 54 7.324 2.475 5.823 448 HB2 LEU 54 HB2 LEU 54 6.144 4.624 7.409 449 HB3 LEU 54 HB3 LEU 54 6.006 4.898 5.683 450 HG LEU 54 HG LEU 54 4.930 2.669 5.454 451 HD11 LEU 54 HD11 LEU 54 6.013 1.917 7.700 452 HD12 LEU 54 HD12 LEU 54 4.422 1.310 7.241 453 HD13 LEU 54 HD13 LEU 54 4.562 2.618 8.415 454 HD21 LEU 54 HD21 LEU 54 3.793 4.996 6.060 455 HD22 LEU 54 HD22 LEU 54 3.312 4.087 7.492 456 HD23 LEU 54 HD23 LEU 54 2.863 3.507 5.889 457 H LEU 55 H LEU 55 9.271 5.158 6.770 458 HA LEU 55 HA LEU 55 9.493 6.511 4.318 459 HB2 LEU 55 HB2 LEU 55 11.454 6.219 6.592 460 HB3 LEU 55 HB3 LEU 55 11.710 7.287 5.232 461 HG LEU 55 HG LEU 55 10.338 8.881 6.050 462 HD11 LEU 55 HD11 LEU 55 8.218 8.533 7.110 463 HD12 LEU 55 HD12 LEU 55 8.567 6.821 7.341 464 HD13 LEU 55 HD13 LEU 55 8.329 7.458 5.716 465 HD21 LEU 55 HD21 LEU 55 11.760 8.653 7.902 466 HD22 LEU 55 HD22 LEU 55 10.944 7.192 8.458 467 HD23 LEU 55 HD23 LEU 55 10.136 8.754 8.581 468 H GLU 56 H GLU 56 11.013 3.675 5.600 469 HA GLU 56 HA GLU 56 13.003 3.461 3.553 470 HB2 GLU 56 HB2 GLU 56 12.035 1.672 5.761 471 HB3 GLU 56 HB3 GLU 56 13.126 1.052 4.532 472 HG2 GLU 56 HG2 GLU 56 14.213 3.491 5.414 473 HG3 GLU 56 HG3 GLU 56 13.712 2.605 6.854 474 H GLU 57 H GLU 57 9.679 2.801 3.687 475 HA GLU 57 HA GLU 57 9.790 0.689 1.697 476 HB2 GLU 57 HB2 GLU 57 7.383 2.041 2.925 477 HB3 GLU 57 HB3 GLU 57 7.360 0.595 1.926 478 HG2 GLU 57 HG2 GLU 57 8.534 0.890 4.678 479 HG3 GLU 57 HG3 GLU 57 7.115 -0.046 4.211 480 H ILE 58 H ILE 58 9.060 4.072 1.951 481 HA ILE 58 HA ILE 58 8.149 4.205 -0.807 482 HB ILE 58 HB ILE 58 8.672 6.830 0.191 483 HG12 ILE 58 HG12 ILE 58 8.480 5.608 2.435 484 HG13 ILE 58 HG13 ILE 58 7.426 6.989 2.184 485 HG21 ILE 58 HG21 ILE 58 6.217 7.060 -0.114 486 HG22 ILE 58 HG22 ILE 58 6.137 5.323 -0.410 487 HG23 ILE 58 HG23 ILE 58 7.053 6.362 -1.502 488 HD11 ILE 58 HD11 ILE 58 5.549 5.581 1.783 489 HD12 ILE 58 HD12 ILE 58 6.336 5.035 3.264 490 HD13 ILE 58 HD13 ILE 58 6.567 4.141 1.761 491 H LYS 59 H LYS 59 10.988 4.677 1.076 492 HA LYS 59 HA LYS 59 12.429 6.129 -0.949 493 HB2 LYS 59 HB2 LYS 59 12.821 6.269 1.565 494 HB3 LYS 59 HB3 LYS 59 13.603 4.699 1.432 495 HG2 LYS 59 HG2 LYS 59 14.968 5.954 -0.460 496 HG3 LYS 59 HG3 LYS 59 14.514 7.362 0.502 497 HD2 LYS 59 HD2 LYS 59 15.455 5.172 2.157 498 HD3 LYS 59 HD3 LYS 59 16.658 5.659 0.961 499 HE2 LYS 59 HE2 LYS 59 15.311 7.875 2.343 500 HE3 LYS 59 HE3 LYS 59 16.307 6.851 3.377 501 HZ1 LYS 59 HZ1 LYS 59 17.618 8.646 2.506 502 HZ2 LYS 59 HZ2 LYS 59 17.191 8.259 0.916 503 HZ3 LYS 59 HZ3 LYS 59 18.154 7.198 1.815 504 H ASN 60 H ASN 60 11.855 2.807 -0.110 505 HA ASN 60 HA ASN 60 14.012 1.891 -1.826 506 HB2 ASN 60 HB2 ASN 60 12.193 0.529 0.135 507 HB3 ASN 60 HB3 ASN 60 13.090 -0.410 -1.055 508 HD21 ASN 60 HD21 ASN 60 13.733 2.304 1.148 509 HD22 ASN 60 HD22 ASN 60 15.210 1.663 1.774 510 H HIS 61 H HIS 61 11.724 3.292 -2.934 511 HA HIS 61 HA HIS 61 11.134 1.527 -5.080 512 HB2 HIS 61 HB2 HIS 61 9.503 0.915 -3.141 513 HB3 HIS 61 HB3 HIS 61 8.687 2.411 -3.584 514 HD1 HIS 61 HD1 HIS 61 10.006 -0.575 -5.561 515 HD2 HIS 61 HD2 HIS 61 6.654 1.861 -5.258 516 HE1 HIS 61 HE1 HIS 61 8.391 -1.438 -7.285 517 HE2 HIS 61 HE2 HIS 61 6.405 0.107 -7.143 518 H ALA 62 H ALA 62 9.559 4.293 -3.469 519 HA ALA 62 HA ALA 62 10.472 6.256 -5.232 520 HB1 ALA 62 HB1 ALA 62 8.786 4.678 -6.614 521 HB2 ALA 62 HB2 ALA 62 9.002 6.398 -6.938 522 HB3 ALA 62 HB3 ALA 62 7.644 5.849 -5.957 523 H LYS 63 H LYS 63 10.585 7.510 -3.406 524 HA LYS 63 HA LYS 63 8.232 7.939 -1.767 525 HB2 LYS 63 HB2 LYS 63 9.716 9.423 -0.454 526 HB3 LYS 63 HB3 LYS 63 10.381 7.807 -0.653 527 HG2 LYS 63 HG2 LYS 63 12.179 8.561 -1.735 528 HG3 LYS 63 HG3 LYS 63 11.228 9.659 -2.737 529 HD2 LYS 63 HD2 LYS 63 11.118 11.247 -0.862 530 HD3 LYS 63 HD3 LYS 63 12.106 10.153 0.109 531 HE2 LYS 63 HE2 LYS 63 12.950 11.424 -2.494 532 HE3 LYS 63 HE3 LYS 63 13.422 11.981 -0.889 533 HZ1 LYS 63 HZ1 LYS 63 15.160 10.635 -1.805 534 HZ2 LYS 63 HZ2 LYS 63 14.090 9.364 -2.121 535 HZ3 LYS 63 HZ3 LYS 63 14.451 9.787 -0.524 536 H ALA 64 H ALA 64 7.432 8.695 -4.137 537 HA ALA 64 HA ALA 64 6.550 10.385 -5.368 538 HB1 ALA 64 HB1 ALA 64 6.960 12.488 -3.367 539 HB2 ALA 64 HB2 ALA 64 6.124 11.056 -2.766 540 HB3 ALA 64 HB3 ALA 64 5.479 11.937 -4.150 541 H ILE 65 H ILE 65 9.338 9.873 -5.582 542 HA ILE 65 HA ILE 65 11.331 10.773 -6.273 543 HB ILE 65 HB ILE 65 10.097 10.836 -8.321 544 HG12 ILE 65 HG12 ILE 65 11.160 12.750 -9.478 545 HG13 ILE 65 HG13 ILE 65 11.561 13.455 -7.916 546 HG21 ILE 65 HG21 ILE 65 8.098 11.947 -7.675 547 HG22 ILE 65 HG22 ILE 65 8.817 12.872 -8.992 548 HG23 ILE 65 HG23 ILE 65 8.965 13.442 -7.331 549 HD11 ILE 65 HD11 ILE 65 12.654 10.963 -9.170 550 HD12 ILE 65 HD12 ILE 65 12.846 11.319 -7.454 551 HD13 ILE 65 HD13 ILE 65 13.518 12.414 -8.663 552 H VAL 66 H VAL 66 11.927 11.696 -4.232 553 HA VAL 66 HA VAL 66 12.524 13.359 -2.786 554 HB VAL 66 HB VAL 66 12.935 14.768 -5.422 555 HG11 VAL 66 HG11 VAL 66 14.776 15.864 -3.793 556 HG12 VAL 66 HG12 VAL 66 13.466 15.602 -2.641 557 HG13 VAL 66 HG13 VAL 66 13.189 16.575 -4.085 558 HG21 VAL 66 HG21 VAL 66 14.137 12.511 -4.623 559 HG22 VAL 66 HG22 VAL 66 15.195 13.694 -3.855 560 HG23 VAL 66 HG23 VAL 66 14.941 13.740 -5.599 561 H ALA 67 H ALA 67 10.603 13.803 -1.714 562 HA ALA 67 HA ALA 67 9.220 16.244 -2.606 563 HB1 ALA 67 HB1 ALA 67 7.304 14.867 -1.182 564 HB2 ALA 67 HB2 ALA 67 8.106 13.603 -2.114 565 HB3 ALA 67 HB3 ALA 67 7.402 14.993 -2.939 566 H ARG 68 H ARG 68 7.588 16.730 -0.528 567 HA ARG 68 HA ARG 68 9.310 17.789 1.427 568 HB2 ARG 68 HB2 ARG 68 6.759 18.290 0.684 569 HB3 ARG 68 HB3 ARG 68 6.483 17.403 2.177 570 HG2 ARG 68 HG2 ARG 68 7.917 18.989 3.375 571 HG3 ARG 68 HG3 ARG 68 8.157 19.888 1.875 572 HD2 ARG 68 HD2 ARG 68 5.445 19.739 1.983 573 HD3 ARG 68 HD3 ARG 68 5.853 19.821 3.696 574 HE ARG 68 HE ARG 68 7.271 21.795 2.252 575 HH11 ARG 68 HH11 ARG 68 4.074 21.044 3.433 576 HH12 ARG 68 HH12 ARG 68 3.593 22.703 3.555 577 HH21 ARG 68 HH21 ARG 68 6.641 23.978 2.416 578 HH22 ARG 68 HH22 ARG 68 5.050 24.369 2.978 579 H ASN 69 H ASN 69 6.765 15.396 1.892 580 HA ASN 69 HA ASN 69 8.479 13.712 3.486 581 HB2 ASN 69 HB2 ASN 69 6.100 15.073 4.771 582 HB3 ASN 69 HB3 ASN 69 7.077 13.808 5.510 583 HD21 ASN 69 HD21 ASN 69 6.633 17.085 5.205 584 HD22 ASN 69 HD22 ASN 69 8.159 17.623 5.809 585 H VAL 70 H VAL 70 7.248 11.769 4.308 586 HA VAL 70 HA VAL 70 5.448 10.891 2.203 587 HB VAL 70 HB VAL 70 7.312 9.423 2.843 588 HG11 VAL 70 HG11 VAL 70 6.441 8.229 5.208 589 HG12 VAL 70 HG12 VAL 70 6.336 9.965 5.499 590 HG13 VAL 70 HG13 VAL 70 7.862 9.249 4.984 591 HG21 VAL 70 HG21 VAL 70 4.487 8.591 2.968 592 HG22 VAL 70 HG22 VAL 70 5.665 7.417 3.554 593 HG23 VAL 70 HG23 VAL 70 5.789 8.047 1.910 594 H ASP 71 H ASP 71 5.387 11.705 5.571 595 HA ASP 71 HA ASP 71 2.948 10.470 6.254 596 HB2 ASP 71 HB2 ASP 71 4.818 12.291 7.496 597 HB3 ASP 71 HB3 ASP 71 3.161 12.789 7.824 598 H VAL 72 H VAL 72 3.733 13.495 4.742 599 HA VAL 72 HA VAL 72 1.032 14.500 4.871 600 HB VAL 72 HB VAL 72 3.274 15.540 3.139 601 HG11 VAL 72 HG11 VAL 72 1.887 17.704 3.746 602 HG12 VAL 72 HG12 VAL 72 0.591 16.526 3.952 603 HG13 VAL 72 HG13 VAL 72 1.424 16.659 2.403 604 HG21 VAL 72 HG21 VAL 72 3.968 16.967 4.897 605 HG22 VAL 72 HG22 VAL 72 3.870 15.346 5.586 606 HG23 VAL 72 HG23 VAL 72 2.590 16.517 5.901 607 H HIS 73 H HIS 73 2.948 12.589 2.746 608 HA HIS 73 HA HIS 73 1.254 12.947 0.451 609 HB2 HIS 73 HB2 HIS 73 3.750 11.526 1.068 610 HB3 HIS 73 HB3 HIS 73 2.702 10.674 -0.061 611 HD1 HIS 73 HD1 HIS 73 3.399 14.403 0.173 612 HD2 HIS 73 HD2 HIS 73 3.827 11.224 -2.467 613 HE1 HIS 73 HE1 HIS 73 4.251 15.415 -1.965 614 HE2 HIS 73 HE2 HIS 73 4.394 13.488 -3.581 615 H ILE 74 H ILE 74 1.475 10.817 3.169 616 HA ILE 74 HA ILE 74 -0.193 8.760 2.109 617 HB ILE 74 HB ILE 74 0.671 9.432 4.916 618 HG12 ILE 74 HG12 ILE 74 1.273 7.095 3.091 619 HG13 ILE 74 HG13 ILE 74 2.350 8.452 3.397 620 HG21 ILE 74 HG21 ILE 74 -1.226 8.398 5.573 621 HG22 ILE 74 HG22 ILE 74 -0.319 6.938 5.178 622 HG23 ILE 74 HG23 ILE 74 -1.462 7.608 4.014 623 HD11 ILE 74 HD11 ILE 74 1.712 6.116 5.078 624 HD12 ILE 74 HD12 ILE 74 1.966 7.651 5.908 625 HD13 ILE 74 HD13 ILE 74 3.229 6.990 4.870 626 H ALA 75 H ALA 75 -0.715 11.810 3.651 627 HA ALA 75 HA ALA 75 -3.372 11.376 4.514 628 HB1 ALA 75 HB1 ALA 75 -3.432 13.619 5.075 629 HB2 ALA 75 HB2 ALA 75 -2.379 14.082 3.738 630 HB3 ALA 75 HB3 ALA 75 -1.706 13.265 5.150 631 H SER 76 H SER 76 -1.962 12.667 1.580 632 HA SER 76 HA SER 76 -4.449 13.304 0.344 633 HB2 SER 76 HB2 SER 76 -1.928 14.024 -0.224 634 HB3 SER 76 HB3 SER 76 -2.083 12.676 -1.351 635 HG SER 76 HG SER 76 -3.973 14.779 -1.177 636 H LEU 77 H LEU 77 -2.468 10.486 0.594 637 HA LEU 77 HA LEU 77 -3.613 8.982 -1.498 638 HB2 LEU 77 HB2 LEU 77 -1.524 8.266 -0.608 639 HB3 LEU 77 HB3 LEU 77 -2.163 8.213 1.023 640 HG LEU 77 HG LEU 77 -3.718 6.346 0.103 641 HD11 LEU 77 HD11 LEU 77 -3.338 6.498 -2.217 642 HD12 LEU 77 HD12 LEU 77 -2.508 5.035 -1.689 643 HD13 LEU 77 HD13 LEU 77 -1.587 6.505 -2.008 644 HD21 LEU 77 HD21 LEU 77 -1.893 4.668 0.487 645 HD22 LEU 77 HD22 LEU 77 -2.081 5.875 1.759 646 HD23 LEU 77 HD23 LEU 77 -0.768 6.021 0.593 647 H ARG 78 H ARG 78 -4.538 9.681 1.766 648 HA ARG 78 HA ARG 78 -6.419 7.640 2.169 649 HB2 ARG 78 HB2 ARG 78 -5.445 9.483 3.786 650 HB3 ARG 78 HB3 ARG 78 -6.878 10.371 3.289 651 HG2 ARG 78 HG2 ARG 78 -8.224 9.132 4.561 652 HG3 ARG 78 HG3 ARG 78 -7.454 7.624 4.064 653 HD2 ARG 78 HD2 ARG 78 -5.784 7.811 5.707 654 HD3 ARG 78 HD3 ARG 78 -6.142 9.513 5.996 655 HE ARG 78 HE ARG 78 -8.349 7.789 6.599 656 HH11 ARG 78 HH11 ARG 78 -5.367 9.114 7.836 657 HH12 ARG 78 HH12 ARG 78 -5.833 8.943 9.495 658 HH21 ARG 78 HH21 ARG 78 -8.965 7.565 8.781 659 HH22 ARG 78 HH22 ARG 78 -7.875 8.063 10.032 660 H LYS 79 H LYS 79 -6.520 10.551 0.311 661 HA LYS 79 HA LYS 79 -9.354 10.714 0.096 662 HB2 LYS 79 HB2 LYS 79 -7.066 11.991 -1.346 663 HB3 LYS 79 HB3 LYS 79 -8.700 12.156 -1.972 664 HG2 LYS 79 HG2 LYS 79 -9.330 13.574 -0.341 665 HG3 LYS 79 HG3 LYS 79 -8.362 12.760 0.890 666 HD2 LYS 79 HD2 LYS 79 -6.347 13.746 -0.438 667 HD3 LYS 79 HD3 LYS 79 -7.555 14.865 -1.075 668 HE2 LYS 79 HE2 LYS 79 -6.438 15.805 0.876 669 HE3 LYS 79 HE3 LYS 79 -8.148 15.524 1.202 670 HZ1 LYS 79 HZ1 LYS 79 -6.507 14.827 2.978 671 HZ2 LYS 79 HZ2 LYS 79 -6.070 13.556 1.951 672 HZ3 LYS 79 HZ3 LYS 79 -7.658 13.674 2.522 673 H LYS 80 H LYS 80 -6.867 9.721 -2.192 674 HA LYS 80 HA LYS 80 -8.738 8.660 -4.047 675 HB2 LYS 80 HB2 LYS 80 -5.750 8.337 -3.834 676 HB3 LYS 80 HB3 LYS 80 -6.712 7.712 -5.167 677 HG2 LYS 80 HG2 LYS 80 -6.226 9.653 -6.156 678 HG3 LYS 80 HG3 LYS 80 -7.491 10.316 -5.119 679 HD2 LYS 80 HD2 LYS 80 -6.022 11.493 -3.904 680 HD3 LYS 80 HD3 LYS 80 -4.898 10.138 -3.794 681 HE2 LYS 80 HE2 LYS 80 -3.659 10.870 -5.521 682 HE3 LYS 80 HE3 LYS 80 -5.073 11.355 -6.455 683 HZ1 LYS 80 HZ1 LYS 80 -4.206 13.384 -6.012 684 HZ2 LYS 80 HZ2 LYS 80 -3.473 12.902 -4.566 685 HZ3 LYS 80 HZ3 LYS 80 -5.134 13.219 -4.607 686 H LEU 81 H LEU 81 -6.376 7.175 -1.904 687 HA LEU 81 HA LEU 81 -7.202 4.510 -2.390 688 HB2 LEU 81 HB2 LEU 81 -4.977 5.232 -1.471 689 HB3 LEU 81 HB3 LEU 81 -5.775 5.564 0.049 690 HG LEU 81 HG LEU 81 -5.627 3.438 0.693 691 HD11 LEU 81 HD11 LEU 81 -7.551 2.711 -0.474 692 HD12 LEU 81 HD12 LEU 81 -6.293 1.516 -0.776 693 HD13 LEU 81 HD13 LEU 81 -6.697 2.700 -2.017 694 HD21 LEU 81 HD21 LEU 81 -4.060 3.067 -1.853 695 HD22 LEU 81 HD22 LEU 81 -3.998 2.022 -0.434 696 HD23 LEU 81 HD23 LEU 81 -3.429 3.688 -0.328 697 H GLY 82 H GLY 82 -7.456 6.277 0.702 698 HA2 GLY 82 HA2 GLY 82 -9.338 6.520 2.067 699 HA3 GLY 82 HA3 GLY 82 -10.241 5.489 0.967 700 H ALA 83 H ALA 83 -8.900 3.184 0.890 701 HA ALA 83 HA ALA 83 -9.519 1.977 3.365 702 HB1 ALA 83 HB1 ALA 83 -9.216 1.071 0.822 703 HB2 ALA 83 HB2 ALA 83 -9.360 0.044 2.249 704 HB3 ALA 83 HB3 ALA 83 -7.767 0.444 1.607 705 H TYR 84 H TYR 84 -6.433 1.901 1.720 706 HA TYR 84 HA TYR 84 -4.857 1.130 3.850 707 HB2 TYR 84 HB2 TYR 84 -4.074 1.198 1.510 708 HB3 TYR 84 HB3 TYR 84 -4.039 2.956 1.590 709 HD1 TYR 84 HD1 TYR 84 -2.475 -0.122 2.896 710 HD2 TYR 84 HD2 TYR 84 -2.224 4.110 2.579 711 HE1 TYR 84 HE1 TYR 84 -0.168 -0.201 3.737 712 HE2 TYR 84 HE2 TYR 84 0.086 4.045 3.417 713 HH TYR 84 HH TYR 84 1.470 2.434 4.874 714 H GLY 85 H GLY 85 -5.886 4.375 2.922 715 HA2 GLY 85 HA2 GLY 85 -4.266 5.966 4.463 716 HA3 GLY 85 HA3 GLY 85 -5.963 6.309 4.173 717 H SER 86 H SER 86 -7.064 4.097 5.504 718 HA SER 86 HA SER 86 -6.726 4.976 8.255 719 HB2 SER 86 HB2 SER 86 -8.862 3.714 6.688 720 HB3 SER 86 HB3 SER 86 -8.675 3.030 8.303 721 HG SER 86 HG SER 86 -8.842 5.815 7.822 722 H ARG 87 H ARG 87 -5.820 2.396 6.191 723 HA ARG 87 HA ARG 87 -5.599 0.257 7.959 724 HB2 ARG 87 HB2 ARG 87 -5.288 0.127 5.497 725 HB3 ARG 87 HB3 ARG 87 -3.731 0.924 5.679 726 HG2 ARG 87 HG2 ARG 87 -2.841 -0.924 6.891 727 HG3 ARG 87 HG3 ARG 87 -4.429 -1.687 6.998 728 HD2 ARG 87 HD2 ARG 87 -2.664 -1.351 4.592 729 HD3 ARG 87 HD3 ARG 87 -3.312 -2.838 5.282 730 HE ARG 87 HE ARG 87 -4.576 -1.150 3.373 731 HH11 ARG 87 HH11 ARG 87 -5.221 -3.267 6.072 732 HH12 ARG 87 HH12 ARG 87 -6.824 -3.655 5.545 733 HH21 ARG 87 HH21 ARG 87 -6.684 -1.660 2.679 734 HH22 ARG 87 HH22 ARG 87 -7.654 -2.744 3.619 735 H ILE 88 H ILE 88 -3.572 3.081 7.551 736 HA ILE 88 HA ILE 88 -1.332 2.090 8.993 737 HB ILE 88 HB ILE 88 -1.028 4.708 9.338 738 HG12 ILE 88 HG12 ILE 88 -2.644 4.682 6.806 739 HG13 ILE 88 HG13 ILE 88 -3.382 5.048 8.362 740 HG21 ILE 88 HG21 ILE 88 0.183 4.775 7.221 741 HG22 ILE 88 HG22 ILE 88 -0.649 3.309 6.702 742 HG23 ILE 88 HG23 ILE 88 0.458 3.256 8.074 743 HD11 ILE 88 HD11 ILE 88 -1.044 6.546 7.211 744 HD12 ILE 88 HD12 ILE 88 -1.987 6.966 8.641 745 HD13 ILE 88 HD13 ILE 88 -2.728 7.041 7.043 746 H VAL 89 H VAL 89 -2.123 1.168 10.910 747 HA VAL 89 HA VAL 89 -3.733 2.669 12.746 748 HB VAL 89 HB VAL 89 -2.140 0.175 13.335 749 HG11 VAL 89 HG11 VAL 89 -3.303 -0.012 15.272 750 HG12 VAL 89 HG12 VAL 89 -4.747 0.754 14.608 751 HG13 VAL 89 HG13 VAL 89 -3.375 1.743 15.109 752 HG21 VAL 89 HG21 VAL 89 -5.001 0.311 12.401 753 HG22 VAL 89 HG22 VAL 89 -4.022 -1.131 12.672 754 HG23 VAL 89 HG23 VAL 89 -3.639 -0.043 11.338 755 H THR 90 H THR 90 -2.855 4.446 13.626 756 HA THR 90 HA THR 90 -0.064 4.534 14.383 757 HB THR 90 HB THR 90 -0.954 6.547 13.457 758 HG1 THR 90 HG1 THR 90 0.435 6.791 15.302 759 HG21 THR 90 HG21 THR 90 -2.735 7.777 14.927 760 HG22 THR 90 HG22 THR 90 -3.189 6.130 15.367 761 HG23 THR 90 HG23 THR 90 -3.221 6.632 13.677 762 H LEU 91 H LEU 91 -0.164 2.798 15.954 763 HA LEU 91 HA LEU 91 -1.762 3.002 18.297 764 HB2 LEU 91 HB2 LEU 91 0.142 1.162 17.180 765 HB3 LEU 91 HB3 LEU 91 0.521 1.442 18.869 766 HG LEU 91 HG LEU 91 -2.308 0.838 18.168 767 HD11 LEU 91 HD11 LEU 91 -1.623 -0.972 17.002 768 HD12 LEU 91 HD12 LEU 91 -1.420 -1.647 18.619 769 HD13 LEU 91 HD13 LEU 91 -0.028 -0.993 17.756 770 HD21 LEU 91 HD21 LEU 91 -0.884 -0.460 20.398 771 HD22 LEU 91 HD22 LEU 91 -2.480 0.289 20.349 772 HD23 LEU 91 HD23 LEU 91 -1.038 1.294 20.497 773 H ARG 92 H ARG 92 -1.526 4.461 19.849 774 HA ARG 92 HA ARG 92 0.801 6.069 20.126 775 HB2 ARG 92 HB2 ARG 92 -1.871 6.005 21.198 776 HB3 ARG 92 HB3 ARG 92 -0.717 6.258 22.499 777 HG2 ARG 92 HG2 ARG 92 -0.804 8.411 21.953 778 HG3 ARG 92 HG3 ARG 92 0.179 7.976 20.554 779 HD2 ARG 92 HD2 ARG 92 -2.670 7.489 20.159 780 HD3 ARG 92 HD3 ARG 92 -2.294 9.180 20.482 781 HE ARG 92 HE ARG 92 -1.646 7.681 18.120 782 HH11 ARG 92 HH11 ARG 92 -0.759 10.418 20.095 783 HH12 ARG 92 HH12 ARG 92 0.019 11.261 18.798 784 HH21 ARG 92 HH21 ARG 92 -0.623 8.789 16.413 785 HH22 ARG 92 HH22 ARG 92 0.096 10.337 16.707 786 H GLY 93 H GLY 93 2.413 4.388 20.370 787 HA2 GLY 93 HA2 GLY 93 3.713 4.114 22.629 788 HA3 GLY 93 HA3 GLY 93 2.402 2.987 22.943 789 H VAL 94 H VAL 94 2.257 2.143 20.132 790 HA VAL 94 HA VAL 94 4.541 0.307 20.191 791 HB VAL 94 HB VAL 94 2.274 -0.008 18.267 792 HG11 VAL 94 HG11 VAL 94 3.603 -2.170 19.843 793 HG12 VAL 94 HG12 VAL 94 4.432 -1.443 18.467 794 HG13 VAL 94 HG13 VAL 94 2.874 -2.237 18.238 795 HG21 VAL 94 HG21 VAL 94 2.135 -0.898 21.146 796 HG22 VAL 94 HG22 VAL 94 0.928 -1.176 19.890 797 HG23 VAL 94 HG23 VAL 94 1.237 0.461 20.468 798 H GLY 95 H GLY 95 2.645 2.072 17.732 799 HA2 GLY 95 HA2 GLY 95 4.433 3.580 16.478 800 HA3 GLY 95 HA3 GLY 95 4.928 1.989 15.921 801 H TYR 96 H TYR 96 4.120 1.411 14.030 802 HA TYR 96 HA TYR 96 1.452 2.406 13.281 803 HB2 TYR 96 HB2 TYR 96 3.980 2.838 11.961 804 HB3 TYR 96 HB3 TYR 96 2.888 1.961 10.901 805 HD1 TYR 96 HD1 TYR 96 2.091 4.557 13.446 806 HD2 TYR 96 HD2 TYR 96 2.241 3.551 9.315 807 HE1 TYR 96 HE1 TYR 96 0.956 6.668 12.896 808 HE2 TYR 96 HE2 TYR 96 1.106 5.659 8.754 809 HH TYR 96 HH TYR 96 -0.469 7.284 9.978 810 H LEU 97 H LEU 97 0.169 0.668 13.404 811 HA LEU 97 HA LEU 97 1.180 -1.894 12.380 812 HB2 LEU 97 HB2 LEU 97 0.401 -2.100 14.623 813 HB3 LEU 97 HB3 LEU 97 -1.076 -1.227 14.262 814 HG LEU 97 HG LEU 97 -0.883 -3.568 12.590 815 HD11 LEU 97 HD11 LEU 97 -1.397 -4.939 14.889 816 HD12 LEU 97 HD12 LEU 97 -0.053 -3.901 15.367 817 HD13 LEU 97 HD13 LEU 97 0.118 -4.987 13.987 818 HD21 LEU 97 HD21 LEU 97 -3.024 -2.885 12.795 819 HD22 LEU 97 HD22 LEU 97 -2.787 -2.266 14.429 820 HD23 LEU 97 HD23 LEU 97 -3.009 -3.996 14.165 821 H PHE 98 H PHE 98 0.022 -3.081 10.879 822 HA PHE 98 HA PHE 98 -1.866 -1.502 9.286 823 HB2 PHE 98 HB2 PHE 98 -0.778 -4.085 8.286 824 HB3 PHE 98 HB3 PHE 98 -1.125 -2.604 7.407 825 HD1 PHE 98 HD1 PHE 98 0.475 -0.751 9.245 826 HD2 PHE 98 HD2 PHE 98 1.402 -4.483 7.419 827 HE1 PHE 98 HE1 PHE 98 2.866 -0.173 9.279 828 HE2 PHE 98 HE2 PHE 98 3.791 -3.911 7.453 829 HZ PHE 98 HZ PHE 98 4.527 -1.754 8.384 830 H SER 99 H SER 99 -3.709 -1.834 10.464 831 HA SER 99 HA SER 99 -4.752 -3.969 11.702 832 HB2 SER 99 HB2 SER 99 -6.815 -2.947 11.584 833 HB3 SER 99 HB3 SER 99 -5.757 -1.601 11.162 834 HG SER 99 HG SER 99 -6.740 -1.514 9.321 835 H ASP 100 H ASP 100 -6.443 -5.499 11.159 836 HA ASP 100 HA ASP 100 -5.707 -7.122 8.905 837 HB2 ASP 100 HB2 ASP 100 -7.097 -7.440 11.393 838 HB3 ASP 100 HB3 ASP 100 -8.078 -8.096 10.090 839 H ASP 101 H ASP 101 -7.989 -4.693 9.496 840 HA ASP 101 HA ASP 101 -10.199 -5.351 7.987 841 HB2 ASP 101 HB2 ASP 101 -9.015 -2.920 9.068 842 HB3 ASP 101 HB3 ASP 101 -9.921 -2.624 7.589 843 H GLY 102 H GLY 102 -8.426 -6.488 6.337 844 HA2 GLY 102 HA2 GLY 102 -8.961 -6.089 3.835 845 HA3 GLY 102 HA3 GLY 102 -7.985 -4.651 4.095 846 H ASP 103 H ASP 103 -7.906 -8.178 4.395 847 HA ASP 103 HA ASP 103 -5.023 -8.200 4.326 848 HB2 ASP 103 HB2 ASP 103 -6.640 -9.764 5.685 849 HB3 ASP 103 HB3 ASP 103 -6.680 -10.684 4.185 850 H LYS 104 H LYS 104 -3.938 -9.802 2.836 851 HA LYS 104 HA LYS 104 -4.369 -9.086 0.172 852 HB2 LYS 104 HB2 LYS 104 -2.722 -10.893 -0.294 853 HB3 LYS 104 HB3 LYS 104 -2.195 -9.762 0.934 854 HG2 LYS 104 HG2 LYS 104 -1.647 -11.635 2.040 855 HG3 LYS 104 HG3 LYS 104 -3.356 -11.634 2.479 856 HD2 LYS 104 HD2 LYS 104 -3.409 -12.904 0.069 857 HD3 LYS 104 HD3 LYS 104 -1.858 -13.439 0.716 858 HE2 LYS 104 HE2 LYS 104 -2.835 -14.769 2.221 859 HE3 LYS 104 HE3 LYS 104 -3.977 -13.516 2.703 860 HZ1 LYS 104 HZ1 LYS 104 -5.291 -15.199 1.815 861 HZ2 LYS 104 HZ2 LYS 104 -4.235 -15.499 0.529 862 HZ3 LYS 104 HZ3 LYS 104 -5.170 -14.089 0.543 863 H LYS 105 H LYS 105 -4.242 -11.296 -1.389 864 HA LYS 105 HA LYS 105 -6.504 -12.985 -0.723 865 HB2 LYS 105 HB2 LYS 105 -7.030 -10.840 -2.210 866 HB3 LYS 105 HB3 LYS 105 -6.449 -11.898 -3.489 867 HG2 LYS 105 HG2 LYS 105 -8.885 -11.971 -3.248 868 HG3 LYS 105 HG3 LYS 105 -8.136 -13.541 -2.950 869 HD2 LYS 105 HD2 LYS 105 -8.287 -12.100 -0.487 870 HD3 LYS 105 HD3 LYS 105 -9.872 -12.078 -1.262 871 HE2 LYS 105 HE2 LYS 105 -8.333 -14.634 -1.095 872 HE3 LYS 105 HE3 LYS 105 -9.209 -14.047 0.318 873 HZ1 LYS 105 HZ1 LYS 105 -11.199 -13.895 -1.192 874 HZ2 LYS 105 HZ2 LYS 105 -10.675 -15.460 -0.825 875 HZ3 LYS 105 HZ3 LYS 105 -10.312 -14.779 -2.330 876 H PHE 106 H PHE 106 -5.945 -15.026 -1.041 877 HA PHE 106 HA PHE 106 -3.554 -15.825 -2.258 878 HB2 PHE 106 HB2 PHE 106 -5.322 -17.045 -0.632 879 HB3 PHE 106 HB3 PHE 106 -5.766 -17.797 -2.160 880 HD1 PHE 106 HD1 PHE 106 -2.576 -16.859 -0.456 881 HD2 PHE 106 HD2 PHE 106 -4.822 -19.852 -2.483 882 HE1 PHE 106 HE1 PHE 106 -0.691 -18.423 -0.227 883 HE2 PHE 106 HE2 PHE 106 -2.941 -21.422 -2.258 884 HZ PHE 106 HZ PHE 106 -0.872 -20.708 -1.128 885 H SER 107 H SER 107 -3.185 -17.029 -4.185 886 HA SER 107 HA SER 107 -5.252 -17.070 -6.197 887 HB2 SER 107 HB2 SER 107 -4.089 -14.800 -6.307 888 HB3 SER 107 HB3 SER 107 -2.656 -15.678 -6.841 889 HG SER 107 HG SER 107 -3.854 -14.975 -8.623 890 H GLN 108 H GLN 108 -4.403 -18.097 -8.263 891 HA GLN 108 HA GLN 108 -3.293 -20.598 -7.668 892 HB2 GLN 108 HB2 GLN 108 -4.170 -19.163 -10.058 893 HB3 GLN 108 HB3 GLN 108 -2.832 -20.259 -10.375 894 HG2 GLN 108 HG2 GLN 108 -4.228 -21.967 -10.408 895 HG3 GLN 108 HG3 GLN 108 -4.699 -21.627 -8.744 896 HE21 GLN 108 HE21 GLN 108 -5.444 -21.040 -12.108 897 HE22 GLN 108 HE22 GLN 108 -7.080 -20.545 -11.861 898 H GLN 109 H GLN 109 -1.786 -18.346 -9.966 899 HA GLN 109 HA GLN 109 0.787 -19.430 -9.663 900 HB2 GLN 109 HB2 GLN 109 -0.459 -17.333 -11.182 901 HB3 GLN 109 HB3 GLN 109 1.064 -16.752 -10.525 902 HG2 GLN 109 HG2 GLN 109 1.329 -17.710 -12.753 903 HG3 GLN 109 HG3 GLN 109 2.246 -18.601 -11.539 904 HE21 GLN 109 HE21 GLN 109 1.678 -20.690 -11.045 905 HE22 GLN 109 HE22 GLN 109 0.544 -21.603 -11.976 906 H ASP 110 H ASP 110 2.598 -17.502 -9.263 907 HA ASP 110 HA ASP 110 2.033 -16.161 -6.746 908 HB2 ASP 110 HB2 ASP 110 3.175 -18.651 -6.663 909 HB3 ASP 110 HB3 ASP 110 4.587 -17.599 -6.665 910 H THR 111 H THR 111 4.926 -17.045 -8.544 911 HA THR 111 HA THR 111 5.325 -14.393 -9.529 912 HB THR 111 HB THR 111 7.712 -14.449 -8.356 913 HG1 THR 111 HG1 THR 111 6.024 -15.746 -6.483 914 HG21 THR 111 HG21 THR 111 6.983 -12.914 -6.724 915 HG22 THR 111 HG22 THR 111 5.345 -13.567 -6.736 916 HG23 THR 111 HG23 THR 111 5.948 -12.675 -8.132 917 H LYS 112 H LYS 112 5.894 -14.855 -11.549 918 HA LYS 112 HA LYS 112 8.015 -16.812 -11.978 919 HB2 LYS 112 HB2 LYS 112 5.324 -16.685 -13.204 920 HB3 LYS 112 HB3 LYS 112 6.658 -17.064 -14.285 921 HG2 LYS 112 HG2 LYS 112 7.299 -18.902 -12.720 922 HG3 LYS 112 HG3 LYS 112 5.810 -18.578 -11.829 923 HD2 LYS 112 HD2 LYS 112 4.935 -20.125 -13.213 924 HD3 LYS 112 HD3 LYS 112 4.854 -18.782 -14.355 925 HE2 LYS 112 HE2 LYS 112 6.174 -19.918 -15.731 926 HE3 LYS 112 HE3 LYS 112 7.462 -19.827 -14.531 927 HZ1 LYS 112 HZ1 LYS 112 5.404 -21.901 -14.246 928 HZ2 LYS 112 HZ2 LYS 112 7.028 -21.925 -13.772 929 HZ3 LYS 112 HZ3 LYS 112 6.621 -22.117 -15.402 930 H LEU 113 H LEU 113 9.210 -14.698 -11.850 931 HA LEU 113 HA LEU 113 8.946 -12.729 -13.839 932 HB2 LEU 113 HB2 LEU 113 11.113 -13.532 -11.946 933 HB3 LEU 113 HB3 LEU 113 11.481 -12.389 -13.224 934 HG LEU 113 HG LEU 113 10.917 -11.309 -11.066 935 HD11 LEU 113 HD11 LEU 113 8.695 -10.552 -12.876 936 HD12 LEU 113 HD12 LEU 113 10.337 -10.461 -13.513 937 HD13 LEU 113 HD13 LEU 113 9.899 -9.545 -12.071 938 HD21 LEU 113 HD21 LEU 113 8.660 -11.339 -10.232 939 HD22 LEU 113 HD22 LEU 113 9.254 -12.996 -10.345 940 HD23 LEU 113 HD23 LEU 113 8.141 -12.374 -11.563 941 H SER 114 H SER 114 8.666 -13.944 -15.787 942 HA SER 114 HA SER 114 10.480 -15.780 -16.837 943 HB2 SER 114 HB2 SER 114 8.359 -15.591 -17.894 944 HB3 SER 114 HB3 SER 114 8.571 -13.863 -18.175 945 HG SER 114 HG SER 114 8.938 -15.190 -20.050 946 H LEU 115 H LEU 115 12.006 -15.506 -18.617 947 HA LEU 115 HA LEU 115 13.980 -13.620 -18.071 948 HB2 LEU 115 HB2 LEU 115 13.544 -15.112 -20.654 949 HB3 LEU 115 HB3 LEU 115 15.044 -14.437 -20.070 950 HG LEU 115 HG LEU 115 13.582 -16.657 -18.662 951 HD11 LEU 115 HD11 LEU 115 15.311 -18.137 -19.628 952 HD12 LEU 115 HD12 LEU 115 15.841 -16.800 -20.650 953 HD13 LEU 115 HD13 LEU 115 14.217 -17.464 -20.837 954 HD21 LEU 115 HD21 LEU 115 15.443 -15.008 -17.645 955 HD22 LEU 115 HD22 LEU 115 16.486 -16.231 -18.371 956 HD23 LEU 115 HD23 LEU 115 15.279 -16.699 -17.174 957 H GLU 116 H GLU 116 11.523 -13.715 -20.632 958 HA GLU 116 HA GLU 116 11.645 -10.824 -20.849 959 HB2 GLU 116 HB2 GLU 116 13.229 -12.226 -22.557 960 HB3 GLU 116 HB3 GLU 116 11.737 -12.152 -23.484 961 HG2 GLU 116 HG2 GLU 116 12.757 -9.649 -22.255 962 HG3 GLU 116 HG3 GLU 116 13.581 -10.288 -23.677 Start of MODEL 21 1 H1 HIS 1 H1 HIS 1 12.110 -6.699 -6.311 2 H2 HIS 1 H2 HIS 1 11.661 -8.194 -5.596 3 H3 HIS 1 H3 HIS 1 13.287 -7.652 -5.509 4 HA HIS 1 HA HIS 1 12.340 -7.276 -3.439 5 HB2 HIS 1 HB2 HIS 1 12.565 -4.841 -3.298 6 HB3 HIS 1 HB3 HIS 1 13.787 -5.512 -4.373 7 HD1 HIS 1 HD1 HIS 1 10.871 -3.226 -4.294 8 HD2 HIS 1 HD2 HIS 1 13.409 -4.905 -7.124 9 HE1 HIS 1 HE1 HIS 1 10.475 -1.924 -6.409 10 HE2 HIS 1 HE2 HIS 1 11.967 -3.006 -8.127 11 H SER 2 H SER 2 10.346 -5.816 -5.990 12 HA SER 2 HA SER 2 7.912 -6.627 -4.827 13 HB2 SER 2 HB2 SER 2 8.938 -3.947 -4.059 14 HB3 SER 2 HB3 SER 2 7.233 -4.046 -4.499 15 HG SER 2 HG SER 2 8.568 -5.085 -2.308 16 H VAL 3 H VAL 3 6.971 -7.101 -6.708 17 HA VAL 3 HA VAL 3 6.971 -5.045 -8.822 18 HB VAL 3 HB VAL 3 6.525 -6.960 -10.401 19 HG11 VAL 3 HG11 VAL 3 9.125 -6.791 -8.894 20 HG12 VAL 3 HG12 VAL 3 8.690 -5.995 -10.406 21 HG13 VAL 3 HG13 VAL 3 8.923 -7.743 -10.365 22 HG21 VAL 3 HG21 VAL 3 6.418 -9.094 -9.723 23 HG22 VAL 3 HG22 VAL 3 6.130 -8.416 -8.121 24 HG23 VAL 3 HG23 VAL 3 7.758 -8.903 -8.594 25 HA PRO 4 HA PRO 4 2.592 -5.308 -7.410 26 HB2 PRO 4 HB2 PRO 4 2.520 -2.630 -8.641 27 HB3 PRO 4 HB3 PRO 4 2.048 -3.131 -7.015 28 HG2 PRO 4 HG2 PRO 4 4.264 -1.680 -7.459 29 HG3 PRO 4 HG3 PRO 4 4.186 -2.905 -6.180 30 HD2 PRO 4 HD2 PRO 4 5.460 -3.063 -8.882 31 HD3 PRO 4 HD3 PRO 4 6.039 -3.689 -7.324 32 H GLU 5 H GLU 5 1.084 -6.220 -8.663 33 HA GLU 5 HA GLU 5 1.283 -5.858 -11.559 34 HB2 GLU 5 HB2 GLU 5 -0.548 -7.868 -11.191 35 HB3 GLU 5 HB3 GLU 5 1.158 -8.092 -11.530 36 HG2 GLU 5 HG2 GLU 5 1.662 -8.452 -9.252 37 HG3 GLU 5 HG3 GLU 5 0.070 -7.894 -8.739 38 H SER 6 H SER 6 -1.130 -6.032 -9.004 39 HA SER 6 HA SER 6 -2.622 -3.846 -10.017 40 HB2 SER 6 HB2 SER 6 -3.154 -6.219 -11.355 41 HB3 SER 6 HB3 SER 6 -4.452 -6.115 -10.166 42 HG SER 6 HG SER 6 -4.026 -4.635 -12.416 43 H ILE 7 H ILE 7 -4.647 -3.485 -8.774 44 HA ILE 7 HA ILE 7 -4.724 -4.945 -6.230 45 HB ILE 7 HB ILE 7 -4.785 -1.931 -6.410 46 HG12 ILE 7 HG12 ILE 7 -2.619 -3.575 -5.120 47 HG13 ILE 7 HG13 ILE 7 -2.538 -3.131 -6.821 48 HG21 ILE 7 HG21 ILE 7 -4.798 -3.794 -4.041 49 HG22 ILE 7 HG22 ILE 7 -6.136 -2.789 -4.594 50 HG23 ILE 7 HG23 ILE 7 -4.676 -2.037 -3.954 51 HD11 ILE 7 HD11 ILE 7 -2.891 -1.091 -4.653 52 HD12 ILE 7 HD12 ILE 7 -2.384 -0.845 -6.324 53 HD13 ILE 7 HD13 ILE 7 -1.305 -1.650 -5.184 54 H ARG 8 H ARG 8 -6.574 -5.827 -7.554 55 HA ARG 8 HA ARG 8 -8.879 -4.090 -7.813 56 HB2 ARG 8 HB2 ARG 8 -8.189 -6.029 -9.392 57 HB3 ARG 8 HB3 ARG 8 -8.924 -7.071 -8.181 58 HG2 ARG 8 HG2 ARG 8 -11.025 -6.436 -8.708 59 HG3 ARG 8 HG3 ARG 8 -10.547 -4.782 -9.096 60 HD2 ARG 8 HD2 ARG 8 -10.614 -5.292 -11.255 61 HD3 ARG 8 HD3 ARG 8 -9.323 -6.465 -11.003 62 HE ARG 8 HE ARG 8 -10.869 -8.098 -11.323 63 HH11 ARG 8 HH11 ARG 8 -12.535 -5.250 -10.189 64 HH12 ARG 8 HH12 ARG 8 -14.106 -5.971 -10.301 65 HH21 ARG 8 HH21 ARG 8 -12.933 -9.049 -11.471 66 HH22 ARG 8 HH22 ARG 8 -14.332 -8.128 -11.028 67 H PHE 9 H PHE 9 -10.105 -3.644 -6.113 68 HA PHE 9 HA PHE 9 -10.683 -5.797 -4.195 69 HB2 PHE 9 HB2 PHE 9 -8.992 -4.214 -3.273 70 HB3 PHE 9 HB3 PHE 9 -10.166 -2.914 -3.442 71 HD1 PHE 9 HD1 PHE 9 -12.480 -3.369 -2.265 72 HD2 PHE 9 HD2 PHE 9 -8.819 -5.292 -1.260 73 HE1 PHE 9 HE1 PHE 9 -13.373 -3.893 -0.034 74 HE2 PHE 9 HE2 PHE 9 -9.703 -5.818 0.974 75 HZ PHE 9 HZ PHE 9 -11.984 -5.118 1.590 76 H GLY 10 H GLY 10 -12.755 -6.229 -4.686 77 HA2 GLY 10 HA2 GLY 10 -15.023 -5.942 -4.880 78 HA3 GLY 10 HA3 GLY 10 -14.814 -4.503 -3.894 79 HA PRO 11 HA PRO 11 -16.586 -3.027 -7.894 80 HB2 PRO 11 HB2 PRO 11 -17.124 -0.722 -6.097 81 HB3 PRO 11 HB3 PRO 11 -18.201 -1.539 -7.235 82 HG2 PRO 11 HG2 PRO 11 -18.454 -1.913 -4.608 83 HG3 PRO 11 HG3 PRO 11 -18.690 -3.250 -5.749 84 HD2 PRO 11 HD2 PRO 11 -16.352 -2.649 -3.986 85 HD3 PRO 11 HD3 PRO 11 -17.069 -4.216 -4.417 86 H ASN 12 H ASN 12 -14.256 -1.725 -5.664 87 HA ASN 12 HA ASN 12 -13.405 0.316 -7.573 88 HB2 ASN 12 HB2 ASN 12 -12.476 -0.280 -4.757 89 HB3 ASN 12 HB3 ASN 12 -11.866 1.033 -5.758 90 HD21 ASN 12 HD21 ASN 12 -13.932 2.195 -6.846 91 HD22 ASN 12 HD22 ASN 12 -15.064 2.761 -5.671 92 H VAL 13 H VAL 13 -11.405 0.365 -8.537 93 HA VAL 13 HA VAL 13 -9.705 -2.018 -8.213 94 HB VAL 13 HB VAL 13 -10.215 -0.670 -10.865 95 HG11 VAL 13 HG11 VAL 13 -8.508 -2.882 -9.915 96 HG12 VAL 13 HG12 VAL 13 -8.268 -1.752 -11.247 97 HG13 VAL 13 HG13 VAL 13 -9.338 -3.139 -11.449 98 HG21 VAL 13 HG21 VAL 13 -11.495 -3.124 -9.678 99 HG22 VAL 13 HG22 VAL 13 -11.525 -2.743 -11.400 100 HG23 VAL 13 HG23 VAL 13 -12.292 -1.655 -10.242 101 H PHE 14 H PHE 14 -7.502 -1.661 -8.276 102 HA PHE 14 HA PHE 14 -6.643 1.129 -8.668 103 HB2 PHE 14 HB2 PHE 14 -6.270 -0.654 -6.347 104 HB3 PHE 14 HB3 PHE 14 -4.829 0.217 -6.860 105 HD1 PHE 14 HD1 PHE 14 -8.399 0.731 -5.964 106 HD2 PHE 14 HD2 PHE 14 -4.494 2.407 -6.184 107 HE1 PHE 14 HE1 PHE 14 -9.195 2.731 -4.772 108 HE2 PHE 14 HE2 PHE 14 -5.282 4.410 -4.992 109 HZ PHE 14 HZ PHE 14 -7.635 4.574 -4.285 110 H TYR 15 H TYR 15 -5.255 1.296 -10.278 111 HA TYR 15 HA TYR 15 -3.733 -1.055 -11.121 112 HB2 TYR 15 HB2 TYR 15 -4.356 1.580 -12.453 113 HB3 TYR 15 HB3 TYR 15 -3.192 0.439 -13.118 114 HD1 TYR 15 HD1 TYR 15 -4.145 -2.055 -13.306 115 HD2 TYR 15 HD2 TYR 15 -6.515 1.478 -13.248 116 HE1 TYR 15 HE1 TYR 15 -5.968 -3.267 -14.428 117 HE2 TYR 15 HE2 TYR 15 -8.344 0.276 -14.369 118 HH TYR 15 HH TYR 15 -7.975 -2.593 -15.931 119 H VAL 16 H VAL 16 -1.700 -1.291 -10.498 120 HA VAL 16 HA VAL 16 -0.286 0.665 -9.035 121 HB VAL 16 HB VAL 16 1.703 -0.879 -9.425 122 HG11 VAL 16 HG11 VAL 16 0.851 -1.338 -7.391 123 HG12 VAL 16 HG12 VAL 16 0.285 -2.810 -8.179 124 HG13 VAL 16 HG13 VAL 16 -0.805 -1.436 -7.989 125 HG21 VAL 16 HG21 VAL 16 0.058 -1.871 -11.451 126 HG22 VAL 16 HG22 VAL 16 0.065 -3.121 -10.207 127 HG23 VAL 16 HG23 VAL 16 1.586 -2.549 -10.891 128 H LEU 17 H LEU 17 -0.698 0.254 -12.393 129 HA LEU 17 HA LEU 17 1.734 1.786 -12.990 130 HB2 LEU 17 HB2 LEU 17 -0.124 0.322 -14.865 131 HB3 LEU 17 HB3 LEU 17 1.362 1.134 -15.322 132 HG LEU 17 HG LEU 17 1.657 -0.932 -13.238 133 HD11 LEU 17 HD11 LEU 17 0.444 -1.508 -15.868 134 HD12 LEU 17 HD12 LEU 17 0.320 -2.382 -14.342 135 HD13 LEU 17 HD13 LEU 17 1.754 -2.568 -15.351 136 HD21 LEU 17 HD21 LEU 17 3.750 -1.073 -14.063 137 HD22 LEU 17 HD22 LEU 17 3.357 0.498 -14.761 138 HD23 LEU 17 HD23 LEU 17 3.213 -0.962 -15.739 139 H LYS 18 H LYS 18 -1.764 1.758 -13.565 140 HA LYS 18 HA LYS 18 -1.696 4.345 -14.846 141 HB2 LYS 18 HB2 LYS 18 -3.805 2.331 -14.213 142 HB3 LYS 18 HB3 LYS 18 -4.298 3.990 -14.522 143 HG2 LYS 18 HG2 LYS 18 -2.803 3.729 -16.647 144 HG3 LYS 18 HG3 LYS 18 -3.057 2.006 -16.364 145 HD2 LYS 18 HD2 LYS 18 -5.216 2.096 -16.995 146 HD3 LYS 18 HD3 LYS 18 -5.486 3.647 -16.197 147 HE2 LYS 18 HE2 LYS 18 -5.756 4.059 -18.503 148 HE3 LYS 18 HE3 LYS 18 -4.165 4.693 -18.088 149 HZ1 LYS 18 HZ1 LYS 18 -4.821 2.764 -20.012 150 HZ2 LYS 18 HZ2 LYS 18 -3.859 2.018 -18.838 151 HZ3 LYS 18 HZ3 LYS 18 -3.297 3.398 -19.639 152 H LEU 19 H LEU 19 -2.521 3.031 -11.695 153 HA LEU 19 HA LEU 19 -2.883 4.016 -9.679 154 HB2 LEU 19 HB2 LEU 19 -1.850 6.521 -11.008 155 HB3 LEU 19 HB3 LEU 19 -1.992 6.246 -9.283 156 HG LEU 19 HG LEU 19 -0.272 4.444 -10.947 157 HD11 LEU 19 HD11 LEU 19 1.036 6.720 -9.612 158 HD12 LEU 19 HD12 LEU 19 0.146 7.096 -11.088 159 HD13 LEU 19 HD13 LEU 19 1.440 5.898 -11.119 160 HD21 LEU 19 HD21 LEU 19 0.497 5.311 -8.246 161 HD22 LEU 19 HD22 LEU 19 0.514 3.705 -8.974 162 HD23 LEU 19 HD23 LEU 19 -0.991 4.369 -8.339 163 H THR 20 H THR 20 -5.055 3.781 -11.379 164 HA THR 20 HA THR 20 -6.603 6.203 -10.728 165 HB THR 20 HB THR 20 -7.122 4.328 -13.040 166 HG1 THR 20 HG1 THR 20 -5.192 5.513 -13.343 167 HG21 THR 20 HG21 THR 20 -9.085 5.593 -12.233 168 HG22 THR 20 HG22 THR 20 -8.601 6.009 -13.877 169 HG23 THR 20 HG23 THR 20 -8.202 7.088 -12.540 170 H VAL 21 H VAL 21 -8.651 5.934 -9.870 171 HA VAL 21 HA VAL 21 -9.213 3.233 -8.863 172 HB VAL 21 HB VAL 21 -10.444 5.806 -7.883 173 HG11 VAL 21 HG11 VAL 21 -10.628 2.966 -7.153 174 HG12 VAL 21 HG12 VAL 21 -11.778 4.281 -6.905 175 HG13 VAL 21 HG13 VAL 21 -10.421 4.075 -5.797 176 HG21 VAL 21 HG21 VAL 21 -8.215 6.192 -7.391 177 HG22 VAL 21 HG22 VAL 21 -7.866 4.480 -7.148 178 HG23 VAL 21 HG23 VAL 21 -8.780 5.375 -5.934 179 H GLU 22 H GLU 22 -10.655 2.129 -10.001 180 HA GLU 22 HA GLU 22 -12.566 3.434 -11.711 181 HB2 GLU 22 HB2 GLU 22 -12.038 0.538 -11.049 182 HB3 GLU 22 HB3 GLU 22 -13.324 1.048 -12.134 183 HG2 GLU 22 HG2 GLU 22 -11.536 2.228 -13.479 184 HG3 GLU 22 HG3 GLU 22 -10.362 1.351 -12.498 185 H THR 23 H THR 23 -13.654 4.619 -9.974 186 HA THR 23 HA THR 23 -15.198 3.170 -8.044 187 HB THR 23 HB THR 23 -16.274 5.526 -7.774 188 HG1 THR 23 HG1 THR 23 -15.572 6.984 -9.083 189 HG21 THR 23 HG21 THR 23 -13.603 6.143 -7.090 190 HG22 THR 23 HG22 THR 23 -13.861 4.426 -6.785 191 HG23 THR 23 HG23 THR 23 -14.919 5.623 -6.038 192 HA PRO 24 HA PRO 24 -18.589 1.905 -10.650 193 HB2 PRO 24 HB2 PRO 24 -20.055 2.506 -8.113 194 HB3 PRO 24 HB3 PRO 24 -20.179 1.099 -9.173 195 HG2 PRO 24 HG2 PRO 24 -18.816 0.982 -6.887 196 HG3 PRO 24 HG3 PRO 24 -18.255 0.134 -8.339 197 HD2 PRO 24 HD2 PRO 24 -17.179 2.571 -7.044 198 HD3 PRO 24 HD3 PRO 24 -16.363 1.361 -8.046 199 H GLU 25 H GLU 25 -18.664 4.808 -8.654 200 HA GLU 25 HA GLU 25 -20.900 5.955 -10.067 201 HB2 GLU 25 HB2 GLU 25 -19.303 6.598 -7.711 202 HB3 GLU 25 HB3 GLU 25 -19.669 8.018 -8.681 203 HG2 GLU 25 HG2 GLU 25 -22.094 7.140 -8.637 204 HG3 GLU 25 HG3 GLU 25 -21.541 6.159 -7.280 205 H GLY 26 H GLY 26 -17.389 6.417 -9.983 206 HA2 GLY 26 HA2 GLY 26 -17.398 7.385 -12.689 207 HA3 GLY 26 HA3 GLY 26 -17.051 8.649 -11.519 208 H SER 27 H SER 27 -14.978 8.975 -11.085 209 HA SER 27 HA SER 27 -13.131 6.774 -10.836 210 HB2 SER 27 HB2 SER 27 -13.375 7.737 -13.364 211 HB3 SER 27 HB3 SER 27 -12.113 8.797 -12.737 212 HG SER 27 HG SER 27 -11.099 6.748 -12.009 213 H VAL 28 H VAL 28 -11.190 7.348 -9.795 214 HA VAL 28 HA VAL 28 -11.046 10.121 -8.818 215 HB VAL 28 HB VAL 28 -10.519 7.684 -7.113 216 HG11 VAL 28 HG11 VAL 28 -10.811 10.549 -6.245 217 HG12 VAL 28 HG12 VAL 28 -9.254 9.814 -6.628 218 HG13 VAL 28 HG13 VAL 28 -10.227 9.178 -5.302 219 HG21 VAL 28 HG21 VAL 28 -12.784 9.529 -6.571 220 HG22 VAL 28 HG22 VAL 28 -12.614 7.810 -6.217 221 HG23 VAL 28 HG23 VAL 28 -12.973 8.340 -7.859 222 H HIS 29 H HIS 29 -9.044 11.007 -8.714 223 HA HIS 29 HA HIS 29 -6.818 9.344 -9.672 224 HB2 HIS 29 HB2 HIS 29 -5.758 11.650 -10.111 225 HB3 HIS 29 HB3 HIS 29 -7.076 11.141 -11.161 226 HD1 HIS 29 HD1 HIS 29 -9.473 12.224 -10.576 227 HD2 HIS 29 HD2 HIS 29 -6.157 14.034 -8.845 228 HE1 HIS 29 HE1 HIS 29 -10.259 14.492 -9.827 229 HE2 HIS 29 HE2 HIS 29 -8.256 15.539 -8.715 230 H LEU 30 H LEU 30 -4.610 10.132 -8.851 231 HA LEU 30 HA LEU 30 -4.495 11.338 -6.266 232 HB2 LEU 30 HB2 LEU 30 -3.494 9.212 -5.215 233 HB3 LEU 30 HB3 LEU 30 -5.239 9.352 -5.326 234 HG LEU 30 HG LEU 30 -5.255 7.889 -7.285 235 HD11 LEU 30 HD11 LEU 30 -3.323 8.096 -8.469 236 HD12 LEU 30 HD12 LEU 30 -2.942 6.632 -7.563 237 HD13 LEU 30 HD13 LEU 30 -2.315 8.190 -7.026 238 HD21 LEU 30 HD21 LEU 30 -3.848 6.878 -4.829 239 HD22 LEU 30 HD22 LEU 30 -4.359 5.812 -6.138 240 HD23 LEU 30 HD23 LEU 30 -5.557 6.750 -5.245 241 H THR 31 H THR 31 -2.286 11.399 -5.401 242 HA THR 31 HA THR 31 -0.377 11.775 -7.502 243 HB THR 31 HB THR 31 0.390 11.768 -4.608 244 HG1 THR 31 HG1 THR 31 -1.099 13.833 -5.852 245 HG21 THR 31 HG21 THR 31 2.133 12.388 -6.106 246 HG22 THR 31 HG22 THR 31 1.578 13.842 -5.276 247 HG23 THR 31 HG23 THR 31 1.082 13.532 -6.940 248 HA PRO 32 HA PRO 32 1.352 7.707 -7.467 249 HB2 PRO 32 HB2 PRO 32 3.809 8.242 -8.512 250 HB3 PRO 32 HB3 PRO 32 2.334 8.190 -9.483 251 HG2 PRO 32 HG2 PRO 32 3.783 10.556 -8.364 252 HG3 PRO 32 HG3 PRO 32 3.052 10.345 -9.966 253 HD2 PRO 32 HD2 PRO 32 1.836 11.733 -7.989 254 HD3 PRO 32 HD3 PRO 32 0.926 10.801 -9.195 255 H SER 33 H SER 33 2.993 10.357 -5.927 256 HA SER 33 HA SER 33 4.876 8.682 -4.542 257 HB2 SER 33 HB2 SER 33 5.281 11.118 -5.139 258 HB3 SER 33 HB3 SER 33 4.149 11.533 -3.852 259 HG SER 33 HG SER 33 5.525 10.582 -2.369 260 H GLU 34 H GLU 34 1.752 10.056 -3.934 261 HA GLU 34 HA GLU 34 1.765 9.199 -1.166 262 HB2 GLU 34 HB2 GLU 34 0.020 10.870 -2.867 263 HB3 GLU 34 HB3 GLU 34 -0.814 9.923 -1.643 264 HG2 GLU 34 HG2 GLU 34 -0.150 11.269 -0.007 265 HG3 GLU 34 HG3 GLU 34 1.519 11.268 -0.576 266 H SER 35 H SER 35 0.353 8.327 -4.230 267 HA SER 35 HA SER 35 -1.161 6.145 -3.139 268 HB2 SER 35 HB2 SER 35 -1.950 5.794 -5.283 269 HB3 SER 35 HB3 SER 35 -1.497 7.493 -5.395 270 HG SER 35 HG SER 35 -0.396 6.770 -7.053 271 H GLY 36 H GLY 36 2.088 6.732 -3.963 272 HA2 GLY 36 HA2 GLY 36 2.863 4.102 -4.700 273 HA3 GLY 36 HA3 GLY 36 3.934 5.380 -4.149 274 H ILE 37 H ILE 37 2.510 5.793 -1.660 275 HA ILE 37 HA ILE 37 3.891 3.925 -0.049 276 HB ILE 37 HB ILE 37 1.623 5.782 0.677 277 HG12 ILE 37 HG12 ILE 37 3.979 6.645 1.882 278 HG13 ILE 37 HG13 ILE 37 4.485 6.132 0.275 279 HG21 ILE 37 HG21 ILE 37 3.089 3.782 2.263 280 HG22 ILE 37 HG22 ILE 37 1.488 4.479 2.509 281 HG23 ILE 37 HG23 ILE 37 2.924 5.373 3.006 282 HD11 ILE 37 HD11 ILE 37 2.484 7.551 -0.532 283 HD12 ILE 37 HD12 ILE 37 3.979 8.349 -0.040 284 HD13 ILE 37 HD13 ILE 37 2.602 8.301 1.060 285 H LEU 38 H LEU 38 0.545 4.198 -1.029 286 HA LEU 38 HA LEU 38 -0.344 1.904 0.414 287 HB2 LEU 38 HB2 LEU 38 -2.063 3.395 -0.080 288 HB3 LEU 38 HB3 LEU 38 -1.503 3.653 -1.721 289 HG LEU 38 HG LEU 38 -2.400 0.907 -1.185 290 HD11 LEU 38 HD11 LEU 38 -3.931 2.627 0.118 291 HD12 LEU 38 HD12 LEU 38 -4.601 1.248 -0.751 292 HD13 LEU 38 HD13 LEU 38 -4.617 2.849 -1.491 293 HD21 LEU 38 HD21 LEU 38 -1.876 2.387 -3.387 294 HD22 LEU 38 HD22 LEU 38 -3.629 2.558 -3.284 295 HD23 LEU 38 HD23 LEU 38 -2.903 0.953 -3.377 296 H LYS 39 H LYS 39 1.263 2.446 -2.565 297 HA LYS 39 HA LYS 39 0.509 0.006 -3.829 298 HB2 LYS 39 HB2 LYS 39 1.674 2.327 -4.690 299 HB3 LYS 39 HB3 LYS 39 3.039 1.219 -4.684 300 HG2 LYS 39 HG2 LYS 39 2.351 0.263 -6.558 301 HG3 LYS 39 HG3 LYS 39 0.751 -0.038 -5.879 302 HD2 LYS 39 HD2 LYS 39 1.355 2.743 -6.698 303 HD3 LYS 39 HD3 LYS 39 1.164 1.556 -7.990 304 HE2 LYS 39 HE2 LYS 39 -1.018 2.095 -7.787 305 HE3 LYS 39 HE3 LYS 39 -0.961 0.929 -6.466 306 HZ1 LYS 39 HZ1 LYS 39 -1.097 3.853 -6.362 307 HZ2 LYS 39 HZ2 LYS 39 -0.275 3.051 -5.120 308 HZ3 LYS 39 HZ3 LYS 39 -1.902 2.701 -5.419 309 H ARG 40 H ARG 40 3.229 1.061 -1.870 310 HA ARG 40 HA ARG 40 4.599 -1.457 -2.215 311 HB2 ARG 40 HB2 ARG 40 5.472 1.022 -1.534 312 HB3 ARG 40 HB3 ARG 40 5.384 0.265 0.051 313 HG2 ARG 40 HG2 ARG 40 7.234 -0.908 -0.313 314 HG3 ARG 40 HG3 ARG 40 6.643 -1.482 -1.872 315 HD2 ARG 40 HD2 ARG 40 7.389 1.313 -1.979 316 HD3 ARG 40 HD3 ARG 40 8.727 0.305 -1.429 317 HE ARG 40 HE ARG 40 7.737 -1.010 -3.603 318 HH11 ARG 40 HH11 ARG 40 8.923 2.220 -3.026 319 HH12 ARG 40 HH12 ARG 40 9.510 2.427 -4.642 320 HH21 ARG 40 HH21 ARG 40 8.507 -0.738 -5.729 321 HH22 ARG 40 HH22 ARG 40 9.273 0.750 -6.176 322 H LEU 41 H LEU 41 2.230 -0.177 -0.092 323 HA LEU 41 HA LEU 41 2.689 -2.176 1.950 324 HB2 LEU 41 HB2 LEU 41 1.475 0.326 1.917 325 HB3 LEU 41 HB3 LEU 41 0.137 -0.793 2.089 326 HG LEU 41 HG LEU 41 1.230 -1.779 4.070 327 HD11 LEU 41 HD11 LEU 41 3.520 -1.433 3.722 328 HD12 LEU 41 HD12 LEU 41 3.105 -0.377 5.071 329 HD13 LEU 41 HD13 LEU 41 3.307 0.297 3.454 330 HD21 LEU 41 HD21 LEU 41 0.477 1.095 3.932 331 HD22 LEU 41 HD22 LEU 41 1.146 0.469 5.440 332 HD23 LEU 41 HD23 LEU 41 -0.316 -0.244 4.760 333 H LEU 42 H LEU 42 0.841 -1.783 -0.922 334 HA LEU 42 HA LEU 42 -1.145 -3.749 -0.321 335 HB2 LEU 42 HB2 LEU 42 -0.735 -1.871 -2.346 336 HB3 LEU 42 HB3 LEU 42 -0.606 -3.420 -3.153 337 HG LEU 42 HG LEU 42 -2.891 -2.473 -3.217 338 HD11 LEU 42 HD11 LEU 42 -3.040 -4.718 -3.537 339 HD12 LEU 42 HD12 LEU 42 -3.935 -4.596 -2.023 340 HD13 LEU 42 HD13 LEU 42 -2.246 -5.103 -2.010 341 HD21 LEU 42 HD21 LEU 42 -3.622 -3.151 -0.508 342 HD22 LEU 42 HD22 LEU 42 -3.916 -1.668 -1.415 343 HD23 LEU 42 HD23 LEU 42 -2.401 -1.878 -0.537 344 H ILE 43 H ILE 43 2.094 -3.770 -1.541 345 HA ILE 43 HA ILE 43 2.091 -6.287 -2.805 346 HB ILE 43 HB ILE 43 4.469 -5.221 -1.299 347 HG12 ILE 43 HG12 ILE 43 3.662 -3.307 -2.516 348 HG13 ILE 43 HG13 ILE 43 5.034 -3.964 -3.400 349 HG21 ILE 43 HG21 ILE 43 4.769 -7.395 -2.259 350 HG22 ILE 43 HG22 ILE 43 5.674 -6.232 -3.228 351 HG23 ILE 43 HG23 ILE 43 4.129 -6.851 -3.810 352 HD11 ILE 43 HD11 ILE 43 2.917 -3.232 -4.682 353 HD12 ILE 43 HD12 ILE 43 2.259 -4.774 -4.138 354 HD13 ILE 43 HD13 ILE 43 3.719 -4.738 -5.126 355 H ASN 44 H ASN 44 2.340 -5.304 0.547 356 HA ASN 44 HA ASN 44 2.949 -7.987 1.455 357 HB2 ASN 44 HB2 ASN 44 2.727 -5.307 2.714 358 HB3 ASN 44 HB3 ASN 44 2.393 -6.701 3.737 359 HD21 ASN 44 HD21 ASN 44 4.785 -5.358 1.516 360 HD22 ASN 44 HD22 ASN 44 6.161 -6.056 2.294 361 H LYS 45 H LYS 45 0.354 -5.663 1.953 362 HA LYS 45 HA LYS 45 -1.833 -5.889 2.549 363 HB2 LYS 45 HB2 LYS 45 -1.314 -7.407 0.227 364 HB3 LYS 45 HB3 LYS 45 -2.415 -8.361 1.209 365 HG2 LYS 45 HG2 LYS 45 -3.551 -5.893 1.359 366 HG3 LYS 45 HG3 LYS 45 -2.877 -5.884 -0.272 367 HD2 LYS 45 HD2 LYS 45 -4.068 -8.404 0.055 368 HD3 LYS 45 HD3 LYS 45 -5.207 -7.241 0.736 369 HE2 LYS 45 HE2 LYS 45 -3.942 -6.686 -1.910 370 HE3 LYS 45 HE3 LYS 45 -5.275 -7.836 -1.812 371 HZ1 LYS 45 HZ1 LYS 45 -5.767 -5.353 -2.242 372 HZ2 LYS 45 HZ2 LYS 45 -5.540 -5.179 -0.575 373 HZ3 LYS 45 HZ3 LYS 45 -6.746 -6.210 -1.160 374 H GLY 46 H GLY 46 -1.495 -6.311 4.758 375 HA2 GLY 46 HA2 GLY 46 -2.317 -7.541 6.581 376 HA3 GLY 46 HA3 GLY 46 -2.406 -8.962 5.553 377 H GLN 47 H GLN 47 0.316 -6.793 6.246 378 HA GLN 47 HA GLN 47 1.704 -9.062 7.502 379 HB2 GLN 47 HB2 GLN 47 2.977 -7.080 5.607 380 HB3 GLN 47 HB3 GLN 47 3.772 -8.441 6.386 381 HG2 GLN 47 HG2 GLN 47 1.407 -8.922 4.636 382 HG3 GLN 47 HG3 GLN 47 2.985 -8.615 3.914 383 HE21 GLN 47 HE21 GLN 47 0.939 -10.956 5.029 384 HE22 GLN 47 HE22 GLN 47 2.074 -12.239 5.252 385 H LEU 48 H LEU 48 2.756 -8.611 9.351 386 HA LEU 48 HA LEU 48 2.304 -6.112 10.623 387 HB2 LEU 48 HB2 LEU 48 2.964 -8.677 11.437 388 HB3 LEU 48 HB3 LEU 48 4.396 -7.743 11.827 389 HG LEU 48 HG LEU 48 2.472 -6.123 12.837 390 HD11 LEU 48 HD11 LEU 48 1.261 -8.745 12.496 391 HD12 LEU 48 HD12 LEU 48 0.520 -7.196 12.896 392 HD13 LEU 48 HD13 LEU 48 1.232 -8.187 14.169 393 HD21 LEU 48 HD21 LEU 48 4.333 -6.635 14.143 394 HD22 LEU 48 HD22 LEU 48 4.034 -8.371 14.058 395 HD23 LEU 48 HD23 LEU 48 2.987 -7.342 15.036 396 H CYS 49 H CYS 49 3.269 -4.529 9.334 397 HA CYS 49 HA CYS 49 6.215 -4.542 9.329 398 HB2 CYS 49 HB2 CYS 49 4.211 -3.626 7.330 399 HB3 CYS 49 HB3 CYS 49 5.688 -2.681 7.485 400 HG CYS 49 HG CYS 49 5.479 -5.507 6.314 401 H LEU 50 H LEU 50 6.612 -3.533 11.237 402 HA LEU 50 HA LEU 50 5.321 -1.551 12.549 403 HB2 LEU 50 HB2 LEU 50 8.307 -1.434 12.286 404 HB3 LEU 50 HB3 LEU 50 7.319 -1.027 13.673 405 HG LEU 50 HG LEU 50 8.201 -3.017 14.373 406 HD11 LEU 50 HD11 LEU 50 5.564 -3.102 13.795 407 HD12 LEU 50 HD12 LEU 50 6.437 -4.379 14.642 408 HD13 LEU 50 HD13 LEU 50 6.140 -4.514 12.909 409 HD21 LEU 50 HD21 LEU 50 9.548 -3.993 12.887 410 HD22 LEU 50 HD22 LEU 50 8.560 -3.475 11.521 411 HD23 LEU 50 HD23 LEU 50 8.137 -4.938 12.410 412 H ARG 51 H ARG 51 5.677 0.759 12.765 413 HA ARG 51 HA ARG 51 5.268 2.177 10.431 414 HB2 ARG 51 HB2 ARG 51 5.642 4.195 11.722 415 HB3 ARG 51 HB3 ARG 51 4.740 3.032 12.683 416 HG2 ARG 51 HG2 ARG 51 6.878 2.383 13.782 417 HG3 ARG 51 HG3 ARG 51 7.664 3.703 12.913 418 HD2 ARG 51 HD2 ARG 51 5.359 4.786 14.120 419 HD3 ARG 51 HD3 ARG 51 6.142 3.782 15.339 420 HE ARG 51 HE ARG 51 7.881 5.276 15.417 421 HH11 ARG 51 HH11 ARG 51 5.915 5.955 12.613 422 HH12 ARG 51 HH12 ARG 51 6.716 7.448 12.259 423 HH21 ARG 51 HH21 ARG 51 8.934 7.239 14.951 424 HH22 ARG 51 HH22 ARG 51 8.431 8.177 13.585 425 H LYS 52 H LYS 52 8.253 1.677 12.202 426 HA LYS 52 HA LYS 52 9.922 3.264 10.609 427 HB2 LYS 52 HB2 LYS 52 11.779 2.040 11.586 428 HB3 LYS 52 HB3 LYS 52 10.581 2.402 12.821 429 HG2 LYS 52 HG2 LYS 52 10.302 0.254 13.294 430 HG3 LYS 52 HG3 LYS 52 10.068 -0.159 11.594 431 HD2 LYS 52 HD2 LYS 52 12.602 0.012 11.374 432 HD3 LYS 52 HD3 LYS 52 12.643 0.021 13.138 433 HE2 LYS 52 HE2 LYS 52 10.950 -2.103 12.223 434 HE3 LYS 52 HE3 LYS 52 12.514 -2.203 11.414 435 HZ1 LYS 52 HZ1 LYS 52 12.572 -1.710 14.281 436 HZ2 LYS 52 HZ2 LYS 52 13.574 -2.684 13.329 437 HZ3 LYS 52 HZ3 LYS 52 12.050 -3.247 13.800 438 H HIS 53 H HIS 53 8.443 0.274 9.987 439 HA HIS 53 HA HIS 53 10.318 -0.540 7.952 440 HB2 HIS 53 HB2 HIS 53 8.888 -2.044 9.476 441 HB3 HIS 53 HB3 HIS 53 7.574 -1.654 8.376 442 HD1 HIS 53 HD1 HIS 53 10.412 -3.909 8.795 443 HD2 HIS 53 HD2 HIS 53 8.078 -2.542 5.641 444 HE1 HIS 53 HE1 HIS 53 10.844 -5.503 6.899 445 HE2 HIS 53 HE2 HIS 53 9.349 -4.711 5.033 446 H LEU 54 H LEU 54 7.219 1.020 8.213 447 HA LEU 54 HA LEU 54 6.552 0.953 5.464 448 HB2 LEU 54 HB2 LEU 54 5.644 3.141 7.294 449 HB3 LEU 54 HB3 LEU 54 4.773 2.377 5.978 450 HG LEU 54 HG LEU 54 5.312 1.232 8.714 451 HD11 LEU 54 HD11 LEU 54 3.436 2.436 9.062 452 HD12 LEU 54 HD12 LEU 54 2.667 1.035 8.316 453 HD13 LEU 54 HD13 LEU 54 3.009 2.472 7.351 454 HD21 LEU 54 HD21 LEU 54 3.622 -0.519 7.483 455 HD22 LEU 54 HD22 LEU 54 5.358 -0.756 7.685 456 HD23 LEU 54 HD23 LEU 54 4.728 -0.100 6.174 457 H LEU 55 H LEU 55 8.236 3.235 7.506 458 HA LEU 55 HA LEU 55 8.562 5.228 5.503 459 HB2 LEU 55 HB2 LEU 55 10.533 5.929 7.040 460 HB3 LEU 55 HB3 LEU 55 8.884 6.108 7.600 461 HG LEU 55 HG LEU 55 9.582 3.587 8.502 462 HD11 LEU 55 HD11 LEU 55 11.928 4.153 7.819 463 HD12 LEU 55 HD12 LEU 55 11.695 3.670 9.498 464 HD13 LEU 55 HD13 LEU 55 11.907 5.375 9.092 465 HD21 LEU 55 HD21 LEU 55 8.550 4.599 10.181 466 HD22 LEU 55 HD22 LEU 55 8.982 6.198 9.574 467 HD23 LEU 55 HD23 LEU 55 10.107 5.313 10.603 468 H GLU 56 H GLU 56 9.976 2.179 5.909 469 HA GLU 56 HA GLU 56 12.488 2.847 4.654 470 HB2 GLU 56 HB2 GLU 56 11.247 0.314 5.666 471 HB3 GLU 56 HB3 GLU 56 12.668 0.253 4.633 472 HG2 GLU 56 HG2 GLU 56 13.917 1.585 6.223 473 HG3 GLU 56 HG3 GLU 56 12.488 1.745 7.240 474 H GLU 57 H GLU 57 9.352 1.787 3.663 475 HA GLU 57 HA GLU 57 10.308 0.863 1.084 476 HB2 GLU 57 HB2 GLU 57 7.771 0.698 0.621 477 HB3 GLU 57 HB3 GLU 57 8.489 -0.425 1.765 478 HG2 GLU 57 HG2 GLU 57 7.642 0.822 3.619 479 HG3 GLU 57 HG3 GLU 57 7.093 2.116 2.555 480 H ILE 58 H ILE 58 9.080 3.750 2.482 481 HA ILE 58 HA ILE 58 8.563 4.938 -0.128 482 HB ILE 58 HB ILE 58 8.597 6.709 2.242 483 HG12 ILE 58 HG12 ILE 58 7.549 4.531 3.050 484 HG13 ILE 58 HG13 ILE 58 6.559 5.971 3.202 485 HG21 ILE 58 HG21 ILE 58 7.948 7.396 -0.054 486 HG22 ILE 58 HG22 ILE 58 6.701 7.699 1.156 487 HG23 ILE 58 HG23 ILE 58 6.552 6.321 0.062 488 HD11 ILE 58 HD11 ILE 58 5.917 4.918 0.706 489 HD12 ILE 58 HD12 ILE 58 4.949 4.863 2.179 490 HD13 ILE 58 HD13 ILE 58 6.033 3.531 1.787 491 H LYS 59 H LYS 59 10.970 4.704 2.309 492 HA LYS 59 HA LYS 59 12.546 6.951 1.600 493 HB2 LYS 59 HB2 LYS 59 12.810 5.842 3.759 494 HB3 LYS 59 HB3 LYS 59 13.315 4.361 2.957 495 HG2 LYS 59 HG2 LYS 59 15.250 5.673 2.012 496 HG3 LYS 59 HG3 LYS 59 14.792 6.972 3.115 497 HD2 LYS 59 HD2 LYS 59 16.368 5.847 4.365 498 HD3 LYS 59 HD3 LYS 59 14.877 5.083 4.917 499 HE2 LYS 59 HE2 LYS 59 15.504 3.092 4.134 500 HE3 LYS 59 HE3 LYS 59 15.957 3.770 2.571 501 HZ1 LYS 59 HZ1 LYS 59 17.969 4.630 4.072 502 HZ2 LYS 59 HZ2 LYS 59 17.998 3.154 3.246 503 HZ3 LYS 59 HZ3 LYS 59 17.607 3.194 4.891 504 H ASN 60 H ASN 60 12.273 3.666 0.425 505 HA ASN 60 HA ASN 60 14.560 4.016 -1.327 506 HB2 ASN 60 HB2 ASN 60 13.672 1.823 0.001 507 HB3 ASN 60 HB3 ASN 60 12.917 1.575 -1.571 508 HD21 ASN 60 HD21 ASN 60 16.025 2.348 -0.070 509 HD22 ASN 60 HD22 ASN 60 16.991 1.498 -1.223 510 H HIS 61 H HIS 61 12.431 5.758 -1.815 511 HA HIS 61 HA HIS 61 11.976 5.299 -4.572 512 HB2 HIS 61 HB2 HIS 61 10.259 3.794 -3.413 513 HB3 HIS 61 HB3 HIS 61 9.465 5.280 -2.905 514 HD1 HIS 61 HD1 HIS 61 7.516 5.678 -4.363 515 HD2 HIS 61 HD2 HIS 61 10.741 4.150 -6.492 516 HE1 HIS 61 HE1 HIS 61 6.756 5.583 -6.758 517 HE2 HIS 61 HE2 HIS 61 8.758 4.750 -8.041 518 H ALA 62 H ALA 62 10.316 6.933 -1.865 519 HA ALA 62 HA ALA 62 11.259 9.510 -2.517 520 HB1 ALA 62 HB1 ALA 62 8.373 9.221 -3.264 521 HB2 ALA 62 HB2 ALA 62 9.648 8.949 -4.452 522 HB3 ALA 62 HB3 ALA 62 9.504 10.517 -3.657 523 H LYS 63 H LYS 63 11.531 9.339 -0.226 524 HA LYS 63 HA LYS 63 9.068 9.477 1.350 525 HB2 LYS 63 HB2 LYS 63 10.293 8.837 3.240 526 HB3 LYS 63 HB3 LYS 63 10.992 7.884 1.945 527 HG2 LYS 63 HG2 LYS 63 12.177 10.446 3.001 528 HG3 LYS 63 HG3 LYS 63 12.654 8.832 3.519 529 HD2 LYS 63 HD2 LYS 63 14.196 9.003 1.898 530 HD3 LYS 63 HD3 LYS 63 12.862 8.615 0.813 531 HE2 LYS 63 HE2 LYS 63 12.461 10.964 0.405 532 HE3 LYS 63 HE3 LYS 63 13.694 11.408 1.585 533 HZ1 LYS 63 HZ1 LYS 63 14.412 9.712 -0.710 534 HZ2 LYS 63 HZ2 LYS 63 15.387 10.759 0.191 535 HZ3 LYS 63 HZ3 LYS 63 14.274 11.385 -0.917 536 H ALA 64 H ALA 64 9.953 11.628 -0.319 537 HA ALA 64 HA ALA 64 9.556 13.790 1.446 538 HB1 ALA 64 HB1 ALA 64 12.312 13.805 0.278 539 HB2 ALA 64 HB2 ALA 64 11.986 13.157 1.886 540 HB3 ALA 64 HB3 ALA 64 11.632 14.847 1.527 541 H ILE 65 H ILE 65 10.921 15.773 -0.096 542 HA ILE 65 HA ILE 65 10.443 17.140 -1.850 543 HB ILE 65 HB ILE 65 10.529 14.487 -3.285 544 HG12 ILE 65 HG12 ILE 65 12.588 15.113 -2.076 545 HG13 ILE 65 HG13 ILE 65 12.826 15.079 -3.820 546 HG21 ILE 65 HG21 ILE 65 9.738 15.588 -5.059 547 HG22 ILE 65 HG22 ILE 65 11.308 16.390 -5.110 548 HG23 ILE 65 HG23 ILE 65 9.952 17.159 -4.286 549 HD11 ILE 65 HD11 ILE 65 13.511 17.122 -2.100 550 HD12 ILE 65 HD12 ILE 65 12.046 17.704 -2.891 551 HD13 ILE 65 HD13 ILE 65 13.435 17.210 -3.860 552 H VAL 66 H VAL 66 8.303 15.982 -0.285 553 HA VAL 66 HA VAL 66 6.073 17.027 -1.543 554 HB VAL 66 HB VAL 66 6.347 15.095 -3.053 555 HG11 VAL 66 HG11 VAL 66 7.034 13.697 -0.814 556 HG12 VAL 66 HG12 VAL 66 6.630 12.982 -2.375 557 HG13 VAL 66 HG13 VAL 66 5.396 13.121 -1.122 558 HG21 VAL 66 HG21 VAL 66 3.994 15.848 -1.618 559 HG22 VAL 66 HG22 VAL 66 3.914 14.136 -2.029 560 HG23 VAL 66 HG23 VAL 66 4.156 15.337 -3.298 561 H ALA 67 H ALA 67 7.364 16.855 1.021 562 HA ALA 67 HA ALA 67 5.459 17.093 2.858 563 HB1 ALA 67 HB1 ALA 67 5.613 14.597 3.878 564 HB2 ALA 67 HB2 ALA 67 5.663 14.234 2.154 565 HB3 ALA 67 HB3 ALA 67 4.310 15.145 2.824 566 H ARG 68 H ARG 68 6.197 15.927 5.150 567 HA ARG 68 HA ARG 68 9.064 16.551 5.346 568 HB2 ARG 68 HB2 ARG 68 6.739 17.176 7.052 569 HB3 ARG 68 HB3 ARG 68 8.194 16.694 7.913 570 HG2 ARG 68 HG2 ARG 68 9.247 18.615 7.463 571 HG3 ARG 68 HG3 ARG 68 8.654 18.666 5.802 572 HD2 ARG 68 HD2 ARG 68 6.437 19.084 7.514 573 HD3 ARG 68 HD3 ARG 68 7.744 20.124 8.078 574 HE ARG 68 HE ARG 68 7.526 21.380 6.175 575 HH11 ARG 68 HH11 ARG 68 5.802 18.375 5.756 576 HH12 ARG 68 HH12 ARG 68 5.056 18.866 4.272 577 HH21 ARG 68 HH21 ARG 68 6.544 22.028 4.224 578 HH22 ARG 68 HH22 ARG 68 5.476 20.939 3.403 579 H ASN 69 H ASN 69 6.628 14.190 5.969 580 HA ASN 69 HA ASN 69 8.606 12.173 6.485 581 HB2 ASN 69 HB2 ASN 69 7.220 11.515 8.651 582 HB3 ASN 69 HB3 ASN 69 8.577 12.633 8.737 583 HD21 ASN 69 HD21 ASN 69 5.157 12.904 7.808 584 HD22 ASN 69 HD22 ASN 69 4.809 14.242 8.843 585 H VAL 70 H VAL 70 7.267 10.046 7.212 586 HA VAL 70 HA VAL 70 5.278 9.748 5.116 587 HB VAL 70 HB VAL 70 7.165 8.079 5.492 588 HG11 VAL 70 HG11 VAL 70 5.360 6.973 7.628 589 HG12 VAL 70 HG12 VAL 70 6.753 7.991 7.996 590 HG13 VAL 70 HG13 VAL 70 6.982 6.445 7.179 591 HG21 VAL 70 HG21 VAL 70 4.280 7.300 5.240 592 HG22 VAL 70 HG22 VAL 70 5.574 6.108 5.117 593 HG23 VAL 70 HG23 VAL 70 5.502 7.453 3.977 594 H ASP 71 H ASP 71 5.530 9.555 8.591 595 HA ASP 71 HA ASP 71 3.163 8.404 9.320 596 HB2 ASP 71 HB2 ASP 71 5.141 9.832 10.628 597 HB3 ASP 71 HB3 ASP 71 3.686 10.780 10.921 598 H VAL 72 H VAL 72 3.510 11.910 9.249 599 HA VAL 72 HA VAL 72 0.782 12.480 9.257 600 HB VAL 72 HB VAL 72 2.969 14.172 8.034 601 HG11 VAL 72 HG11 VAL 72 1.152 15.335 7.355 602 HG12 VAL 72 HG12 VAL 72 1.191 15.930 9.014 603 HG13 VAL 72 HG13 VAL 72 0.100 14.616 8.574 604 HG21 VAL 72 HG21 VAL 72 3.084 13.349 10.531 605 HG22 VAL 72 HG22 VAL 72 1.889 14.622 10.774 606 HG23 VAL 72 HG23 VAL 72 3.473 15.016 10.106 607 H HIS 73 H HIS 73 2.846 11.437 6.713 608 HA HIS 73 HA HIS 73 1.188 12.314 4.557 609 HB2 HIS 73 HB2 HIS 73 3.765 11.304 4.765 610 HB3 HIS 73 HB3 HIS 73 2.879 10.013 3.961 611 HD1 HIS 73 HD1 HIS 73 2.105 13.646 3.382 612 HD2 HIS 73 HD2 HIS 73 3.980 10.475 1.461 613 HE1 HIS 73 HE1 HIS 73 2.522 14.436 1.032 614 HE2 HIS 73 HE2 HIS 73 3.571 12.467 -0.138 615 H ILE 74 H ILE 74 1.415 9.495 6.574 616 HA ILE 74 HA ILE 74 -0.154 7.746 5.019 617 HB ILE 74 HB ILE 74 0.323 7.853 7.999 618 HG12 ILE 74 HG12 ILE 74 1.342 5.988 5.844 619 HG13 ILE 74 HG13 ILE 74 2.264 7.289 6.589 620 HG21 ILE 74 HG21 ILE 74 -1.160 5.762 6.410 621 HG22 ILE 74 HG22 ILE 74 -1.817 6.792 7.682 622 HG23 ILE 74 HG23 ILE 74 -0.618 5.560 8.076 623 HD11 ILE 74 HD11 ILE 74 1.263 5.650 8.663 624 HD12 ILE 74 HD12 ILE 74 2.936 5.896 8.161 625 HD13 ILE 74 HD13 ILE 74 1.978 4.604 7.437 626 H ALA 75 H ALA 75 -0.917 10.370 7.156 627 HA ALA 75 HA ALA 75 -3.648 9.785 7.567 628 HB1 ALA 75 HB1 ALA 75 -3.792 11.801 8.654 629 HB2 ALA 75 HB2 ALA 75 -2.687 12.598 7.534 630 HB3 ALA 75 HB3 ALA 75 -2.058 11.497 8.759 631 H SER 76 H SER 76 -2.114 12.154 5.447 632 HA SER 76 HA SER 76 -4.445 12.805 4.007 633 HB2 SER 76 HB2 SER 76 -2.903 13.738 2.302 634 HB3 SER 76 HB3 SER 76 -2.453 14.237 3.933 635 HG SER 76 HG SER 76 -0.897 12.520 3.899 636 H LEU 77 H LEU 77 -2.238 10.174 3.847 637 HA LEU 77 HA LEU 77 -2.797 9.239 1.255 638 HB2 LEU 77 HB2 LEU 77 -1.298 8.386 3.515 639 HB3 LEU 77 HB3 LEU 77 -2.329 7.053 3.038 640 HG LEU 77 HG LEU 77 -0.046 7.024 2.026 641 HD11 LEU 77 HD11 LEU 77 -2.347 6.161 1.011 642 HD12 LEU 77 HD12 LEU 77 -0.814 5.999 0.156 643 HD13 LEU 77 HD13 LEU 77 -1.915 7.315 -0.250 644 HD21 LEU 77 HD21 LEU 77 0.764 8.920 1.201 645 HD22 LEU 77 HD22 LEU 77 -0.810 9.706 1.303 646 HD23 LEU 77 HD23 LEU 77 -0.385 8.768 -0.126 647 H ARG 78 H ARG 78 -4.410 8.988 4.309 648 HA ARG 78 HA ARG 78 -6.150 6.873 3.788 649 HB2 ARG 78 HB2 ARG 78 -5.669 8.352 5.949 650 HB3 ARG 78 HB3 ARG 78 -7.131 9.163 5.405 651 HG2 ARG 78 HG2 ARG 78 -8.295 6.980 5.416 652 HG3 ARG 78 HG3 ARG 78 -6.835 6.245 6.083 653 HD2 ARG 78 HD2 ARG 78 -6.989 7.596 8.060 654 HD3 ARG 78 HD3 ARG 78 -8.319 8.528 7.375 655 HE ARG 78 HE ARG 78 -8.473 5.944 8.627 656 HH11 ARG 78 HH11 ARG 78 -10.013 8.142 6.396 657 HH12 ARG 78 HH12 ARG 78 -11.585 7.444 6.599 658 HH21 ARG 78 HH21 ARG 78 -10.539 5.025 8.895 659 HH22 ARG 78 HH22 ARG 78 -11.884 5.675 8.018 660 H LYS 79 H LYS 79 -6.162 10.127 2.637 661 HA LYS 79 HA LYS 79 -8.941 9.993 1.822 662 HB2 LYS 79 HB2 LYS 79 -7.120 12.077 2.405 663 HB3 LYS 79 HB3 LYS 79 -7.621 12.272 0.731 664 HG2 LYS 79 HG2 LYS 79 -9.702 12.884 1.291 665 HG3 LYS 79 HG3 LYS 79 -9.807 11.705 2.600 666 HD2 LYS 79 HD2 LYS 79 -9.526 13.367 4.051 667 HD3 LYS 79 HD3 LYS 79 -7.898 13.598 3.413 668 HE2 LYS 79 HE2 LYS 79 -8.600 15.657 2.888 669 HE3 LYS 79 HE3 LYS 79 -9.424 14.871 1.542 670 HZ1 LYS 79 HZ1 LYS 79 -11.156 15.983 2.468 671 HZ2 LYS 79 HZ2 LYS 79 -10.526 15.925 4.037 672 HZ3 LYS 79 HZ3 LYS 79 -11.267 14.557 3.372 673 H LYS 80 H LYS 80 -5.828 10.377 0.221 674 HA LYS 80 HA LYS 80 -6.882 10.251 -2.395 675 HB2 LYS 80 HB2 LYS 80 -4.399 10.806 -1.241 676 HB3 LYS 80 HB3 LYS 80 -4.125 9.413 -2.279 677 HG2 LYS 80 HG2 LYS 80 -3.852 10.928 -3.894 678 HG3 LYS 80 HG3 LYS 80 -5.615 11.014 -3.899 679 HD2 LYS 80 HD2 LYS 80 -5.612 12.936 -2.506 680 HD3 LYS 80 HD3 LYS 80 -3.896 12.750 -2.141 681 HE2 LYS 80 HE2 LYS 80 -3.614 14.285 -3.756 682 HE3 LYS 80 HE3 LYS 80 -3.842 12.921 -4.849 683 HZ1 LYS 80 HZ1 LYS 80 -5.418 14.274 -5.687 684 HZ2 LYS 80 HZ2 LYS 80 -5.630 15.134 -4.246 685 HZ3 LYS 80 HZ3 LYS 80 -6.363 13.622 -4.444 686 H LEU 81 H LEU 81 -5.046 7.879 -0.554 687 HA LEU 81 HA LEU 81 -5.000 5.821 -2.365 688 HB2 LEU 81 HB2 LEU 81 -4.073 4.637 -0.715 689 HB3 LEU 81 HB3 LEU 81 -4.135 6.143 0.169 690 HG LEU 81 HG LEU 81 -6.086 3.855 0.374 691 HD11 LEU 81 HD11 LEU 81 -4.990 3.195 2.218 692 HD12 LEU 81 HD12 LEU 81 -4.659 4.848 2.736 693 HD13 LEU 81 HD13 LEU 81 -3.639 4.084 1.518 694 HD21 LEU 81 HD21 LEU 81 -6.410 5.784 2.433 695 HD22 LEU 81 HD22 LEU 81 -7.580 5.242 1.237 696 HD23 LEU 81 HD23 LEU 81 -6.524 6.604 0.878 697 H GLY 82 H GLY 82 -7.748 6.951 -0.578 698 HA2 GLY 82 HA2 GLY 82 -9.944 6.392 -1.395 699 HA3 GLY 82 HA3 GLY 82 -9.333 4.805 -1.828 700 H ALA 83 H ALA 83 -10.220 3.279 -0.614 701 HA ALA 83 HA ALA 83 -11.169 3.907 2.059 702 HB1 ALA 83 HB1 ALA 83 -12.545 2.076 1.904 703 HB2 ALA 83 HB2 ALA 83 -11.437 1.199 0.848 704 HB3 ALA 83 HB3 ALA 83 -12.395 2.534 0.208 705 H TYR 84 H TYR 84 -8.513 2.310 0.587 706 HA TYR 84 HA TYR 84 -7.801 0.443 2.521 707 HB2 TYR 84 HB2 TYR 84 -6.129 2.081 0.623 708 HB3 TYR 84 HB3 TYR 84 -5.428 0.869 1.683 709 HD1 TYR 84 HD1 TYR 84 -6.434 -1.528 1.499 710 HD2 TYR 84 HD2 TYR 84 -6.892 1.477 -1.478 711 HE1 TYR 84 HE1 TYR 84 -6.915 -3.265 -0.173 712 HE2 TYR 84 HE2 TYR 84 -7.377 -0.252 -3.156 713 HH TYR 84 HH TYR 84 -6.730 -3.476 -2.711 714 H GLY 85 H GLY 85 -7.724 3.882 2.636 715 HA2 GLY 85 HA2 GLY 85 -5.671 4.483 4.358 716 HA3 GLY 85 HA3 GLY 85 -7.222 5.308 4.368 717 H SER 86 H SER 86 -8.621 2.781 5.073 718 HA SER 86 HA SER 86 -8.216 2.971 7.938 719 HB2 SER 86 HB2 SER 86 -10.392 2.139 6.157 720 HB3 SER 86 HB3 SER 86 -10.206 1.104 7.572 721 HG SER 86 HG SER 86 -11.550 3.177 7.649 722 H ARG 87 H ARG 87 -7.507 0.840 5.328 723 HA ARG 87 HA ARG 87 -7.244 -1.597 6.682 724 HB2 ARG 87 HB2 ARG 87 -7.222 -1.497 4.268 725 HB3 ARG 87 HB3 ARG 87 -5.764 -0.517 4.281 726 HG2 ARG 87 HG2 ARG 87 -4.632 -2.495 5.412 727 HG3 ARG 87 HG3 ARG 87 -6.060 -3.425 4.953 728 HD2 ARG 87 HD2 ARG 87 -4.106 -3.525 3.352 729 HD3 ARG 87 HD3 ARG 87 -5.662 -3.090 2.653 730 HE ARG 87 HE ARG 87 -4.915 -0.822 2.518 731 HH11 ARG 87 HH11 ARG 87 -2.410 -3.118 3.348 732 HH12 ARG 87 HH12 ARG 87 -1.125 -2.061 2.882 733 HH21 ARG 87 HH21 ARG 87 -3.227 0.556 1.909 734 HH22 ARG 87 HH22 ARG 87 -1.586 0.026 2.065 735 H ILE 88 H ILE 88 -5.112 1.173 6.485 736 HA ILE 88 HA ILE 88 -2.790 -0.118 7.510 737 HB ILE 88 HB ILE 88 -3.335 2.823 7.819 738 HG12 ILE 88 HG12 ILE 88 -3.948 2.409 5.541 739 HG13 ILE 88 HG13 ILE 88 -2.322 3.082 5.524 740 HG21 ILE 88 HG21 ILE 88 -0.763 1.448 7.099 741 HG22 ILE 88 HG22 ILE 88 -1.277 1.678 8.770 742 HG23 ILE 88 HG23 ILE 88 -0.997 3.077 7.733 743 HD11 ILE 88 HD11 ILE 88 -2.029 0.291 5.659 744 HD12 ILE 88 HD12 ILE 88 -1.672 1.362 4.303 745 HD13 ILE 88 HD13 ILE 88 -3.265 0.619 4.445 746 H VAL 89 H VAL 89 -3.181 -1.213 9.401 747 HA VAL 89 HA VAL 89 -4.510 0.128 11.609 748 HB VAL 89 HB VAL 89 -3.232 -2.606 11.617 749 HG11 VAL 89 HG11 VAL 89 -5.235 -2.801 13.348 750 HG12 VAL 89 HG12 VAL 89 -4.936 -1.068 13.491 751 HG13 VAL 89 HG13 VAL 89 -3.638 -2.218 13.816 752 HG21 VAL 89 HG21 VAL 89 -6.131 -1.980 11.089 753 HG22 VAL 89 HG22 VAL 89 -5.333 -3.550 11.011 754 HG23 VAL 89 HG23 VAL 89 -4.956 -2.309 9.816 755 H THR 90 H THR 90 -3.558 0.379 13.691 756 HA THR 90 HA THR 90 -0.644 0.239 13.846 757 HB THR 90 HB THR 90 -2.037 2.755 14.721 758 HG1 THR 90 HG1 THR 90 -0.978 2.186 12.156 759 HG21 THR 90 HG21 THR 90 0.796 2.020 14.090 760 HG22 THR 90 HG22 THR 90 0.131 2.691 15.580 761 HG23 THR 90 HG23 THR 90 0.248 3.695 14.135 762 H LEU 91 H LEU 91 -0.210 -0.867 15.633 763 HA LEU 91 HA LEU 91 -1.890 -0.403 18.009 764 HB2 LEU 91 HB2 LEU 91 -1.354 -2.847 16.583 765 HB3 LEU 91 HB3 LEU 91 -0.751 -2.969 18.223 766 HG LEU 91 HG LEU 91 -3.337 -1.852 18.417 767 HD11 LEU 91 HD11 LEU 91 -3.509 -4.398 16.854 768 HD12 LEU 91 HD12 LEU 91 -3.488 -2.835 16.037 769 HD13 LEU 91 HD13 LEU 91 -4.766 -3.208 17.194 770 HD21 LEU 91 HD21 LEU 91 -2.821 -3.166 20.187 771 HD22 LEU 91 HD22 LEU 91 -1.928 -4.328 19.206 772 HD23 LEU 91 HD23 LEU 91 -3.690 -4.373 19.239 773 H ARG 92 H ARG 92 -0.818 0.296 19.736 774 HA ARG 92 HA ARG 92 2.041 0.530 19.680 775 HB2 ARG 92 HB2 ARG 92 -0.130 1.360 21.560 776 HB3 ARG 92 HB3 ARG 92 1.528 1.326 22.144 777 HG2 ARG 92 HG2 ARG 92 2.205 2.880 20.419 778 HG3 ARG 92 HG3 ARG 92 0.578 2.863 19.735 779 HD2 ARG 92 HD2 ARG 92 0.357 4.723 21.004 780 HD3 ARG 92 HD3 ARG 92 -0.022 3.537 22.252 781 HE ARG 92 HE ARG 92 2.654 3.795 22.465 782 HH11 ARG 92 HH11 ARG 92 0.054 6.122 22.387 783 HH12 ARG 92 HH12 ARG 92 0.885 7.269 23.384 784 HH21 ARG 92 HH21 ARG 92 3.747 5.303 23.776 785 HH22 ARG 92 HH22 ARG 92 2.980 6.804 24.172 786 H GLY 93 H GLY 93 2.249 -1.879 19.451 787 HA2 GLY 93 HA2 GLY 93 3.429 -3.031 21.648 788 HA3 GLY 93 HA3 GLY 93 1.749 -3.544 21.722 789 H VAL 94 H VAL 94 1.291 -3.731 18.930 790 HA VAL 94 HA VAL 94 2.848 -6.153 18.368 791 HB VAL 94 HB VAL 94 0.395 -6.419 18.455 792 HG11 VAL 94 HG11 VAL 94 -0.266 -5.259 15.918 793 HG12 VAL 94 HG12 VAL 94 0.382 -4.022 16.992 794 HG13 VAL 94 HG13 VAL 94 -1.004 -4.988 17.496 795 HG21 VAL 94 HG21 VAL 94 0.356 -7.942 16.766 796 HG22 VAL 94 HG22 VAL 94 2.086 -7.598 16.788 797 HG23 VAL 94 HG23 VAL 94 1.047 -6.823 15.591 798 H GLY 95 H GLY 95 2.007 -2.999 17.114 799 HA2 GLY 95 HA2 GLY 95 3.615 -1.871 15.707 800 HA3 GLY 95 HA3 GLY 95 3.980 -3.418 14.962 801 H TYR 96 H TYR 96 3.619 -1.709 13.151 802 HA TYR 96 HA TYR 96 0.955 -1.049 12.438 803 HB2 TYR 96 HB2 TYR 96 3.629 -0.681 11.350 804 HB3 TYR 96 HB3 TYR 96 2.449 -1.008 10.089 805 HD1 TYR 96 HD1 TYR 96 3.434 1.311 12.763 806 HD2 TYR 96 HD2 TYR 96 0.718 0.595 9.567 807 HE1 TYR 96 HE1 TYR 96 2.709 3.658 12.862 808 HE2 TYR 96 HE2 TYR 96 -0.014 2.941 9.657 809 HH TYR 96 HH TYR 96 0.485 4.929 12.166 810 H LEU 97 H LEU 97 -0.543 -2.177 11.375 811 HA LEU 97 HA LEU 97 0.258 -4.550 9.849 812 HB2 LEU 97 HB2 LEU 97 -0.418 -5.374 12.030 813 HB3 LEU 97 HB3 LEU 97 -1.911 -4.459 11.946 814 HG LEU 97 HG LEU 97 -2.153 -5.967 9.711 815 HD11 LEU 97 HD11 LEU 97 0.064 -7.080 10.749 816 HD12 LEU 97 HD12 LEU 97 -1.117 -7.965 9.784 817 HD13 LEU 97 HD13 LEU 97 -1.173 -8.053 11.545 818 HD21 LEU 97 HD21 LEU 97 -3.000 -6.427 12.546 819 HD22 LEU 97 HD22 LEU 97 -3.461 -7.556 11.272 820 HD23 LEU 97 HD23 LEU 97 -3.954 -5.865 11.173 821 H PHE 98 H PHE 98 -0.942 -4.915 8.026 822 HA PHE 98 HA PHE 98 -3.016 -2.910 7.443 823 HB2 PHE 98 HB2 PHE 98 -1.826 -4.475 5.221 824 HB3 PHE 98 HB3 PHE 98 -2.306 -2.785 5.277 825 HD1 PHE 98 HD1 PHE 98 -0.802 -1.387 7.053 826 HD2 PHE 98 HD2 PHE 98 0.404 -4.869 4.923 827 HE1 PHE 98 HE1 PHE 98 1.553 -0.725 7.312 828 HE2 PHE 98 HE2 PHE 98 2.762 -4.214 5.179 829 HZ PHE 98 HZ PHE 98 3.338 -2.139 6.374 830 H SER 99 H SER 99 -4.575 -4.232 8.556 831 HA SER 99 HA SER 99 -5.189 -6.872 7.685 832 HB2 SER 99 HB2 SER 99 -6.393 -4.885 9.532 833 HB3 SER 99 HB3 SER 99 -7.477 -6.118 8.887 834 HG SER 99 HG SER 99 -6.661 -7.180 10.541 835 H ASP 100 H ASP 100 -5.831 -7.244 5.656 836 HA ASP 100 HA ASP 100 -8.167 -5.796 4.672 837 HB2 ASP 100 HB2 ASP 100 -5.787 -5.028 3.736 838 HB3 ASP 100 HB3 ASP 100 -6.070 -6.390 2.657 839 H ASP 101 H ASP 101 -5.941 -8.169 3.322 840 HA ASP 101 HA ASP 101 -7.815 -10.311 3.571 841 HB2 ASP 101 HB2 ASP 101 -8.333 -8.786 1.426 842 HB3 ASP 101 HB3 ASP 101 -7.103 -9.836 0.728 843 H GLY 102 H GLY 102 -5.160 -9.448 1.345 844 HA2 GLY 102 HA2 GLY 102 -2.910 -10.309 1.901 845 HA3 GLY 102 HA3 GLY 102 -3.700 -11.802 2.379 846 H ASP 103 H ASP 103 -4.845 -10.163 -0.450 847 HA ASP 103 HA ASP 103 -3.942 -12.385 -2.066 848 HB2 ASP 103 HB2 ASP 103 -6.296 -11.671 -2.213 849 HB3 ASP 103 HB3 ASP 103 -5.772 -10.086 -2.776 850 H LYS 104 H LYS 104 -1.670 -11.519 -1.773 851 HA LYS 104 HA LYS 104 -0.932 -9.160 -3.180 852 HB2 LYS 104 HB2 LYS 104 1.396 -10.113 -2.805 853 HB3 LYS 104 HB3 LYS 104 0.462 -9.731 -1.373 854 HG2 LYS 104 HG2 LYS 104 0.015 -12.454 -2.200 855 HG3 LYS 104 HG3 LYS 104 1.736 -12.132 -1.981 856 HD2 LYS 104 HD2 LYS 104 -0.319 -11.342 0.067 857 HD3 LYS 104 HD3 LYS 104 0.438 -12.937 0.059 858 HE2 LYS 104 HE2 LYS 104 2.219 -10.569 -0.096 859 HE3 LYS 104 HE3 LYS 104 1.427 -10.891 1.446 860 HZ1 LYS 104 HZ1 LYS 104 2.559 -13.252 0.301 861 HZ2 LYS 104 HZ2 LYS 104 2.786 -12.587 1.840 862 HZ3 LYS 104 HZ3 LYS 104 3.726 -12.050 0.541 863 H LYS 105 H LYS 105 0.996 -9.440 -4.815 864 HA LYS 105 HA LYS 105 -0.007 -10.447 -7.186 865 HB2 LYS 105 HB2 LYS 105 2.339 -10.295 -8.032 866 HB3 LYS 105 HB3 LYS 105 1.778 -8.844 -7.213 867 HG2 LYS 105 HG2 LYS 105 3.591 -8.927 -5.949 868 HG3 LYS 105 HG3 LYS 105 2.964 -10.406 -5.222 869 HD2 LYS 105 HD2 LYS 105 4.142 -11.011 -7.766 870 HD3 LYS 105 HD3 LYS 105 5.286 -10.090 -6.790 871 HE2 LYS 105 HE2 LYS 105 3.858 -12.233 -5.369 872 HE3 LYS 105 HE3 LYS 105 4.954 -12.775 -6.639 873 HZ1 LYS 105 HZ1 LYS 105 6.459 -12.630 -4.995 874 HZ2 LYS 105 HZ2 LYS 105 5.547 -11.533 -4.086 875 HZ3 LYS 105 HZ3 LYS 105 6.477 -10.984 -5.387 876 H PHE 106 H PHE 106 0.309 -12.311 -8.382 877 HA PHE 106 HA PHE 106 0.489 -14.726 -6.959 878 HB2 PHE 106 HB2 PHE 106 -0.363 -13.990 -9.466 879 HB3 PHE 106 HB3 PHE 106 1.084 -14.927 -9.825 880 HD1 PHE 106 HD1 PHE 106 1.064 -16.995 -7.795 881 HD2 PHE 106 HD2 PHE 106 -2.172 -15.316 -9.990 882 HE1 PHE 106 HE1 PHE 106 -0.211 -19.078 -7.501 883 HE2 PHE 106 HE2 PHE 106 -3.454 -17.395 -9.700 884 HZ PHE 106 HZ PHE 106 -2.474 -19.280 -8.453 885 H SER 107 H SER 107 2.230 -15.648 -6.122 886 HA SER 107 HA SER 107 4.868 -14.838 -6.694 887 HB2 SER 107 HB2 SER 107 4.465 -15.745 -4.537 888 HB3 SER 107 HB3 SER 107 3.736 -17.205 -5.205 889 HG SER 107 HG SER 107 6.337 -16.666 -4.688 890 H GLN 108 H GLN 108 6.106 -15.333 -8.371 891 HA GLN 108 HA GLN 108 5.348 -17.114 -10.401 892 HB2 GLN 108 HB2 GLN 108 7.561 -15.326 -9.853 893 HB3 GLN 108 HB3 GLN 108 8.122 -16.807 -10.617 894 HG2 GLN 108 HG2 GLN 108 7.215 -16.280 -12.590 895 HG3 GLN 108 HG3 GLN 108 5.743 -15.643 -11.858 896 HE21 GLN 108 HE21 GLN 108 7.123 -14.493 -14.039 897 HE22 GLN 108 HE22 GLN 108 7.691 -12.938 -13.547 898 H GLN 109 H GLN 109 7.255 -17.555 -7.514 899 HA GLN 109 HA GLN 109 8.608 -19.909 -8.168 900 HB2 GLN 109 HB2 GLN 109 8.856 -18.422 -6.092 901 HB3 GLN 109 HB3 GLN 109 7.509 -19.333 -5.424 902 HG2 GLN 109 HG2 GLN 109 8.763 -21.383 -5.569 903 HG3 GLN 109 HG3 GLN 109 10.090 -20.550 -6.378 904 HE21 GLN 109 HE21 GLN 109 8.144 -20.273 -3.421 905 HE22 GLN 109 HE22 GLN 109 9.469 -19.896 -2.379 906 H ASP 110 H ASP 110 7.829 -21.808 -8.769 907 HA ASP 110 HA ASP 110 5.085 -22.505 -8.482 908 HB2 ASP 110 HB2 ASP 110 7.463 -23.627 -9.776 909 HB3 ASP 110 HB3 ASP 110 6.355 -24.850 -9.163 910 H THR 111 H THR 111 7.835 -22.906 -6.487 911 HA THR 111 HA THR 111 7.247 -25.273 -5.135 912 HB THR 111 HB THR 111 8.469 -22.797 -3.909 913 HG1 THR 111 HG1 THR 111 10.355 -23.380 -4.814 914 HG21 THR 111 HG21 THR 111 8.033 -25.376 -2.860 915 HG22 THR 111 HG22 THR 111 8.938 -24.039 -2.150 916 HG23 THR 111 HG23 THR 111 9.760 -25.215 -3.175 917 H LYS 112 H LYS 112 5.215 -25.664 -4.459 918 HA LYS 112 HA LYS 112 3.401 -23.775 -3.471 919 HB2 LYS 112 HB2 LYS 112 3.588 -26.741 -3.462 920 HB3 LYS 112 HB3 LYS 112 2.465 -26.007 -2.327 921 HG2 LYS 112 HG2 LYS 112 1.065 -25.281 -3.961 922 HG3 LYS 112 HG3 LYS 112 2.365 -25.076 -5.137 923 HD2 LYS 112 HD2 LYS 112 1.442 -26.934 -6.042 924 HD3 LYS 112 HD3 LYS 112 2.444 -27.743 -4.836 925 HE2 LYS 112 HE2 LYS 112 0.632 -28.077 -3.390 926 HE3 LYS 112 HE3 LYS 112 -0.362 -26.879 -4.218 927 HZ1 LYS 112 HZ1 LYS 112 0.200 -29.657 -4.953 928 HZ2 LYS 112 HZ2 LYS 112 -0.043 -28.542 -6.202 929 HZ3 LYS 112 HZ3 LYS 112 -1.250 -28.789 -5.043 930 H LEU 113 H LEU 113 3.001 -22.951 -1.491 931 HA LEU 113 HA LEU 113 4.203 -24.114 0.859 932 HB2 LEU 113 HB2 LEU 113 5.528 -22.060 -0.476 933 HB3 LEU 113 HB3 LEU 113 4.715 -21.259 0.855 934 HG LEU 113 HG LEU 113 6.336 -23.716 1.391 935 HD11 LEU 113 HD11 LEU 113 8.173 -21.914 1.926 936 HD12 LEU 113 HD12 LEU 113 7.353 -21.020 0.647 937 HD13 LEU 113 HD13 LEU 113 8.028 -22.615 0.315 938 HD21 LEU 113 HD21 LEU 113 6.321 -23.006 3.561 939 HD22 LEU 113 HD22 LEU 113 4.792 -22.318 3.015 940 HD23 LEU 113 HD23 LEU 113 6.229 -21.301 3.120 941 H SER 114 H SER 114 3.202 -23.515 2.785 942 HA SER 114 HA SER 114 0.494 -22.826 2.631 943 HB2 SER 114 HB2 SER 114 2.025 -23.938 4.548 944 HB3 SER 114 HB3 SER 114 1.892 -22.304 5.196 945 HG SER 114 HG SER 114 0.199 -23.745 5.879 946 H LEU 115 H LEU 115 -0.331 -20.918 2.089 947 HA LEU 115 HA LEU 115 1.066 -18.505 2.036 948 HB2 LEU 115 HB2 LEU 115 -1.830 -19.258 1.905 949 HB3 LEU 115 HB3 LEU 115 -1.359 -17.576 1.947 950 HG LEU 115 HG LEU 115 -1.675 -18.108 -0.332 951 HD11 LEU 115 HD11 LEU 115 1.295 -18.359 0.073 952 HD12 LEU 115 HD12 LEU 115 0.411 -16.843 0.256 953 HD13 LEU 115 HD13 LEU 115 0.442 -17.663 -1.305 954 HD21 LEU 115 HD21 LEU 115 -0.891 -20.028 -1.427 955 HD22 LEU 115 HD22 LEU 115 -1.510 -20.609 0.119 956 HD23 LEU 115 HD23 LEU 115 0.227 -20.421 -0.121 957 H GLU 116 H GLU 116 -1.203 -19.823 4.418 958 HA GLU 116 HA GLU 116 -0.298 -17.747 6.301 959 HB2 GLU 116 HB2 GLU 116 -2.799 -17.790 5.336 960 HB3 GLU 116 HB3 GLU 116 -3.001 -18.923 6.665 961 HG2 GLU 116 HG2 GLU 116 -1.706 -16.947 7.940 962 HG3 GLU 116 HG3 GLU 116 -2.547 -16.015 6.702 Start of MODEL 22 1 H1 HIS 1 H1 HIS 1 0.624 -9.326 -11.466 2 H2 HIS 1 H2 HIS 1 -0.753 -10.333 -11.283 3 H3 HIS 1 H3 HIS 1 -0.296 -9.776 -12.840 4 HA HIS 1 HA HIS 1 0.257 -12.134 -12.195 5 HB2 HIS 1 HB2 HIS 1 2.065 -10.066 -13.409 6 HB3 HIS 1 HB3 HIS 1 2.600 -11.739 -13.290 7 HD1 HIS 1 HD1 HIS 1 2.562 -12.150 -15.810 8 HD2 HIS 1 HD2 HIS 1 -1.096 -10.908 -14.279 9 HE1 HIS 1 HE1 HIS 1 0.899 -12.517 -17.660 10 HE2 HIS 1 HE2 HIS 1 -1.295 -11.695 -16.735 11 H SER 2 H SER 2 2.594 -9.663 -11.106 12 HA SER 2 HA SER 2 3.252 -11.409 -8.834 13 HB2 SER 2 HB2 SER 2 5.456 -9.779 -9.978 14 HB3 SER 2 HB3 SER 2 5.503 -11.378 -9.236 15 HG SER 2 HG SER 2 4.465 -12.137 -11.204 16 H VAL 3 H VAL 3 3.369 -10.410 -6.906 17 HA VAL 3 HA VAL 3 3.279 -8.783 -5.320 18 HB VAL 3 HB VAL 3 4.375 -6.922 -7.430 19 HG11 VAL 3 HG11 VAL 3 4.998 -5.491 -5.705 20 HG12 VAL 3 HG12 VAL 3 4.841 -6.747 -4.476 21 HG13 VAL 3 HG13 VAL 3 3.399 -6.046 -5.210 22 HG21 VAL 3 HG21 VAL 3 5.588 -9.223 -6.629 23 HG22 VAL 3 HG22 VAL 3 6.228 -8.064 -5.464 24 HG23 VAL 3 HG23 VAL 3 6.436 -7.783 -7.192 25 HA PRO 4 HA PRO 4 -0.703 -6.992 -6.177 26 HB2 PRO 4 HB2 PRO 4 -0.437 -5.510 -3.667 27 HB3 PRO 4 HB3 PRO 4 -1.576 -6.788 -4.095 28 HG2 PRO 4 HG2 PRO 4 0.417 -7.181 -2.326 29 HG3 PRO 4 HG3 PRO 4 -0.162 -8.464 -3.400 30 HD2 PRO 4 HD2 PRO 4 2.277 -6.742 -3.654 31 HD3 PRO 4 HD3 PRO 4 2.089 -8.484 -3.952 32 H GLU 5 H GLU 5 1.037 -5.712 -7.703 33 HA GLU 5 HA GLU 5 1.276 -2.925 -6.999 34 HB2 GLU 5 HB2 GLU 5 2.149 -4.661 -9.253 35 HB3 GLU 5 HB3 GLU 5 2.034 -2.933 -9.528 36 HG2 GLU 5 HG2 GLU 5 3.405 -3.014 -7.185 37 HG3 GLU 5 HG3 GLU 5 3.988 -4.466 -7.996 38 H SER 6 H SER 6 -0.952 -4.945 -8.640 39 HA SER 6 HA SER 6 -2.750 -2.736 -9.018 40 HB2 SER 6 HB2 SER 6 -1.455 -2.494 -11.050 41 HB3 SER 6 HB3 SER 6 -1.659 -4.200 -11.429 42 HG SER 6 HG SER 6 -3.800 -2.358 -11.168 43 H ILE 7 H ILE 7 -4.683 -3.466 -8.498 44 HA ILE 7 HA ILE 7 -5.780 -5.806 -9.623 45 HB ILE 7 HB ILE 7 -4.336 -6.931 -7.998 46 HG12 ILE 7 HG12 ILE 7 -7.144 -7.133 -6.931 47 HG13 ILE 7 HG13 ILE 7 -6.742 -7.692 -8.552 48 HG21 ILE 7 HG21 ILE 7 -5.319 -6.527 -5.512 49 HG22 ILE 7 HG22 ILE 7 -5.464 -4.906 -6.190 50 HG23 ILE 7 HG23 ILE 7 -3.896 -5.712 -6.160 51 HD11 ILE 7 HD11 ILE 7 -4.988 -8.677 -6.415 52 HD12 ILE 7 HD12 ILE 7 -5.689 -9.520 -7.796 53 HD13 ILE 7 HD13 ILE 7 -6.659 -9.234 -6.351 54 H ARG 8 H ARG 8 -8.002 -6.194 -8.896 55 HA ARG 8 HA ARG 8 -9.241 -3.702 -8.024 56 HB2 ARG 8 HB2 ARG 8 -10.523 -6.226 -9.088 57 HB3 ARG 8 HB3 ARG 8 -11.335 -4.692 -8.808 58 HG2 ARG 8 HG2 ARG 8 -10.452 -3.723 -10.668 59 HG3 ARG 8 HG3 ARG 8 -8.984 -4.701 -10.616 60 HD2 ARG 8 HD2 ARG 8 -11.463 -6.207 -11.084 61 HD3 ARG 8 HD3 ARG 8 -11.032 -5.073 -12.363 62 HE ARG 8 HE ARG 8 -8.852 -6.743 -11.512 63 HH11 ARG 8 HH11 ARG 8 -11.605 -6.494 -13.641 64 HH12 ARG 8 HH12 ARG 8 -10.988 -7.643 -14.780 65 HH21 ARG 8 HH21 ARG 8 -8.037 -8.254 -13.009 66 HH22 ARG 8 HH22 ARG 8 -8.962 -8.643 -14.420 67 H PHE 9 H PHE 9 -9.752 -3.412 -5.960 68 HA PHE 9 HA PHE 9 -10.186 -5.781 -4.272 69 HB2 PHE 9 HB2 PHE 9 -8.339 -4.116 -3.708 70 HB3 PHE 9 HB3 PHE 9 -9.620 -2.982 -3.296 71 HD1 PHE 9 HD1 PHE 9 -11.453 -4.011 -1.654 72 HD2 PHE 9 HD2 PHE 9 -7.431 -5.356 -2.013 73 HE1 PHE 9 HE1 PHE 9 -11.578 -4.972 0.606 74 HE2 PHE 9 HE2 PHE 9 -7.549 -6.322 0.247 75 HZ PHE 9 HZ PHE 9 -9.624 -6.131 1.560 76 H GLY 10 H GLY 10 -12.362 -6.129 -4.692 77 HA2 GLY 10 HA2 GLY 10 -14.628 -5.847 -4.471 78 HA3 GLY 10 HA3 GLY 10 -14.223 -4.886 -3.059 79 HA PRO 11 HA PRO 11 -16.302 -1.699 -5.439 80 HB2 PRO 11 HB2 PRO 11 -16.056 0.285 -3.599 81 HB3 PRO 11 HB3 PRO 11 -17.262 -1.001 -3.472 82 HG2 PRO 11 HG2 PRO 11 -14.603 -0.757 -2.116 83 HG3 PRO 11 HG3 PRO 11 -16.162 -1.267 -1.440 84 HD2 PRO 11 HD2 PRO 11 -14.249 -3.037 -2.154 85 HD3 PRO 11 HD3 PRO 11 -15.980 -3.401 -2.300 86 H ASN 12 H ASN 12 -13.311 -0.947 -3.653 87 HA ASN 12 HA ASN 12 -12.580 1.049 -5.639 88 HB2 ASN 12 HB2 ASN 12 -11.484 0.220 -2.976 89 HB3 ASN 12 HB3 ASN 12 -10.487 1.163 -4.078 90 HD21 ASN 12 HD21 ASN 12 -10.452 3.154 -3.314 91 HD22 ASN 12 HD22 ASN 12 -11.832 4.082 -2.845 92 H VAL 13 H VAL 13 -10.290 1.023 -6.469 93 HA VAL 13 HA VAL 13 -9.038 -1.571 -6.714 94 HB VAL 13 HB VAL 13 -9.120 -1.673 -9.148 95 HG11 VAL 13 HG11 VAL 13 -11.337 -2.466 -9.390 96 HG12 VAL 13 HG12 VAL 13 -11.939 -1.380 -8.137 97 HG13 VAL 13 HG13 VAL 13 -10.899 -2.736 -7.703 98 HG21 VAL 13 HG21 VAL 13 -10.673 0.873 -8.850 99 HG22 VAL 13 HG22 VAL 13 -10.896 -0.163 -10.260 100 HG23 VAL 13 HG23 VAL 13 -9.308 0.518 -9.908 101 H PHE 14 H PHE 14 -6.887 -1.374 -6.954 102 HA PHE 14 HA PHE 14 -5.812 1.318 -7.394 103 HB2 PHE 14 HB2 PHE 14 -4.177 -1.059 -6.545 104 HB3 PHE 14 HB3 PHE 14 -3.878 0.650 -6.245 105 HD1 PHE 14 HD1 PHE 14 -6.211 1.682 -5.031 106 HD2 PHE 14 HD2 PHE 14 -4.499 -2.189 -4.585 107 HE1 PHE 14 HE1 PHE 14 -7.264 1.475 -2.817 108 HE2 PHE 14 HE2 PHE 14 -5.549 -2.402 -2.371 109 HZ PHE 14 HZ PHE 14 -6.932 -0.569 -1.484 110 H TYR 15 H TYR 15 -4.224 1.738 -8.959 111 HA TYR 15 HA TYR 15 -3.980 -0.360 -11.012 112 HB2 TYR 15 HB2 TYR 15 -4.154 2.634 -11.311 113 HB3 TYR 15 HB3 TYR 15 -3.627 1.571 -12.609 114 HD1 TYR 15 HD1 TYR 15 -5.450 -0.707 -12.338 115 HD2 TYR 15 HD2 TYR 15 -6.222 3.461 -11.976 116 HE1 TYR 15 HE1 TYR 15 -7.792 -1.091 -12.981 117 HE2 TYR 15 HE2 TYR 15 -8.566 3.089 -12.618 118 HH TYR 15 HH TYR 15 -9.890 1.409 -13.862 119 H VAL 16 H VAL 16 -2.057 -0.967 -11.676 120 HA VAL 16 HA VAL 16 0.260 -0.664 -10.292 121 HB VAL 16 HB VAL 16 1.310 -1.035 -12.762 122 HG11 VAL 16 HG11 VAL 16 0.444 -2.682 -10.586 123 HG12 VAL 16 HG12 VAL 16 1.829 -2.877 -11.653 124 HG13 VAL 16 HG13 VAL 16 0.259 -3.537 -12.112 125 HG21 VAL 16 HG21 VAL 16 -1.298 -2.436 -13.086 126 HG22 VAL 16 HG22 VAL 16 -0.133 -1.920 -14.308 127 HG23 VAL 16 HG23 VAL 16 -1.195 -0.736 -13.546 128 H LEU 17 H LEU 17 -0.289 1.009 -13.412 129 HA LEU 17 HA LEU 17 1.474 3.154 -12.422 130 HB2 LEU 17 HB2 LEU 17 1.230 1.929 -15.151 131 HB3 LEU 17 HB3 LEU 17 1.914 3.527 -14.929 132 HG LEU 17 HG LEU 17 3.736 2.016 -15.062 133 HD11 LEU 17 HD11 LEU 17 3.661 2.190 -12.118 134 HD12 LEU 17 HD12 LEU 17 3.452 3.703 -13.000 135 HD13 LEU 17 HD13 LEU 17 4.895 2.722 -13.259 136 HD21 LEU 17 HD21 LEU 17 2.050 0.097 -14.228 137 HD22 LEU 17 HD22 LEU 17 2.971 0.359 -12.747 138 HD23 LEU 17 HD23 LEU 17 3.804 -0.082 -14.237 139 H LYS 18 H LYS 18 -1.639 2.407 -13.604 140 HA LYS 18 HA LYS 18 -2.350 4.716 -14.978 141 HB2 LYS 18 HB2 LYS 18 -3.664 2.466 -14.309 142 HB3 LYS 18 HB3 LYS 18 -4.387 3.579 -13.155 143 HG2 LYS 18 HG2 LYS 18 -5.323 4.896 -14.817 144 HG3 LYS 18 HG3 LYS 18 -4.227 4.280 -16.054 145 HD2 LYS 18 HD2 LYS 18 -5.345 2.170 -16.098 146 HD3 LYS 18 HD3 LYS 18 -6.308 2.590 -14.681 147 HE2 LYS 18 HE2 LYS 18 -7.400 4.372 -15.961 148 HE3 LYS 18 HE3 LYS 18 -6.444 3.936 -17.377 149 HZ1 LYS 18 HZ1 LYS 18 -8.536 2.321 -16.037 150 HZ2 LYS 18 HZ2 LYS 18 -7.473 1.674 -17.183 151 HZ3 LYS 18 HZ3 LYS 18 -8.538 2.912 -17.623 152 H LEU 19 H LEU 19 -2.350 4.095 -11.485 153 HA LEU 19 HA LEU 19 -2.414 5.495 -9.702 154 HB2 LEU 19 HB2 LEU 19 -1.171 7.023 -11.820 155 HB3 LEU 19 HB3 LEU 19 -2.081 8.072 -10.751 156 HG LEU 19 HG LEU 19 0.295 7.847 -10.107 157 HD11 LEU 19 HD11 LEU 19 -0.500 8.375 -8.107 158 HD12 LEU 19 HD12 LEU 19 -0.652 6.658 -7.741 159 HD13 LEU 19 HD13 LEU 19 -2.011 7.533 -8.445 160 HD21 LEU 19 HD21 LEU 19 -0.479 4.964 -9.955 161 HD22 LEU 19 HD22 LEU 19 0.778 5.599 -8.894 162 HD23 LEU 19 HD23 LEU 19 0.966 5.703 -10.645 163 H THR 20 H THR 20 -4.807 4.758 -10.430 164 HA THR 20 HA THR 20 -6.446 7.072 -9.844 165 HB THR 20 HB THR 20 -7.868 5.762 -11.910 166 HG1 THR 20 HG1 THR 20 -5.258 6.508 -12.728 167 HG21 THR 20 HG21 THR 20 -6.666 8.451 -11.534 168 HG22 THR 20 HG22 THR 20 -8.352 7.983 -11.754 169 HG23 THR 20 HG23 THR 20 -7.252 7.992 -13.133 170 H VAL 21 H VAL 21 -7.499 6.368 -8.109 171 HA VAL 21 HA VAL 21 -8.243 3.565 -7.877 172 HB VAL 21 HB VAL 21 -8.686 5.782 -5.874 173 HG11 VAL 21 HG11 VAL 21 -8.827 2.782 -5.706 174 HG12 VAL 21 HG12 VAL 21 -10.098 3.955 -5.363 175 HG13 VAL 21 HG13 VAL 21 -8.710 3.819 -4.284 176 HG21 VAL 21 HG21 VAL 21 -6.653 4.330 -4.850 177 HG22 VAL 21 HG22 VAL 21 -6.432 5.804 -5.793 178 HG23 VAL 21 HG23 VAL 21 -6.284 4.228 -6.571 179 H GLU 22 H GLU 22 -10.092 2.944 -8.775 180 HA GLU 22 HA GLU 22 -12.205 4.733 -9.420 181 HB2 GLU 22 HB2 GLU 22 -11.514 2.377 -10.421 182 HB3 GLU 22 HB3 GLU 22 -12.675 1.790 -9.239 183 HG2 GLU 22 HG2 GLU 22 -14.245 2.160 -10.754 184 HG3 GLU 22 HG3 GLU 22 -13.988 3.883 -10.485 185 H THR 23 H THR 23 -13.994 5.276 -8.311 186 HA THR 23 HA THR 23 -14.602 3.797 -5.849 187 HB THR 23 HB THR 23 -13.529 5.705 -4.995 188 HG1 THR 23 HG1 THR 23 -15.178 6.803 -3.983 189 HG21 THR 23 HG21 THR 23 -14.418 6.990 -7.395 190 HG22 THR 23 HG22 THR 23 -13.166 7.481 -6.254 191 HG23 THR 23 HG23 THR 23 -14.843 7.958 -5.984 192 HA PRO 24 HA PRO 24 -18.761 3.624 -7.277 193 HB2 PRO 24 HB2 PRO 24 -20.100 3.927 -4.890 194 HB3 PRO 24 HB3 PRO 24 -19.382 2.416 -5.449 195 HG2 PRO 24 HG2 PRO 24 -18.303 4.429 -3.528 196 HG3 PRO 24 HG3 PRO 24 -18.253 2.658 -3.446 197 HD2 PRO 24 HD2 PRO 24 -16.128 4.087 -4.208 198 HD3 PRO 24 HD3 PRO 24 -16.487 2.515 -4.941 199 H GLU 25 H GLU 25 -17.570 6.353 -5.524 200 HA GLU 25 HA GLU 25 -19.940 7.958 -6.013 201 HB2 GLU 25 HB2 GLU 25 -18.161 8.033 -4.006 202 HB3 GLU 25 HB3 GLU 25 -17.416 9.212 -5.077 203 HG2 GLU 25 HG2 GLU 25 -20.039 9.987 -5.085 204 HG3 GLU 25 HG3 GLU 25 -19.812 9.418 -3.432 205 H GLY 26 H GLY 26 -16.768 7.429 -7.362 206 HA2 GLY 26 HA2 GLY 26 -17.390 8.549 -9.846 207 HA3 GLY 26 HA3 GLY 26 -16.558 9.779 -8.908 208 H SER 27 H SER 27 -14.377 9.621 -8.567 209 HA SER 27 HA SER 27 -12.891 7.240 -9.083 210 HB2 SER 27 HB2 SER 27 -13.553 8.514 -11.386 211 HB3 SER 27 HB3 SER 27 -12.043 9.336 -10.995 212 HG SER 27 HG SER 27 -12.338 6.968 -12.097 213 H VAL 28 H VAL 28 -10.456 7.761 -9.083 214 HA VAL 28 HA VAL 28 -9.937 10.138 -7.426 215 HB VAL 28 HB VAL 28 -8.687 7.435 -6.947 216 HG11 VAL 28 HG11 VAL 28 -7.711 8.378 -5.022 217 HG12 VAL 28 HG12 VAL 28 -8.706 9.830 -5.132 218 HG13 VAL 28 HG13 VAL 28 -7.431 9.542 -6.315 219 HG21 VAL 28 HG21 VAL 28 -10.740 8.748 -5.190 220 HG22 VAL 28 HG22 VAL 28 -10.148 7.087 -5.140 221 HG23 VAL 28 HG23 VAL 28 -11.184 7.615 -6.466 222 H HIS 29 H HIS 29 -7.948 11.114 -7.653 223 HA HIS 29 HA HIS 29 -6.005 9.989 -9.516 224 HB2 HIS 29 HB2 HIS 29 -7.397 12.642 -9.902 225 HB3 HIS 29 HB3 HIS 29 -5.868 12.247 -10.679 226 HD1 HIS 29 HD1 HIS 29 -6.121 11.334 -12.955 227 HD2 HIS 29 HD2 HIS 29 -9.454 10.542 -10.603 228 HE1 HIS 29 HE1 HIS 29 -7.749 10.160 -14.470 229 HE2 HIS 29 HE2 HIS 29 -9.785 9.750 -13.043 230 H LEU 30 H LEU 30 -4.000 10.268 -8.734 231 HA LEU 30 HA LEU 30 -3.192 12.663 -7.408 232 HB2 LEU 30 HB2 LEU 30 -2.616 11.630 -5.242 233 HB3 LEU 30 HB3 LEU 30 -4.338 11.733 -5.531 234 HG LEU 30 HG LEU 30 -3.859 9.641 -4.466 235 HD11 LEU 30 HD11 LEU 30 -5.003 8.191 -5.852 236 HD12 LEU 30 HD12 LEU 30 -4.263 8.839 -7.316 237 HD13 LEU 30 HD13 LEU 30 -5.486 9.776 -6.456 238 HD21 LEU 30 HD21 LEU 30 -1.460 9.738 -5.807 239 HD22 LEU 30 HD22 LEU 30 -2.299 8.387 -6.568 240 HD23 LEU 30 HD23 LEU 30 -2.051 8.406 -4.821 241 H THR 31 H THR 31 -0.922 12.397 -6.456 242 HA THR 31 HA THR 31 0.756 11.376 -8.494 243 HB THR 31 HB THR 31 1.772 12.102 -5.768 244 HG1 THR 31 HG1 THR 31 1.330 14.175 -6.058 245 HG21 THR 31 HG21 THR 31 3.493 13.290 -7.092 246 HG22 THR 31 HG22 THR 31 2.768 12.625 -8.555 247 HG23 THR 31 HG23 THR 31 3.471 11.546 -7.351 248 HA PRO 32 HA PRO 32 1.236 7.155 -7.302 249 HB2 PRO 32 HB2 PRO 32 3.876 6.861 -8.131 250 HB3 PRO 32 HB3 PRO 32 2.449 6.654 -9.146 251 HG2 PRO 32 HG2 PRO 32 4.267 8.998 -8.885 252 HG3 PRO 32 HG3 PRO 32 3.441 8.368 -10.321 253 HD2 PRO 32 HD2 PRO 32 2.580 10.566 -9.036 254 HD3 PRO 32 HD3 PRO 32 1.448 9.428 -9.791 255 H SER 33 H SER 33 3.180 9.679 -6.017 256 HA SER 33 HA SER 33 4.801 8.069 -4.330 257 HB2 SER 33 HB2 SER 33 5.204 10.511 -5.056 258 HB3 SER 33 HB3 SER 33 4.101 10.935 -3.746 259 HG SER 33 HG SER 33 5.566 9.582 -2.410 260 H GLU 34 H GLU 34 1.648 9.494 -4.012 261 HA GLU 34 HA GLU 34 1.488 8.889 -1.195 262 HB2 GLU 34 HB2 GLU 34 -0.478 9.987 -3.191 263 HB3 GLU 34 HB3 GLU 34 -0.981 9.523 -1.572 264 HG2 GLU 34 HG2 GLU 34 -0.599 11.773 -1.329 265 HG3 GLU 34 HG3 GLU 34 0.935 11.085 -0.800 266 H SER 35 H SER 35 0.043 7.684 -4.161 267 HA SER 35 HA SER 35 -1.225 5.499 -2.809 268 HB2 SER 35 HB2 SER 35 -2.147 4.922 -4.838 269 HB3 SER 35 HB3 SER 35 -1.800 6.620 -5.146 270 HG SER 35 HG SER 35 -0.329 4.350 -5.975 271 H GLY 36 H GLY 36 1.940 6.218 -3.652 272 HA2 GLY 36 HA2 GLY 36 2.803 3.551 -4.275 273 HA3 GLY 36 HA3 GLY 36 3.835 4.939 -3.981 274 H ILE 37 H ILE 37 2.532 5.530 -1.404 275 HA ILE 37 HA ILE 37 4.178 3.832 0.210 276 HB ILE 37 HB ILE 37 3.933 6.075 0.972 277 HG12 ILE 37 HG12 ILE 37 3.838 4.090 2.663 278 HG13 ILE 37 HG13 ILE 37 3.532 5.725 3.235 279 HG21 ILE 37 HG21 ILE 37 1.047 5.578 0.547 280 HG22 ILE 37 HG22 ILE 37 2.022 7.002 0.185 281 HG23 ILE 37 HG23 ILE 37 1.505 6.684 1.841 282 HD11 ILE 37 HD11 ILE 37 1.102 4.392 2.384 283 HD12 ILE 37 HD12 ILE 37 1.484 5.195 3.907 284 HD13 ILE 37 HD13 ILE 37 1.949 3.512 3.656 285 H LEU 38 H LEU 38 0.787 3.985 -0.551 286 HA LEU 38 HA LEU 38 0.022 2.014 1.387 287 HB2 LEU 38 HB2 LEU 38 -2.139 1.997 0.215 288 HB3 LEU 38 HB3 LEU 38 -1.625 3.618 0.637 289 HG LEU 38 HG LEU 38 -0.760 3.788 -1.769 290 HD11 LEU 38 HD11 LEU 38 -2.460 2.226 -3.154 291 HD12 LEU 38 HD12 LEU 38 -2.090 1.158 -1.801 292 HD13 LEU 38 HD13 LEU 38 -0.787 1.786 -2.810 293 HD21 LEU 38 HD21 LEU 38 -3.276 4.000 -2.554 294 HD22 LEU 38 HD22 LEU 38 -2.562 5.134 -1.407 295 HD23 LEU 38 HD23 LEU 38 -3.570 3.812 -0.827 296 H LYS 39 H LYS 39 1.385 2.008 -1.748 297 HA LYS 39 HA LYS 39 0.509 -0.557 -2.586 298 HB2 LYS 39 HB2 LYS 39 1.337 1.140 -4.169 299 HB3 LYS 39 HB3 LYS 39 2.936 1.022 -3.446 300 HG2 LYS 39 HG2 LYS 39 2.875 -1.436 -4.086 301 HG3 LYS 39 HG3 LYS 39 1.473 -1.027 -5.077 302 HD2 LYS 39 HD2 LYS 39 3.732 0.785 -5.458 303 HD3 LYS 39 HD3 LYS 39 4.101 -0.890 -5.874 304 HE2 LYS 39 HE2 LYS 39 2.922 -0.748 -7.755 305 HE3 LYS 39 HE3 LYS 39 1.511 -0.144 -6.887 306 HZ1 LYS 39 HZ1 LYS 39 2.248 2.063 -7.118 307 HZ2 LYS 39 HZ2 LYS 39 2.463 1.361 -8.641 308 HZ3 LYS 39 HZ3 LYS 39 3.793 1.594 -7.623 309 H ARG 40 H ARG 40 3.211 0.649 -0.733 310 HA ARG 40 HA ARG 40 4.681 -1.785 -0.729 311 HB2 ARG 40 HB2 ARG 40 5.040 0.836 0.282 312 HB3 ARG 40 HB3 ARG 40 5.180 -0.257 1.652 313 HG2 ARG 40 HG2 ARG 40 7.256 -0.718 1.053 314 HG3 ARG 40 HG3 ARG 40 6.660 -1.394 -0.464 315 HD2 ARG 40 HD2 ARG 40 6.553 1.170 -1.128 316 HD3 ARG 40 HD3 ARG 40 7.800 1.290 0.112 317 HE ARG 40 HE ARG 40 9.262 0.228 -1.298 318 HH11 ARG 40 HH11 ARG 40 6.016 -0.169 -2.517 319 HH12 ARG 40 HH12 ARG 40 6.531 -0.863 -4.018 320 HH21 ARG 40 HH21 ARG 40 9.941 -0.685 -3.271 321 HH22 ARG 40 HH22 ARG 40 8.759 -1.156 -4.446 322 H LEU 41 H LEU 41 2.122 -0.483 1.209 323 HA LEU 41 HA LEU 41 2.295 -2.561 3.203 324 HB2 LEU 41 HB2 LEU 41 0.032 -0.622 2.721 325 HB3 LEU 41 HB3 LEU 41 0.326 -1.558 4.175 326 HG LEU 41 HG LEU 41 1.926 0.780 3.146 327 HD11 LEU 41 HD11 LEU 41 1.279 1.110 5.825 328 HD12 LEU 41 HD12 LEU 41 -0.174 0.423 5.100 329 HD13 LEU 41 HD13 LEU 41 0.521 1.906 4.446 330 HD21 LEU 41 HD21 LEU 41 2.920 0.066 5.641 331 HD22 LEU 41 HD22 LEU 41 3.728 -0.128 4.086 332 HD23 LEU 41 HD23 LEU 41 2.790 -1.458 4.764 333 H LEU 42 H LEU 42 0.807 -2.069 0.155 334 HA LEU 42 HA LEU 42 -1.289 -3.979 0.447 335 HB2 LEU 42 HB2 LEU 42 -0.351 -2.170 -1.578 336 HB3 LEU 42 HB3 LEU 42 -0.583 -3.757 -2.281 337 HG LEU 42 HG LEU 42 -2.585 -2.432 -2.562 338 HD11 LEU 42 HD11 LEU 42 -4.015 -4.111 -2.098 339 HD12 LEU 42 HD12 LEU 42 -3.499 -4.233 -0.416 340 HD13 LEU 42 HD13 LEU 42 -2.530 -4.970 -1.691 341 HD21 LEU 42 HD21 LEU 42 -3.865 -1.597 -0.686 342 HD22 LEU 42 HD22 LEU 42 -2.236 -0.921 -0.650 343 HD23 LEU 42 HD23 LEU 42 -2.670 -2.232 0.446 344 H ILE 43 H ILE 43 2.061 -4.052 -0.476 345 HA ILE 43 HA ILE 43 2.111 -6.599 -1.692 346 HB ILE 43 HB ILE 43 4.333 -5.231 -0.167 347 HG12 ILE 43 HG12 ILE 43 4.137 -5.265 -3.148 348 HG13 ILE 43 HG13 ILE 43 3.139 -4.123 -2.256 349 HG21 ILE 43 HG21 ILE 43 5.798 -6.629 -1.621 350 HG22 ILE 43 HG22 ILE 43 4.357 -7.496 -2.155 351 HG23 ILE 43 HG23 ILE 43 4.844 -7.553 -0.461 352 HD11 ILE 43 HD11 ILE 43 5.556 -3.721 -1.101 353 HD12 ILE 43 HD12 ILE 43 4.916 -2.784 -2.452 354 HD13 ILE 43 HD13 ILE 43 6.020 -4.125 -2.754 355 H ASN 44 H ASN 44 1.948 -5.579 1.617 356 HA ASN 44 HA ASN 44 2.518 -8.291 2.554 357 HB2 ASN 44 HB2 ASN 44 2.564 -5.601 3.831 358 HB3 ASN 44 HB3 ASN 44 2.239 -7.001 4.847 359 HD21 ASN 44 HD21 ASN 44 3.818 -8.917 4.028 360 HD22 ASN 44 HD22 ASN 44 5.484 -8.463 4.084 361 H LYS 45 H LYS 45 0.145 -5.728 2.997 362 HA LYS 45 HA LYS 45 -2.048 -5.741 3.619 363 HB2 LYS 45 HB2 LYS 45 -1.761 -8.150 1.874 364 HB3 LYS 45 HB3 LYS 45 -3.289 -7.877 2.701 365 HG2 LYS 45 HG2 LYS 45 -1.993 -5.762 1.014 366 HG3 LYS 45 HG3 LYS 45 -3.068 -6.986 0.335 367 HD2 LYS 45 HD2 LYS 45 -4.616 -5.378 0.773 368 HD3 LYS 45 HD3 LYS 45 -4.610 -6.172 2.348 369 HE2 LYS 45 HE2 LYS 45 -3.566 -4.438 3.370 370 HE3 LYS 45 HE3 LYS 45 -2.616 -4.029 1.943 371 HZ1 LYS 45 HZ1 LYS 45 -4.818 -3.221 0.987 372 HZ2 LYS 45 HZ2 LYS 45 -4.096 -2.269 2.184 373 HZ3 LYS 45 HZ3 LYS 45 -5.400 -3.272 2.575 374 H GLY 46 H GLY 46 -1.737 -5.868 5.853 375 HA2 GLY 46 HA2 GLY 46 -2.561 -6.818 7.837 376 HA3 GLY 46 HA3 GLY 46 -2.678 -8.369 7.020 377 H GLN 47 H GLN 47 -0.007 -6.083 7.617 378 HA GLN 47 HA GLN 47 1.394 -8.203 9.080 379 HB2 GLN 47 HB2 GLN 47 2.492 -6.625 6.756 380 HB3 GLN 47 HB3 GLN 47 3.516 -7.491 7.891 381 HG2 GLN 47 HG2 GLN 47 1.431 -8.679 6.078 382 HG3 GLN 47 HG3 GLN 47 3.181 -8.823 5.921 383 HE21 GLN 47 HE21 GLN 47 0.699 -10.626 6.561 384 HE22 GLN 47 HE22 GLN 47 1.306 -11.653 7.810 385 H LEU 48 H LEU 48 3.430 -7.283 10.142 386 HA LEU 48 HA LEU 48 2.678 -4.757 11.411 387 HB2 LEU 48 HB2 LEU 48 3.623 -7.172 12.416 388 HB3 LEU 48 HB3 LEU 48 5.005 -6.098 12.524 389 HG LEU 48 HG LEU 48 2.431 -5.034 13.534 390 HD11 LEU 48 HD11 LEU 48 3.842 -6.621 15.538 391 HD12 LEU 48 HD12 LEU 48 3.061 -7.586 14.286 392 HD13 LEU 48 HD13 LEU 48 2.113 -6.444 15.238 393 HD21 LEU 48 HD21 LEU 48 4.710 -3.888 13.532 394 HD22 LEU 48 HD22 LEU 48 5.144 -5.011 14.821 395 HD23 LEU 48 HD23 LEU 48 3.805 -3.885 15.046 396 H CYS 49 H CYS 49 3.644 -2.937 10.852 397 HA CYS 49 HA CYS 49 6.470 -2.905 10.187 398 HB2 CYS 49 HB2 CYS 49 4.403 -1.809 8.269 399 HB3 CYS 49 HB3 CYS 49 6.150 -1.689 8.088 400 HG CYS 49 HG CYS 49 5.031 -3.693 6.676 401 H LEU 50 H LEU 50 6.802 -1.677 12.006 402 HA LEU 50 HA LEU 50 5.355 0.433 12.990 403 HB2 LEU 50 HB2 LEU 50 8.332 0.664 12.994 404 HB3 LEU 50 HB3 LEU 50 7.191 1.030 14.269 405 HG LEU 50 HG LEU 50 8.217 -0.838 15.115 406 HD11 LEU 50 HD11 LEU 50 6.412 -2.066 15.466 407 HD12 LEU 50 HD12 LEU 50 6.520 -2.751 13.845 408 HD13 LEU 50 HD13 LEU 50 5.621 -1.260 14.113 409 HD21 LEU 50 HD21 LEU 50 8.453 -2.861 13.310 410 HD22 LEU 50 HD22 LEU 50 9.730 -1.717 13.724 411 HD23 LEU 50 HD23 LEU 50 8.727 -1.442 12.300 412 H ARG 51 H ARG 51 5.967 2.783 12.998 413 HA ARG 51 HA ARG 51 5.643 3.891 10.470 414 HB2 ARG 51 HB2 ARG 51 6.463 6.046 11.635 415 HB3 ARG 51 HB3 ARG 51 4.986 5.287 12.210 416 HG2 ARG 51 HG2 ARG 51 7.161 4.168 13.651 417 HG3 ARG 51 HG3 ARG 51 7.338 5.922 13.659 418 HD2 ARG 51 HD2 ARG 51 5.740 6.095 15.189 419 HD3 ARG 51 HD3 ARG 51 4.599 5.286 14.117 420 HE ARG 51 HE ARG 51 6.039 3.247 15.185 421 HH11 ARG 51 HH11 ARG 51 4.235 5.906 16.546 422 HH12 ARG 51 HH12 ARG 51 3.810 5.044 17.986 423 HH21 ARG 51 HH21 ARG 51 5.481 2.111 17.079 424 HH22 ARG 51 HH22 ARG 51 4.518 2.890 18.290 425 H LYS 52 H LYS 52 8.557 3.671 12.430 426 HA LYS 52 HA LYS 52 10.307 4.914 10.643 427 HB2 LYS 52 HB2 LYS 52 10.589 4.002 13.140 428 HB3 LYS 52 HB3 LYS 52 11.343 2.666 12.282 429 HG2 LYS 52 HG2 LYS 52 13.205 3.824 11.966 430 HG3 LYS 52 HG3 LYS 52 12.313 5.187 11.289 431 HD2 LYS 52 HD2 LYS 52 12.083 4.885 14.202 432 HD3 LYS 52 HD3 LYS 52 13.707 5.259 13.621 433 HE2 LYS 52 HE2 LYS 52 11.401 6.819 12.559 434 HE3 LYS 52 HE3 LYS 52 11.984 7.169 14.185 435 HZ1 LYS 52 HZ1 LYS 52 14.279 7.170 12.903 436 HZ2 LYS 52 HZ2 LYS 52 13.315 8.555 13.013 437 HZ3 LYS 52 HZ3 LYS 52 13.282 7.613 11.609 438 H HIS 53 H HIS 53 8.832 1.855 10.538 439 HA HIS 53 HA HIS 53 10.743 0.679 8.732 440 HB2 HIS 53 HB2 HIS 53 9.254 -0.506 10.462 441 HB3 HIS 53 HB3 HIS 53 7.970 -0.301 9.280 442 HD1 HIS 53 HD1 HIS 53 10.749 -2.491 10.166 443 HD2 HIS 53 HD2 HIS 53 8.513 -1.675 6.760 444 HE1 HIS 53 HE1 HIS 53 11.186 -4.409 8.600 445 HE2 HIS 53 HE2 HIS 53 9.877 -3.859 6.518 446 H LEU 54 H LEU 54 7.626 2.227 8.628 447 HA LEU 54 HA LEU 54 7.088 1.710 5.891 448 HB2 LEU 54 HB2 LEU 54 5.840 3.147 8.077 449 HB3 LEU 54 HB3 LEU 54 5.727 4.049 6.578 450 HG LEU 54 HG LEU 54 3.752 2.641 6.978 451 HD11 LEU 54 HD11 LEU 54 5.103 1.367 4.660 452 HD12 LEU 54 HD12 LEU 54 4.901 3.119 4.654 453 HD13 LEU 54 HD13 LEU 54 3.490 2.069 4.786 454 HD21 LEU 54 HD21 LEU 54 3.815 0.430 7.410 455 HD22 LEU 54 HD22 LEU 54 5.443 0.801 7.978 456 HD23 LEU 54 HD23 LEU 54 5.201 0.153 6.355 457 H LEU 55 H LEU 55 8.495 4.399 7.647 458 HA LEU 55 HA LEU 55 8.835 6.062 5.372 459 HB2 LEU 55 HB2 LEU 55 10.606 7.180 6.854 460 HB3 LEU 55 HB3 LEU 55 8.936 7.224 7.382 461 HG LEU 55 HG LEU 55 9.830 4.964 8.624 462 HD11 LEU 55 HD11 LEU 55 11.975 5.105 9.349 463 HD12 LEU 55 HD12 LEU 55 12.063 6.851 9.112 464 HD13 LEU 55 HD13 LEU 55 12.144 5.766 7.724 465 HD21 LEU 55 HD21 LEU 55 10.343 7.051 10.408 466 HD22 LEU 55 HD22 LEU 55 8.846 6.143 10.215 467 HD23 LEU 55 HD23 LEU 55 9.086 7.645 9.323 468 H GLU 56 H GLU 56 10.594 3.409 6.690 469 HA GLU 56 HA GLU 56 13.076 3.921 5.418 470 HB2 GLU 56 HB2 GLU 56 11.860 1.724 6.946 471 HB3 GLU 56 HB3 GLU 56 13.045 1.209 5.753 472 HG2 GLU 56 HG2 GLU 56 14.109 3.436 7.156 473 HG3 GLU 56 HG3 GLU 56 13.480 2.284 8.334 474 H GLU 57 H GLU 57 10.091 2.502 4.386 475 HA GLU 57 HA GLU 57 11.296 1.325 2.023 476 HB2 GLU 57 HB2 GLU 57 8.365 1.565 2.719 477 HB3 GLU 57 HB3 GLU 57 9.065 0.539 1.475 478 HG2 GLU 57 HG2 GLU 57 9.699 0.251 4.397 479 HG3 GLU 57 HG3 GLU 57 8.392 -0.618 3.594 480 H ILE 58 H ILE 58 9.605 4.191 2.939 481 HA ILE 58 HA ILE 58 9.261 5.002 0.168 482 HB ILE 58 HB ILE 58 8.753 7.051 2.210 483 HG12 ILE 58 HG12 ILE 58 7.534 4.348 2.433 484 HG13 ILE 58 HG13 ILE 58 7.815 5.562 3.674 485 HG21 ILE 58 HG21 ILE 58 6.817 5.956 0.201 486 HG22 ILE 58 HG22 ILE 58 8.171 6.972 -0.299 487 HG23 ILE 58 HG23 ILE 58 6.966 7.599 0.826 488 HD11 ILE 58 HD11 ILE 58 5.542 5.568 3.595 489 HD12 ILE 58 HD12 ILE 58 5.490 5.185 1.874 490 HD13 ILE 58 HD13 ILE 58 5.887 6.820 2.402 491 H LYS 59 H LYS 59 11.455 5.343 2.779 492 HA LYS 59 HA LYS 59 12.726 7.728 1.793 493 HB2 LYS 59 HB2 LYS 59 13.295 5.781 3.997 494 HB3 LYS 59 HB3 LYS 59 14.568 6.865 3.457 495 HG2 LYS 59 HG2 LYS 59 13.191 8.791 3.969 496 HG3 LYS 59 HG3 LYS 59 11.860 7.734 4.446 497 HD2 LYS 59 HD2 LYS 59 13.039 8.544 6.409 498 HD3 LYS 59 HD3 LYS 59 13.263 6.802 6.237 499 HE2 LYS 59 HE2 LYS 59 15.477 6.998 5.926 500 HE3 LYS 59 HE3 LYS 59 15.303 8.412 4.888 501 HZ1 LYS 59 HZ1 LYS 59 16.429 9.136 6.801 502 HZ2 LYS 59 HZ2 LYS 59 15.375 8.327 7.846 503 HZ3 LYS 59 HZ3 LYS 59 14.840 9.686 6.993 504 H ASN 60 H ASN 60 13.058 4.272 1.422 505 HA ASN 60 HA ASN 60 15.577 4.534 0.019 506 HB2 ASN 60 HB2 ASN 60 14.695 2.557 1.587 507 HB3 ASN 60 HB3 ASN 60 14.084 1.962 0.046 508 HD21 ASN 60 HD21 ASN 60 16.954 2.887 1.819 509 HD22 ASN 60 HD22 ASN 60 18.075 2.012 0.838 510 H HIS 61 H HIS 61 13.495 5.957 -1.137 511 HA HIS 61 HA HIS 61 13.582 5.079 -3.806 512 HB2 HIS 61 HB2 HIS 61 11.819 3.541 -2.618 513 HB3 HIS 61 HB3 HIS 61 10.781 4.957 -2.743 514 HD1 HIS 61 HD1 HIS 61 13.220 3.787 -5.389 515 HD2 HIS 61 HD2 HIS 61 9.126 4.106 -4.751 516 HE1 HIS 61 HE1 HIS 61 12.150 3.221 -7.593 517 HE2 HIS 61 HE2 HIS 61 9.671 3.344 -7.162 518 H ALA 62 H ALA 62 11.876 6.979 -1.367 519 HA ALA 62 HA ALA 62 12.318 9.412 -2.779 520 HB1 ALA 62 HB1 ALA 62 10.154 8.070 -3.735 521 HB2 ALA 62 HB2 ALA 62 10.364 9.820 -3.803 522 HB3 ALA 62 HB3 ALA 62 9.416 9.095 -2.504 523 H LYS 63 H LYS 63 13.264 9.575 -0.590 524 HA LYS 63 HA LYS 63 11.559 9.723 1.703 525 HB2 LYS 63 HB2 LYS 63 13.551 10.618 2.847 526 HB3 LYS 63 HB3 LYS 63 13.916 9.154 1.947 527 HG2 LYS 63 HG2 LYS 63 14.516 10.994 0.086 528 HG3 LYS 63 HG3 LYS 63 14.872 11.909 1.553 529 HD2 LYS 63 HD2 LYS 63 16.684 10.668 2.030 530 HD3 LYS 63 HD3 LYS 63 15.890 9.161 1.572 531 HE2 LYS 63 HE2 LYS 63 16.217 10.509 -0.828 532 HE3 LYS 63 HE3 LYS 63 17.705 10.843 0.056 533 HZ1 LYS 63 HZ1 LYS 63 16.677 8.090 -0.077 534 HZ2 LYS 63 HZ2 LYS 63 18.268 8.629 0.121 535 HZ3 LYS 63 HZ3 LYS 63 17.525 8.729 -1.395 536 H ALA 64 H ALA 64 10.326 11.357 2.345 537 HA ALA 64 HA ALA 64 9.265 13.380 2.339 538 HB1 ALA 64 HB1 ALA 64 12.169 14.102 2.510 539 HB2 ALA 64 HB2 ALA 64 10.951 14.081 3.786 540 HB3 ALA 64 HB3 ALA 64 10.912 15.339 2.549 541 H ILE 65 H ILE 65 8.802 12.591 -0.040 542 HA ILE 65 HA ILE 65 10.003 13.898 -2.204 543 HB ILE 65 HB ILE 65 7.817 13.348 -3.357 544 HG12 ILE 65 HG12 ILE 65 6.957 11.426 -1.408 545 HG13 ILE 65 HG13 ILE 65 6.954 13.033 -0.689 546 HG21 ILE 65 HG21 ILE 65 8.249 10.842 -3.152 547 HG22 ILE 65 HG22 ILE 65 9.528 11.290 -2.024 548 HG23 ILE 65 HG23 ILE 65 9.584 11.861 -3.692 549 HD11 ILE 65 HD11 ILE 65 5.131 13.618 -1.805 550 HD12 ILE 65 HD12 ILE 65 4.968 11.916 -2.239 551 HD13 ILE 65 HD13 ILE 65 5.785 13.032 -3.334 552 H VAL 66 H VAL 66 10.196 16.095 -1.492 553 HA VAL 66 HA VAL 66 9.547 18.263 -1.164 554 HB VAL 66 HB VAL 66 9.336 17.996 -3.610 555 HG11 VAL 66 HG11 VAL 66 6.486 17.320 -2.927 556 HG12 VAL 66 HG12 VAL 66 7.643 16.369 -3.858 557 HG13 VAL 66 HG13 VAL 66 6.986 17.861 -4.530 558 HG21 VAL 66 HG21 VAL 66 8.026 19.980 -1.971 559 HG22 VAL 66 HG22 VAL 66 7.242 19.832 -3.544 560 HG23 VAL 66 HG23 VAL 66 8.968 20.183 -3.448 561 H ALA 67 H ALA 67 8.275 16.554 0.654 562 HA ALA 67 HA ALA 67 5.741 17.996 1.050 563 HB1 ALA 67 HB1 ALA 67 5.251 15.609 2.276 564 HB2 ALA 67 HB2 ALA 67 6.177 15.106 0.862 565 HB3 ALA 67 HB3 ALA 67 4.701 16.048 0.660 566 H ARG 68 H ARG 68 4.999 17.166 3.481 567 HA ARG 68 HA ARG 68 7.005 18.345 5.183 568 HB2 ARG 68 HB2 ARG 68 4.338 17.233 6.025 569 HB3 ARG 68 HB3 ARG 68 5.320 18.422 6.870 570 HG2 ARG 68 HG2 ARG 68 4.905 20.051 5.130 571 HG3 ARG 68 HG3 ARG 68 3.996 18.857 4.201 572 HD2 ARG 68 HD2 ARG 68 2.289 19.982 5.245 573 HD3 ARG 68 HD3 ARG 68 2.579 18.677 6.394 574 HE ARG 68 HE ARG 68 3.304 20.224 7.918 575 HH11 ARG 68 HH11 ARG 68 3.200 21.710 4.762 576 HH12 ARG 68 HH12 ARG 68 3.509 23.303 5.364 577 HH21 ARG 68 HH21 ARG 68 3.710 22.319 8.712 578 HH22 ARG 68 HH22 ARG 68 3.798 23.650 7.606 579 H ASN 69 H ASN 69 5.043 15.435 5.509 580 HA ASN 69 HA ASN 69 7.386 13.900 6.302 581 HB2 ASN 69 HB2 ASN 69 4.941 14.043 8.077 582 HB3 ASN 69 HB3 ASN 69 6.407 13.115 8.376 583 HD21 ASN 69 HD21 ASN 69 4.802 15.948 9.009 584 HD22 ASN 69 HD22 ASN 69 6.123 16.880 9.618 585 H VAL 70 H VAL 70 6.740 11.537 6.684 586 HA VAL 70 HA VAL 70 5.099 10.739 4.442 587 HB VAL 70 HB VAL 70 7.297 9.643 4.971 588 HG11 VAL 70 HG11 VAL 70 7.152 9.467 7.363 589 HG12 VAL 70 HG12 VAL 70 7.265 7.847 6.676 590 HG13 VAL 70 HG13 VAL 70 5.710 8.455 7.243 591 HG21 VAL 70 HG21 VAL 70 6.650 7.667 4.024 592 HG22 VAL 70 HG22 VAL 70 5.229 8.655 3.684 593 HG23 VAL 70 HG23 VAL 70 5.212 7.520 5.036 594 H ASP 71 H ASP 71 4.767 11.016 7.849 595 HA ASP 71 HA ASP 71 2.653 9.115 8.136 596 HB2 ASP 71 HB2 ASP 71 4.094 10.987 9.867 597 HB3 ASP 71 HB3 ASP 71 2.390 10.822 10.276 598 H VAL 72 H VAL 72 2.849 12.594 7.785 599 HA VAL 72 HA VAL 72 0.065 13.081 8.005 600 HB VAL 72 HB VAL 72 2.066 14.784 6.518 601 HG11 VAL 72 HG11 VAL 72 0.131 15.845 6.037 602 HG12 VAL 72 HG12 VAL 72 0.340 16.501 7.661 603 HG13 VAL 72 HG13 VAL 72 -0.729 15.123 7.397 604 HG21 VAL 72 HG21 VAL 72 2.952 14.371 8.716 605 HG22 VAL 72 HG22 VAL 72 1.394 14.733 9.457 606 HG23 VAL 72 HG23 VAL 72 2.311 16.013 8.663 607 H HIS 73 H HIS 73 2.090 11.954 5.466 608 HA HIS 73 HA HIS 73 0.376 12.628 3.295 609 HB2 HIS 73 HB2 HIS 73 2.910 11.279 3.660 610 HB3 HIS 73 HB3 HIS 73 1.886 10.387 2.539 611 HD1 HIS 73 HD1 HIS 73 2.844 10.968 0.317 612 HD2 HIS 73 HD2 HIS 73 2.286 14.318 2.711 613 HE1 HIS 73 HE1 HIS 73 3.370 12.939 -1.152 614 HE2 HIS 73 HE2 HIS 73 2.928 14.958 0.288 615 H ILE 74 H ILE 74 0.561 10.035 5.580 616 HA ILE 74 HA ILE 74 -0.986 8.130 4.188 617 HB ILE 74 HB ILE 74 -0.810 8.464 7.184 618 HG12 ILE 74 HG12 ILE 74 0.900 6.616 5.539 619 HG13 ILE 74 HG13 ILE 74 1.392 8.280 5.832 620 HG21 ILE 74 HG21 ILE 74 -1.686 6.369 7.410 621 HG22 ILE 74 HG22 ILE 74 -1.100 5.832 5.836 622 HG23 ILE 74 HG23 ILE 74 -2.519 6.874 5.940 623 HD11 ILE 74 HD11 ILE 74 1.060 6.049 7.794 624 HD12 ILE 74 HD12 ILE 74 1.067 7.736 8.310 625 HD13 ILE 74 HD13 ILE 74 2.472 7.060 7.486 626 H ALA 75 H ALA 75 -1.783 10.935 6.066 627 HA ALA 75 HA ALA 75 -4.507 10.353 6.521 628 HB1 ALA 75 HB1 ALA 75 -3.842 12.036 7.906 629 HB2 ALA 75 HB2 ALA 75 -4.560 12.999 6.615 630 HB3 ALA 75 HB3 ALA 75 -2.812 12.777 6.682 631 H SER 76 H SER 76 -2.926 12.369 4.102 632 HA SER 76 HA SER 76 -5.276 12.968 2.653 633 HB2 SER 76 HB2 SER 76 -3.469 13.292 0.737 634 HB3 SER 76 HB3 SER 76 -3.567 14.424 2.086 635 HG SER 76 HG SER 76 -1.850 12.166 2.020 636 H LEU 77 H LEU 77 -3.195 10.231 2.753 637 HA LEU 77 HA LEU 77 -3.856 9.072 0.274 638 HB2 LEU 77 HB2 LEU 77 -2.455 8.299 2.683 639 HB3 LEU 77 HB3 LEU 77 -3.443 6.979 2.086 640 HG LEU 77 HG LEU 77 -2.261 7.682 -0.212 641 HD11 LEU 77 HD11 LEU 77 -1.020 9.498 0.951 642 HD12 LEU 77 HD12 LEU 77 0.012 8.331 0.125 643 HD13 LEU 77 HD13 LEU 77 -0.175 8.260 1.877 644 HD21 LEU 77 HD21 LEU 77 -1.203 5.686 -0.042 645 HD22 LEU 77 HD22 LEU 77 -2.246 5.526 1.369 646 HD23 LEU 77 HD23 LEU 77 -0.569 6.033 1.567 647 H ARG 78 H ARG 78 -5.278 8.986 3.456 648 HA ARG 78 HA ARG 78 -7.141 6.983 3.148 649 HB2 ARG 78 HB2 ARG 78 -6.670 9.097 4.988 650 HB3 ARG 78 HB3 ARG 78 -8.381 9.117 4.586 651 HG2 ARG 78 HG2 ARG 78 -8.792 7.244 5.731 652 HG3 ARG 78 HG3 ARG 78 -7.335 6.447 5.135 653 HD2 ARG 78 HD2 ARG 78 -6.240 6.889 7.021 654 HD3 ARG 78 HD3 ARG 78 -6.662 8.599 6.931 655 HE ARG 78 HE ARG 78 -8.801 6.915 7.863 656 HH11 ARG 78 HH11 ARG 78 -5.985 8.756 8.796 657 HH12 ARG 78 HH12 ARG 78 -6.512 8.969 10.431 658 HH21 ARG 78 HH21 ARG 78 -9.495 7.195 10.014 659 HH22 ARG 78 HH22 ARG 78 -8.504 8.083 11.123 660 H LYS 79 H LYS 79 -7.075 10.138 1.741 661 HA LYS 79 HA LYS 79 -9.843 10.170 1.010 662 HB2 LYS 79 HB2 LYS 79 -7.498 11.911 0.549 663 HB3 LYS 79 HB3 LYS 79 -8.787 11.999 -0.643 664 HG2 LYS 79 HG2 LYS 79 -9.893 13.374 0.687 665 HG3 LYS 79 HG3 LYS 79 -10.020 12.087 1.887 666 HD2 LYS 79 HD2 LYS 79 -7.752 12.763 2.717 667 HD3 LYS 79 HD3 LYS 79 -7.842 14.156 1.638 668 HE2 LYS 79 HE2 LYS 79 -8.516 14.744 3.914 669 HE3 LYS 79 HE3 LYS 79 -9.852 14.926 2.778 670 HZ1 LYS 79 HZ1 LYS 79 -11.014 13.277 3.744 671 HZ2 LYS 79 HZ2 LYS 79 -10.063 13.645 5.093 672 HZ3 LYS 79 HZ3 LYS 79 -9.645 12.345 4.095 673 H LYS 80 H LYS 80 -6.888 9.915 -0.887 674 HA LYS 80 HA LYS 80 -8.222 9.119 -3.248 675 HB2 LYS 80 HB2 LYS 80 -5.320 8.801 -2.493 676 HB3 LYS 80 HB3 LYS 80 -5.974 8.614 -4.114 677 HG2 LYS 80 HG2 LYS 80 -5.592 10.766 -4.447 678 HG3 LYS 80 HG3 LYS 80 -6.840 11.126 -3.253 679 HD2 LYS 80 HD2 LYS 80 -5.241 11.255 -1.498 680 HD3 LYS 80 HD3 LYS 80 -3.969 10.584 -2.521 681 HE2 LYS 80 HE2 LYS 80 -3.425 12.609 -3.259 682 HE3 LYS 80 HE3 LYS 80 -5.087 12.922 -3.754 683 HZ1 LYS 80 HZ1 LYS 80 -5.493 14.125 -1.922 684 HZ2 LYS 80 HZ2 LYS 80 -3.811 14.282 -1.841 685 HZ3 LYS 80 HZ3 LYS 80 -4.596 13.111 -0.906 686 H LEU 81 H LEU 81 -6.163 7.335 -1.028 687 HA LEU 81 HA LEU 81 -6.464 4.793 -2.103 688 HB2 LEU 81 HB2 LEU 81 -4.796 5.221 -0.433 689 HB3 LEU 81 HB3 LEU 81 -6.011 5.676 0.742 690 HG LEU 81 HG LEU 81 -6.717 3.440 1.049 691 HD11 LEU 81 HD11 LEU 81 -6.829 2.614 -1.168 692 HD12 LEU 81 HD12 LEU 81 -5.703 1.577 -0.293 693 HD13 LEU 81 HD13 LEU 81 -5.093 2.805 -1.401 694 HD21 LEU 81 HD21 LEU 81 -4.933 2.756 2.220 695 HD22 LEU 81 HD22 LEU 81 -4.197 4.259 1.666 696 HD23 LEU 81 HD23 LEU 81 -3.880 2.752 0.806 697 H GLY 82 H GLY 82 -8.327 6.288 0.545 698 HA2 GLY 82 HA2 GLY 82 -10.760 6.030 0.508 699 HA3 GLY 82 HA3 GLY 82 -10.506 4.392 -0.076 700 H ALA 83 H ALA 83 -11.546 3.310 1.542 701 HA ALA 83 HA ALA 83 -11.245 3.890 4.298 702 HB1 ALA 83 HB1 ALA 83 -13.160 2.720 4.022 703 HB2 ALA 83 HB2 ALA 83 -12.098 1.352 4.358 704 HB3 ALA 83 HB3 ALA 83 -12.512 1.759 2.693 705 H TYR 84 H TYR 84 -9.212 2.289 2.083 706 HA TYR 84 HA TYR 84 -7.962 0.505 3.942 707 HB2 TYR 84 HB2 TYR 84 -6.780 1.470 1.344 708 HB3 TYR 84 HB3 TYR 84 -6.464 -0.044 2.183 709 HD1 TYR 84 HD1 TYR 84 -8.605 -1.574 2.513 710 HD2 TYR 84 HD2 TYR 84 -8.216 1.441 -0.461 711 HE1 TYR 84 HE1 TYR 84 -10.344 -2.680 1.173 712 HE2 TYR 84 HE2 TYR 84 -9.952 0.345 -1.809 713 HH TYR 84 HH TYR 84 -10.958 -1.866 -2.074 714 H GLY 85 H GLY 85 -7.600 3.846 3.116 715 HA2 GLY 85 HA2 GLY 85 -4.902 4.223 3.843 716 HA3 GLY 85 HA3 GLY 85 -6.149 5.458 3.891 717 H SER 86 H SER 86 -7.842 3.990 5.718 718 HA SER 86 HA SER 86 -6.612 4.832 8.172 719 HB2 SER 86 HB2 SER 86 -8.746 5.026 8.839 720 HB3 SER 86 HB3 SER 86 -9.251 4.448 7.253 721 HG SER 86 HG SER 86 -10.064 2.863 8.376 722 H ARG 87 H ARG 87 -6.578 1.994 6.339 723 HA ARG 87 HA ARG 87 -6.651 -0.058 8.194 724 HB2 ARG 87 HB2 ARG 87 -6.215 0.031 5.561 725 HB3 ARG 87 HB3 ARG 87 -4.560 -0.220 6.102 726 HG2 ARG 87 HG2 ARG 87 -5.025 -2.379 6.182 727 HG3 ARG 87 HG3 ARG 87 -6.051 -2.037 7.568 728 HD2 ARG 87 HD2 ARG 87 -6.928 -2.033 4.683 729 HD3 ARG 87 HD3 ARG 87 -7.244 -3.314 5.850 730 HE ARG 87 HE ARG 87 -8.242 -0.988 6.958 731 HH11 ARG 87 HH11 ARG 87 -8.829 -2.915 4.108 732 HH12 ARG 87 HH12 ARG 87 -10.500 -2.475 4.003 733 HH21 ARG 87 HH21 ARG 87 -10.439 -0.408 6.821 734 HH22 ARG 87 HH22 ARG 87 -11.415 -1.051 5.542 735 H ILE 88 H ILE 88 -4.081 2.237 7.512 736 HA ILE 88 HA ILE 88 -1.953 0.972 8.815 737 HB ILE 88 HB ILE 88 -2.331 3.946 9.035 738 HG12 ILE 88 HG12 ILE 88 -2.955 3.642 6.776 739 HG13 ILE 88 HG13 ILE 88 -1.245 4.049 6.720 740 HG21 ILE 88 HG21 ILE 88 -0.141 3.993 9.454 741 HG22 ILE 88 HG22 ILE 88 0.225 2.921 8.103 742 HG23 ILE 88 HG23 ILE 88 -0.253 2.245 9.660 743 HD11 ILE 88 HD11 ILE 88 -2.588 1.446 6.179 744 HD12 ILE 88 HD12 ILE 88 -0.905 1.477 6.705 745 HD13 ILE 88 HD13 ILE 88 -1.383 2.313 5.227 746 H VAL 89 H VAL 89 -2.710 -0.081 10.684 747 HA VAL 89 HA VAL 89 -4.028 1.396 12.772 748 HB VAL 89 HB VAL 89 -2.840 -1.374 12.909 749 HG11 VAL 89 HG11 VAL 89 -3.762 0.182 14.954 750 HG12 VAL 89 HG12 VAL 89 -3.721 -1.581 14.955 751 HG13 VAL 89 HG13 VAL 89 -5.202 -0.734 14.507 752 HG21 VAL 89 HG21 VAL 89 -5.328 -1.994 12.585 753 HG22 VAL 89 HG22 VAL 89 -4.372 -1.553 11.172 754 HG23 VAL 89 HG23 VAL 89 -5.474 -0.380 11.891 755 H THR 90 H THR 90 -3.007 2.724 14.099 756 HA THR 90 HA THR 90 -0.159 2.383 14.624 757 HB THR 90 HB THR 90 -1.649 4.579 15.936 758 HG1 THR 90 HG1 THR 90 -2.715 4.782 14.065 759 HG21 THR 90 HG21 THR 90 0.195 5.927 15.242 760 HG22 THR 90 HG22 THR 90 0.795 4.646 14.188 761 HG23 THR 90 HG23 THR 90 0.822 4.433 15.938 762 H LEU 91 H LEU 91 -0.191 0.554 15.964 763 HA LEU 91 HA LEU 91 -1.761 0.569 18.390 764 HB2 LEU 91 HB2 LEU 91 0.278 -1.347 17.272 765 HB3 LEU 91 HB3 LEU 91 -0.496 -1.580 18.827 766 HG LEU 91 HG LEU 91 -2.215 -1.215 16.414 767 HD11 LEU 91 HD11 LEU 91 -0.310 -2.958 16.055 768 HD12 LEU 91 HD12 LEU 91 -1.975 -3.369 15.643 769 HD13 LEU 91 HD13 LEU 91 -1.272 -3.947 17.153 770 HD21 LEU 91 HD21 LEU 91 -2.426 -2.315 19.149 771 HD22 LEU 91 HD22 LEU 91 -3.344 -3.139 17.889 772 HD23 LEU 91 HD23 LEU 91 -3.604 -1.421 18.188 773 H ARG 92 H ARG 92 -1.152 1.578 20.180 774 HA ARG 92 HA ARG 92 1.461 2.658 20.520 775 HB2 ARG 92 HB2 ARG 92 0.626 3.253 22.813 776 HB3 ARG 92 HB3 ARG 92 -0.374 3.844 21.493 777 HG2 ARG 92 HG2 ARG 92 -2.044 2.239 21.899 778 HG3 ARG 92 HG3 ARG 92 -0.986 1.290 22.946 779 HD2 ARG 92 HD2 ARG 92 -1.003 3.039 24.613 780 HD3 ARG 92 HD3 ARG 92 -1.945 4.084 23.550 781 HE ARG 92 HE ARG 92 -3.348 1.688 23.948 782 HH11 ARG 92 HH11 ARG 92 -2.370 4.536 25.712 783 HH12 ARG 92 HH12 ARG 92 -3.712 4.474 26.803 784 HH21 ARG 92 HH21 ARG 92 -5.116 1.605 25.382 785 HH22 ARG 92 HH22 ARG 92 -5.271 2.810 26.617 786 H GLY 93 H GLY 93 2.481 0.488 20.156 787 HA2 GLY 93 HA2 GLY 93 3.906 -0.445 22.234 788 HA3 GLY 93 HA3 GLY 93 2.413 -1.363 22.386 789 H VAL 94 H VAL 94 1.883 -1.564 19.585 790 HA VAL 94 HA VAL 94 3.807 -3.664 18.920 791 HB VAL 94 HB VAL 94 1.332 -3.052 17.329 792 HG11 VAL 94 HG11 VAL 94 2.345 -4.694 16.168 793 HG12 VAL 94 HG12 VAL 94 1.589 -5.733 17.376 794 HG13 VAL 94 HG13 VAL 94 3.276 -5.252 17.557 795 HG21 VAL 94 HG21 VAL 94 0.682 -5.141 19.063 796 HG22 VAL 94 HG22 VAL 94 0.021 -3.506 19.066 797 HG23 VAL 94 HG23 VAL 94 1.406 -3.899 20.085 798 H GLY 95 H GLY 95 2.482 -0.645 17.698 799 HA2 GLY 95 HA2 GLY 95 4.098 0.783 16.492 800 HA3 GLY 95 HA3 GLY 95 4.565 -0.658 15.604 801 H TYR 96 H TYR 96 3.794 -0.726 13.614 802 HA TYR 96 HA TYR 96 1.150 0.461 13.099 803 HB2 TYR 96 HB2 TYR 96 3.724 0.972 11.841 804 HB3 TYR 96 HB3 TYR 96 2.505 0.496 10.667 805 HD1 TYR 96 HD1 TYR 96 0.094 1.719 12.032 806 HD2 TYR 96 HD2 TYR 96 3.995 3.240 11.299 807 HE1 TYR 96 HE1 TYR 96 -0.802 4.008 12.054 808 HE2 TYR 96 HE2 TYR 96 3.113 5.534 11.317 809 HH TYR 96 HH TYR 96 -0.141 6.253 11.096 810 H LEU 97 H LEU 97 -0.230 -1.175 12.802 811 HA LEU 97 HA LEU 97 0.655 -3.429 11.119 812 HB2 LEU 97 HB2 LEU 97 0.316 -4.191 13.380 813 HB3 LEU 97 HB3 LEU 97 -1.259 -3.422 13.449 814 HG LEU 97 HG LEU 97 -1.326 -5.201 11.250 815 HD11 LEU 97 HD11 LEU 97 -0.467 -7.192 11.906 816 HD12 LEU 97 HD12 LEU 97 -0.666 -6.842 13.623 817 HD13 LEU 97 HD13 LEU 97 0.678 -6.132 12.729 818 HD21 LEU 97 HD21 LEU 97 -2.525 -5.739 13.946 819 HD22 LEU 97 HD22 LEU 97 -3.179 -6.099 12.348 820 HD23 LEU 97 HD23 LEU 97 -3.113 -4.432 12.919 821 H PHE 98 H PHE 98 -0.098 -2.559 9.192 822 HA PHE 98 HA PHE 98 -2.724 -1.515 8.887 823 HB2 PHE 98 HB2 PHE 98 -2.226 -1.885 6.391 824 HB3 PHE 98 HB3 PHE 98 -1.200 -0.758 7.267 825 HD1 PHE 98 HD1 PHE 98 1.116 -1.297 7.746 826 HD2 PHE 98 HD2 PHE 98 -1.372 -3.991 5.589 827 HE1 PHE 98 HE1 PHE 98 3.106 -2.540 7.009 828 HE2 PHE 98 HE2 PHE 98 0.613 -5.243 4.855 829 HZ PHE 98 HZ PHE 98 2.857 -4.518 5.565 830 H SER 99 H SER 99 -3.751 -3.313 10.066 831 HA SER 99 HA SER 99 -3.926 -5.911 8.945 832 HB2 SER 99 HB2 SER 99 -4.533 -5.010 11.346 833 HB3 SER 99 HB3 SER 99 -6.132 -4.801 10.633 834 HG SER 99 HG SER 99 -5.911 -7.068 9.971 835 H ASP 100 H ASP 100 -4.879 -6.473 7.111 836 HA ASP 100 HA ASP 100 -7.388 -5.151 6.367 837 HB2 ASP 100 HB2 ASP 100 -5.584 -4.179 5.012 838 HB3 ASP 100 HB3 ASP 100 -5.136 -5.786 4.458 839 H ASP 101 H ASP 101 -5.498 -7.591 4.695 840 HA ASP 101 HA ASP 101 -7.189 -9.741 5.525 841 HB2 ASP 101 HB2 ASP 101 -8.512 -8.496 3.739 842 HB3 ASP 101 HB3 ASP 101 -7.283 -9.032 2.597 843 H GLY 102 H GLY 102 -5.207 -8.918 2.671 844 HA2 GLY 102 HA2 GLY 102 -2.863 -9.809 2.756 845 HA3 GLY 102 HA3 GLY 102 -3.592 -11.323 3.263 846 H ASP 103 H ASP 103 -5.422 -9.641 0.925 847 HA ASP 103 HA ASP 103 -5.029 -11.697 -0.997 848 HB2 ASP 103 HB2 ASP 103 -6.769 -9.357 -0.678 849 HB3 ASP 103 HB3 ASP 103 -6.336 -9.694 -2.352 850 H LYS 104 H LYS 104 -2.765 -11.580 -1.416 851 HA LYS 104 HA LYS 104 -1.888 -9.239 -2.908 852 HB2 LYS 104 HB2 LYS 104 0.367 -10.751 -2.562 853 HB3 LYS 104 HB3 LYS 104 -0.126 -9.422 -1.527 854 HG2 LYS 104 HG2 LYS 104 -1.112 -10.926 0.046 855 HG3 LYS 104 HG3 LYS 104 -0.878 -12.295 -1.042 856 HD2 LYS 104 HD2 LYS 104 1.572 -10.805 -0.432 857 HD3 LYS 104 HD3 LYS 104 0.824 -11.575 0.969 858 HE2 LYS 104 HE2 LYS 104 2.140 -13.292 0.234 859 HE3 LYS 104 HE3 LYS 104 0.665 -13.630 -0.672 860 HZ1 LYS 104 HZ1 LYS 104 3.089 -13.425 -1.776 861 HZ2 LYS 104 HZ2 LYS 104 2.530 -11.841 -1.979 862 HZ3 LYS 104 HZ3 LYS 104 1.646 -13.137 -2.612 863 H LYS 105 H LYS 105 -0.868 -9.451 -4.932 864 HA LYS 105 HA LYS 105 -1.959 -11.370 -6.656 865 HB2 LYS 105 HB2 LYS 105 -0.776 -9.029 -7.076 866 HB3 LYS 105 HB3 LYS 105 0.622 -10.055 -7.366 867 HG2 LYS 105 HG2 LYS 105 -0.430 -9.612 -9.457 868 HG3 LYS 105 HG3 LYS 105 -0.716 -11.304 -9.046 869 HD2 LYS 105 HD2 LYS 105 -2.909 -10.984 -9.213 870 HD3 LYS 105 HD3 LYS 105 -2.836 -9.752 -7.952 871 HE2 LYS 105 HE2 LYS 105 -3.016 -8.073 -9.425 872 HE3 LYS 105 HE3 LYS 105 -1.892 -8.823 -10.557 873 HZ1 LYS 105 HZ1 LYS 105 -4.010 -10.414 -10.823 874 HZ2 LYS 105 HZ2 LYS 105 -3.744 -9.050 -11.785 875 HZ3 LYS 105 HZ3 LYS 105 -4.788 -8.957 -10.458 876 H PHE 106 H PHE 106 -1.565 -13.423 -5.766 877 HA PHE 106 HA PHE 106 0.938 -14.443 -5.054 878 HB2 PHE 106 HB2 PHE 106 -1.725 -15.440 -5.340 879 HB3 PHE 106 HB3 PHE 106 -0.624 -16.564 -6.130 880 HD1 PHE 106 HD1 PHE 106 1.684 -16.777 -4.606 881 HD2 PHE 106 HD2 PHE 106 -2.273 -16.061 -3.213 882 HE1 PHE 106 HE1 PHE 106 2.287 -17.726 -2.417 883 HE2 PHE 106 HE2 PHE 106 -1.677 -17.007 -1.021 884 HZ PHE 106 HZ PHE 106 0.606 -17.841 -0.621 885 H SER 107 H SER 107 2.631 -14.264 -6.399 886 HA SER 107 HA SER 107 2.520 -14.383 -9.203 887 HB2 SER 107 HB2 SER 107 4.428 -13.666 -7.404 888 HB3 SER 107 HB3 SER 107 5.058 -15.223 -7.943 889 HG SER 107 HG SER 107 4.720 -14.369 -10.133 890 H GLN 108 H GLN 108 3.678 -16.020 -10.551 891 HA GLN 108 HA GLN 108 2.494 -18.544 -10.272 892 HB2 GLN 108 HB2 GLN 108 3.885 -17.202 -12.254 893 HB3 GLN 108 HB3 GLN 108 4.935 -18.559 -11.874 894 HG2 GLN 108 HG2 GLN 108 3.684 -19.806 -13.201 895 HG3 GLN 108 HG3 GLN 108 2.378 -19.649 -12.029 896 HE21 GLN 108 HE21 GLN 108 3.639 -18.610 -15.073 897 HE22 GLN 108 HE22 GLN 108 2.248 -17.726 -15.589 898 H GLN 109 H GLN 109 5.940 -17.673 -9.949 899 HA GLN 109 HA GLN 109 6.795 -20.161 -8.993 900 HB2 GLN 109 HB2 GLN 109 8.098 -17.983 -9.781 901 HB3 GLN 109 HB3 GLN 109 8.160 -17.685 -8.049 902 HG2 GLN 109 HG2 GLN 109 10.051 -18.877 -8.171 903 HG3 GLN 109 HG3 GLN 109 8.953 -20.255 -8.114 904 HE21 GLN 109 HE21 GLN 109 11.597 -19.223 -9.582 905 HE22 GLN 109 HE22 GLN 109 11.416 -19.943 -11.142 906 H ASP 110 H ASP 110 5.993 -21.139 -7.253 907 HA ASP 110 HA ASP 110 5.746 -19.578 -4.776 908 HB2 ASP 110 HB2 ASP 110 3.542 -20.265 -5.877 909 HB3 ASP 110 HB3 ASP 110 3.971 -21.914 -5.434 910 H THR 111 H THR 111 5.626 -22.958 -5.765 911 HA THR 111 HA THR 111 8.002 -23.616 -4.319 912 HB THR 111 HB THR 111 5.476 -24.934 -3.348 913 HG1 THR 111 HG1 THR 111 5.120 -22.991 -2.551 914 HG21 THR 111 HG21 THR 111 8.324 -24.976 -2.535 915 HG22 THR 111 HG22 THR 111 7.131 -26.275 -2.568 916 HG23 THR 111 HG23 THR 111 7.095 -25.077 -1.274 917 H LYS 112 H LYS 112 8.593 -25.895 -4.543 918 HA LYS 112 HA LYS 112 8.207 -26.837 -7.152 919 HB2 LYS 112 HB2 LYS 112 9.136 -28.411 -4.743 920 HB3 LYS 112 HB3 LYS 112 9.399 -28.840 -6.428 921 HG2 LYS 112 HG2 LYS 112 11.392 -27.867 -6.084 922 HG3 LYS 112 HG3 LYS 112 10.492 -26.382 -6.397 923 HD2 LYS 112 HD2 LYS 112 10.648 -25.692 -4.259 924 HD3 LYS 112 HD3 LYS 112 10.400 -27.315 -3.613 925 HE2 LYS 112 HE2 LYS 112 12.581 -26.885 -2.993 926 HE3 LYS 112 HE3 LYS 112 12.799 -27.752 -4.512 927 HZ1 LYS 112 HZ1 LYS 112 14.167 -25.698 -4.256 928 HZ2 LYS 112 HZ2 LYS 112 12.739 -24.793 -4.325 929 HZ3 LYS 112 HZ3 LYS 112 13.209 -25.733 -5.650 930 H LEU 113 H LEU 113 5.987 -26.995 -7.559 931 HA LEU 113 HA LEU 113 4.153 -28.436 -5.997 932 HB2 LEU 113 HB2 LEU 113 2.677 -28.327 -7.882 933 HB3 LEU 113 HB3 LEU 113 3.544 -26.808 -7.761 934 HG LEU 113 HG LEU 113 5.121 -28.262 -9.492 935 HD11 LEU 113 HD11 LEU 113 3.156 -28.818 -11.199 936 HD12 LEU 113 HD12 LEU 113 2.311 -29.170 -9.692 937 HD13 LEU 113 HD13 LEU 113 3.809 -30.015 -10.080 938 HD21 LEU 113 HD21 LEU 113 3.148 -26.073 -9.694 939 HD22 LEU 113 HD22 LEU 113 3.633 -26.838 -11.207 940 HD23 LEU 113 HD23 LEU 113 4.850 -26.117 -10.154 941 H SER 114 H SER 114 3.262 -30.513 -6.260 942 HA SER 114 HA SER 114 5.104 -32.569 -6.746 943 HB2 SER 114 HB2 SER 114 3.118 -32.789 -5.271 944 HB3 SER 114 HB3 SER 114 2.084 -32.779 -6.700 945 HG SER 114 HG SER 114 4.176 -34.650 -6.337 946 H LEU 115 H LEU 115 5.934 -33.105 -8.655 947 HA LEU 115 HA LEU 115 4.868 -32.417 -11.141 948 HB2 LEU 115 HB2 LEU 115 6.963 -34.347 -10.214 949 HB3 LEU 115 HB3 LEU 115 6.501 -34.290 -11.897 950 HG LEU 115 HG LEU 115 8.429 -32.940 -11.705 951 HD11 LEU 115 HD11 LEU 115 7.695 -30.827 -12.468 952 HD12 LEU 115 HD12 LEU 115 6.169 -30.961 -11.594 953 HD13 LEU 115 HD13 LEU 115 6.478 -31.992 -12.991 954 HD21 LEU 115 HD21 LEU 115 8.205 -32.724 -9.197 955 HD22 LEU 115 HD22 LEU 115 7.132 -31.358 -9.501 956 HD23 LEU 115 HD23 LEU 115 8.808 -31.301 -10.047 957 H GLU 116 H GLU 116 3.736 -33.566 -12.681 958 HA GLU 116 HA GLU 116 2.038 -35.673 -11.662 959 HB2 GLU 116 HB2 GLU 116 0.979 -35.508 -13.943 960 HB3 GLU 116 HB3 GLU 116 0.942 -34.031 -12.991 961 HG2 GLU 116 HG2 GLU 116 2.164 -32.906 -14.477 962 HG3 GLU 116 HG3 GLU 116 3.292 -34.242 -14.700 Start of MODEL 23 1 H1 HIS 1 H1 HIS 1 7.307 -19.351 5.502 2 H2 HIS 1 H2 HIS 1 8.619 -19.922 4.555 3 H3 HIS 1 H3 HIS 1 7.010 -20.365 4.153 4 HA HIS 1 HA HIS 1 8.283 -17.725 3.956 5 HB2 HIS 1 HB2 HIS 1 6.921 -19.508 1.924 6 HB3 HIS 1 HB3 HIS 1 7.745 -17.988 1.593 7 HD1 HIS 1 HD1 HIS 1 8.287 -21.541 1.596 8 HD2 HIS 1 HD2 HIS 1 10.641 -18.185 2.277 9 HE1 HIS 1 HE1 HIS 1 10.663 -22.322 1.332 10 HE2 HIS 1 HE2 HIS 1 12.071 -20.295 1.839 11 H SER 2 H SER 2 7.008 -15.955 3.904 12 HA SER 2 HA SER 2 4.171 -16.134 3.437 13 HB2 SER 2 HB2 SER 2 3.459 -15.261 5.590 14 HB3 SER 2 HB3 SER 2 4.362 -16.754 5.841 15 HG SER 2 HG SER 2 4.835 -14.658 7.114 16 H VAL 3 H VAL 3 4.059 -14.557 1.966 17 HA VAL 3 HA VAL 3 4.569 -11.840 2.772 18 HB VAL 3 HB VAL 3 6.806 -12.471 2.027 19 HG11 VAL 3 HG11 VAL 3 7.288 -13.616 0.151 20 HG12 VAL 3 HG12 VAL 3 6.050 -12.792 -0.797 21 HG13 VAL 3 HG13 VAL 3 5.604 -14.128 0.266 22 HG21 VAL 3 HG21 VAL 3 5.301 -10.605 0.206 23 HG22 VAL 3 HG22 VAL 3 7.057 -10.765 0.192 24 HG23 VAL 3 HG23 VAL 3 6.235 -10.198 1.645 25 HA PRO 4 HA PRO 4 0.944 -12.069 0.027 26 HB2 PRO 4 HB2 PRO 4 0.376 -9.423 1.173 27 HB3 PRO 4 HB3 PRO 4 -0.609 -10.888 1.193 28 HG2 PRO 4 HG2 PRO 4 0.594 -9.947 3.411 29 HG3 PRO 4 HG3 PRO 4 0.369 -11.682 3.122 30 HD2 PRO 4 HD2 PRO 4 2.826 -10.005 2.781 31 HD3 PRO 4 HD3 PRO 4 2.664 -11.648 3.437 32 H GLU 5 H GLU 5 -0.022 -10.344 -1.479 33 HA GLU 5 HA GLU 5 1.869 -8.349 -2.389 34 HB2 GLU 5 HB2 GLU 5 1.921 -10.870 -3.551 35 HB3 GLU 5 HB3 GLU 5 0.959 -9.907 -4.664 36 HG2 GLU 5 HG2 GLU 5 3.113 -8.279 -4.056 37 HG3 GLU 5 HG3 GLU 5 3.810 -9.894 -4.185 38 H SER 6 H SER 6 -0.961 -10.050 -3.621 39 HA SER 6 HA SER 6 -2.151 -7.706 -4.702 40 HB2 SER 6 HB2 SER 6 -3.411 -10.394 -4.103 41 HB3 SER 6 HB3 SER 6 -4.109 -9.135 -5.122 42 HG SER 6 HG SER 6 -2.236 -11.000 -5.725 43 H ILE 7 H ILE 7 -4.418 -7.025 -4.086 44 HA ILE 7 HA ILE 7 -4.820 -7.127 -1.175 45 HB ILE 7 HB ILE 7 -4.952 -4.648 -2.891 46 HG12 ILE 7 HG12 ILE 7 -3.287 -4.340 -0.611 47 HG13 ILE 7 HG13 ILE 7 -2.833 -5.853 -1.389 48 HG21 ILE 7 HG21 ILE 7 -5.199 -3.728 -0.377 49 HG22 ILE 7 HG22 ILE 7 -6.046 -5.268 -0.226 50 HG23 ILE 7 HG23 ILE 7 -6.569 -4.087 -1.426 51 HD11 ILE 7 HD11 ILE 7 -1.464 -4.180 -2.314 52 HD12 ILE 7 HD12 ILE 7 -2.829 -3.093 -2.563 53 HD13 ILE 7 HD13 ILE 7 -2.675 -4.553 -3.541 54 H ARG 8 H ARG 8 -6.960 -7.004 -0.479 55 HA ARG 8 HA ARG 8 -9.096 -6.622 -2.389 56 HB2 ARG 8 HB2 ARG 8 -8.401 -9.031 -2.625 57 HB3 ARG 8 HB3 ARG 8 -8.890 -9.270 -0.953 58 HG2 ARG 8 HG2 ARG 8 -11.045 -9.409 -1.493 59 HG3 ARG 8 HG3 ARG 8 -10.958 -7.999 -2.551 60 HD2 ARG 8 HD2 ARG 8 -9.785 -9.542 -4.215 61 HD3 ARG 8 HD3 ARG 8 -10.347 -10.869 -3.199 62 HE ARG 8 HE ARG 8 -11.927 -9.251 -4.980 63 HH11 ARG 8 HH11 ARG 8 -11.983 -11.335 -2.180 64 HH12 ARG 8 HH12 ARG 8 -13.648 -11.766 -2.380 65 HH21 ARG 8 HH21 ARG 8 -14.115 -9.817 -5.245 66 HH22 ARG 8 HH22 ARG 8 -14.859 -10.905 -4.121 67 H PHE 9 H PHE 9 -10.032 -5.056 -1.190 68 HA PHE 9 HA PHE 9 -10.954 -5.814 1.503 69 HB2 PHE 9 HB2 PHE 9 -10.775 -3.390 2.110 70 HB3 PHE 9 HB3 PHE 9 -9.224 -4.162 1.792 71 HD1 PHE 9 HD1 PHE 9 -8.288 -3.903 -0.600 72 HD2 PHE 9 HD2 PHE 9 -11.308 -1.405 1.053 73 HE1 PHE 9 HE1 PHE 9 -7.753 -2.168 -2.261 74 HE2 PHE 9 HE2 PHE 9 -10.782 0.335 -0.606 75 HZ PHE 9 HZ PHE 9 -9.003 -0.046 -2.266 76 H GLY 10 H GLY 10 -12.792 -6.569 0.090 77 HA2 GLY 10 HA2 GLY 10 -15.108 -6.170 -0.068 78 HA3 GLY 10 HA3 GLY 10 -14.793 -4.443 0.001 79 HA PRO 11 HA PRO 11 -16.084 -5.432 -4.353 80 HB2 PRO 11 HB2 PRO 11 -16.692 -2.528 -4.141 81 HB3 PRO 11 HB3 PRO 11 -17.666 -3.836 -4.821 82 HG2 PRO 11 HG2 PRO 11 -18.274 -2.775 -2.454 83 HG3 PRO 11 HG3 PRO 11 -18.439 -4.518 -2.743 84 HD2 PRO 11 HD2 PRO 11 -16.322 -3.035 -1.245 85 HD3 PRO 11 HD3 PRO 11 -17.059 -4.612 -0.895 86 H ASN 12 H ASN 12 -13.986 -3.057 -2.899 87 HA ASN 12 HA ASN 12 -12.811 -2.316 -5.455 88 HB2 ASN 12 HB2 ASN 12 -12.466 -1.373 -2.628 89 HB3 ASN 12 HB3 ASN 12 -11.246 -0.990 -3.838 90 HD21 ASN 12 HD21 ASN 12 -12.844 0.882 -2.451 91 HD22 ASN 12 HD22 ASN 12 -13.825 1.702 -3.612 92 H VAL 13 H VAL 13 -10.605 -2.606 -5.960 93 HA VAL 13 HA VAL 13 -9.187 -4.660 -4.405 94 HB VAL 13 HB VAL 13 -9.261 -4.649 -7.423 95 HG11 VAL 13 HG11 VAL 13 -7.285 -5.683 -6.568 96 HG12 VAL 13 HG12 VAL 13 -8.374 -6.964 -7.099 97 HG13 VAL 13 HG13 VAL 13 -8.213 -6.600 -5.381 98 HG21 VAL 13 HG21 VAL 13 -10.748 -6.557 -5.632 99 HG22 VAL 13 HG22 VAL 13 -10.841 -6.419 -7.387 100 HG23 VAL 13 HG23 VAL 13 -11.496 -5.139 -6.366 101 H PHE 14 H PHE 14 -6.845 -4.732 -4.877 102 HA PHE 14 HA PHE 14 -5.771 -2.319 -6.129 103 HB2 PHE 14 HB2 PHE 14 -6.124 -2.303 -3.445 104 HB3 PHE 14 HB3 PHE 14 -4.518 -3.013 -3.543 105 HD1 PHE 14 HD1 PHE 14 -6.530 -0.035 -4.292 106 HD2 PHE 14 HD2 PHE 14 -2.628 -1.731 -4.203 107 HE1 PHE 14 HE1 PHE 14 -5.552 2.207 -4.563 108 HE2 PHE 14 HE2 PHE 14 -1.644 0.507 -4.473 109 HZ PHE 14 HZ PHE 14 -3.107 2.479 -4.653 110 H TYR 15 H TYR 15 -4.031 -2.750 -7.320 111 HA TYR 15 HA TYR 15 -2.698 -5.345 -6.922 112 HB2 TYR 15 HB2 TYR 15 -2.961 -3.656 -9.417 113 HB3 TYR 15 HB3 TYR 15 -2.024 -5.142 -9.312 114 HD1 TYR 15 HD1 TYR 15 -5.462 -3.776 -9.012 115 HD2 TYR 15 HD2 TYR 15 -3.057 -7.236 -9.603 116 HE1 TYR 15 HE1 TYR 15 -7.475 -5.074 -9.569 117 HE2 TYR 15 HE2 TYR 15 -5.064 -8.542 -10.163 118 HH TYR 15 HH TYR 15 -7.359 -8.118 -11.015 119 H VAL 16 H VAL 16 -0.879 -5.097 -5.817 120 HA VAL 16 HA VAL 16 0.573 -2.763 -5.452 121 HB VAL 16 HB VAL 16 2.516 -4.363 -4.906 122 HG11 VAL 16 HG11 VAL 16 -0.007 -4.908 -3.376 123 HG12 VAL 16 HG12 VAL 16 0.786 -3.334 -3.334 124 HG13 VAL 16 HG13 VAL 16 1.642 -4.769 -2.769 125 HG21 VAL 16 HG21 VAL 16 1.541 -6.204 -6.339 126 HG22 VAL 16 HG22 VAL 16 0.340 -6.437 -5.069 127 HG23 VAL 16 HG23 VAL 16 2.052 -6.677 -4.719 128 H LEU 17 H LEU 17 0.569 -4.927 -8.147 129 HA LEU 17 HA LEU 17 3.025 -3.720 -9.206 130 HB2 LEU 17 HB2 LEU 17 1.471 -6.077 -10.271 131 HB3 LEU 17 HB3 LEU 17 3.041 -5.527 -10.824 132 HG LEU 17 HG LEU 17 2.662 -6.394 -7.979 133 HD11 LEU 17 HD11 LEU 17 3.591 -8.325 -10.052 134 HD12 LEU 17 HD12 LEU 17 1.862 -8.109 -9.782 135 HD13 LEU 17 HD13 LEU 17 2.903 -8.628 -8.456 136 HD21 LEU 17 HD21 LEU 17 5.091 -7.122 -8.487 137 HD22 LEU 17 HD22 LEU 17 4.743 -5.410 -8.250 138 HD23 LEU 17 HD23 LEU 17 4.947 -6.051 -9.880 139 H LYS 18 H LYS 18 -0.348 -4.387 -10.094 140 HA LYS 18 HA LYS 18 -0.243 -3.058 -12.590 141 HB2 LYS 18 HB2 LYS 18 -2.086 -4.629 -11.262 142 HB3 LYS 18 HB3 LYS 18 -2.869 -3.055 -11.308 143 HG2 LYS 18 HG2 LYS 18 -3.332 -3.244 -13.472 144 HG3 LYS 18 HG3 LYS 18 -1.687 -3.752 -13.859 145 HD2 LYS 18 HD2 LYS 18 -2.532 -5.997 -12.707 146 HD3 LYS 18 HD3 LYS 18 -4.093 -5.383 -13.255 147 HE2 LYS 18 HE2 LYS 18 -3.230 -5.209 -15.533 148 HE3 LYS 18 HE3 LYS 18 -1.660 -5.797 -14.990 149 HZ1 LYS 18 HZ1 LYS 18 -3.260 -7.738 -14.113 150 HZ2 LYS 18 HZ2 LYS 18 -2.501 -7.765 -15.624 151 HZ3 LYS 18 HZ3 LYS 18 -4.111 -7.261 -15.496 152 H LEU 19 H LEU 19 -1.109 -1.989 -9.334 153 HA LEU 19 HA LEU 19 -1.352 0.082 -8.432 154 HB2 LEU 19 HB2 LEU 19 -0.062 1.044 -10.988 155 HB3 LEU 19 HB3 LEU 19 -0.237 1.969 -9.509 156 HG LEU 19 HG LEU 19 1.335 -0.596 -9.614 157 HD11 LEU 19 HD11 LEU 19 2.844 0.446 -10.874 158 HD12 LEU 19 HD12 LEU 19 3.154 1.482 -9.480 159 HD13 LEU 19 HD13 LEU 19 2.014 1.995 -10.725 160 HD21 LEU 19 HD21 LEU 19 2.437 0.953 -7.699 161 HD22 LEU 19 HD22 LEU 19 1.153 -0.219 -7.402 162 HD23 LEU 19 HD23 LEU 19 0.758 1.486 -7.616 163 H THR 20 H THR 20 -3.520 -1.033 -9.822 164 HA THR 20 HA THR 20 -4.968 1.409 -10.509 165 HB THR 20 HB THR 20 -5.240 -1.055 -12.223 166 HG1 THR 20 HG1 THR 20 -3.235 -0.443 -12.727 167 HG21 THR 20 HG21 THR 20 -5.875 1.785 -12.941 168 HG22 THR 20 HG22 THR 20 -7.055 0.700 -12.205 169 HG23 THR 20 HG23 THR 20 -6.353 0.306 -13.774 170 H VAL 21 H VAL 21 -6.547 1.454 -9.052 171 HA VAL 21 HA VAL 21 -7.546 -0.862 -7.741 172 HB VAL 21 HB VAL 21 -8.845 1.862 -7.819 173 HG11 VAL 21 HG11 VAL 21 -8.901 0.115 -5.430 174 HG12 VAL 21 HG12 VAL 21 -9.885 -0.377 -6.808 175 HG13 VAL 21 HG13 VAL 21 -10.131 1.206 -6.069 176 HG21 VAL 21 HG21 VAL 21 -6.382 0.924 -6.498 177 HG22 VAL 21 HG22 VAL 21 -7.497 1.841 -5.486 178 HG23 VAL 21 HG23 VAL 21 -6.868 2.551 -6.973 179 H GLU 22 H GLU 22 -9.015 -2.259 -8.436 180 HA GLU 22 HA GLU 22 -10.536 -1.712 -10.831 181 HB2 GLU 22 HB2 GLU 22 -9.415 -3.964 -9.983 182 HB3 GLU 22 HB3 GLU 22 -10.980 -4.173 -9.208 183 HG2 GLU 22 HG2 GLU 22 -11.961 -4.730 -11.119 184 HG3 GLU 22 HG3 GLU 22 -11.243 -3.367 -11.976 185 H THR 23 H THR 23 -12.116 -0.235 -10.400 186 HA THR 23 HA THR 23 -13.856 -0.593 -8.102 187 HB THR 23 HB THR 23 -14.989 1.465 -9.372 188 HG1 THR 23 HG1 THR 23 -13.561 2.569 -10.608 189 HG21 THR 23 HG21 THR 23 -13.900 1.542 -7.144 190 HG22 THR 23 HG22 THR 23 -13.661 2.994 -8.117 191 HG23 THR 23 HG23 THR 23 -12.360 1.814 -7.959 192 HA PRO 24 HA PRO 24 -17.366 -2.593 -9.831 193 HB2 PRO 24 HB2 PRO 24 -18.902 -0.051 -9.542 194 HB3 PRO 24 HB3 PRO 24 -19.313 -1.679 -8.996 195 HG2 PRO 24 HG2 PRO 24 -18.457 0.141 -7.270 196 HG3 PRO 24 HG3 PRO 24 -17.925 -1.547 -7.144 197 HD2 PRO 24 HD2 PRO 24 -16.445 0.838 -8.149 198 HD3 PRO 24 HD3 PRO 24 -15.852 -0.574 -7.258 199 H GLU 25 H GLU 25 -16.864 0.711 -11.010 200 HA GLU 25 HA GLU 25 -18.310 0.369 -13.431 201 HB2 GLU 25 HB2 GLU 25 -17.149 2.501 -12.095 202 HB3 GLU 25 HB3 GLU 25 -16.170 2.351 -13.547 203 HG2 GLU 25 HG2 GLU 25 -17.799 3.112 -14.873 204 HG3 GLU 25 HG3 GLU 25 -19.048 2.197 -14.030 205 H GLY 26 H GLY 26 -14.825 0.353 -12.693 206 HA2 GLY 26 HA2 GLY 26 -14.257 -1.701 -14.554 207 HA3 GLY 26 HA3 GLY 26 -13.885 -0.140 -15.270 208 H SER 27 H SER 27 -12.460 1.299 -13.929 209 HA SER 27 HA SER 27 -10.762 0.044 -11.980 210 HB2 SER 27 HB2 SER 27 -9.440 0.894 -14.558 211 HB3 SER 27 HB3 SER 27 -8.718 0.028 -13.202 212 HG SER 27 HG SER 27 -10.291 -1.677 -13.729 213 H VAL 28 H VAL 28 -8.901 1.570 -11.394 214 HA VAL 28 HA VAL 28 -9.530 4.374 -11.934 215 HB VAL 28 HB VAL 28 -9.180 3.365 -9.112 216 HG11 VAL 28 HG11 VAL 28 -10.269 5.722 -8.761 217 HG12 VAL 28 HG12 VAL 28 -9.610 6.034 -10.367 218 HG13 VAL 28 HG13 VAL 28 -8.536 5.568 -9.048 219 HG21 VAL 28 HG21 VAL 28 -11.270 2.514 -9.659 220 HG22 VAL 28 HG22 VAL 28 -11.654 3.867 -10.722 221 HG23 VAL 28 HG23 VAL 28 -11.658 4.092 -8.973 222 H HIS 29 H HIS 29 -7.727 5.435 -12.403 223 HA HIS 29 HA HIS 29 -5.151 4.231 -11.868 224 HB2 HIS 29 HB2 HIS 29 -6.101 6.583 -13.467 225 HB3 HIS 29 HB3 HIS 29 -4.393 6.430 -13.067 226 HD1 HIS 29 HD1 HIS 29 -3.245 4.130 -13.921 227 HD2 HIS 29 HD2 HIS 29 -6.885 5.152 -15.646 228 HE1 HIS 29 HE1 HIS 29 -3.401 2.759 -16.024 229 HE2 HIS 29 HE2 HIS 29 -5.575 3.454 -17.092 230 H LEU 30 H LEU 30 -3.419 5.300 -10.778 231 HA LEU 30 HA LEU 30 -3.911 7.677 -9.249 232 HB2 LEU 30 HB2 LEU 30 -3.957 6.806 -7.085 233 HB3 LEU 30 HB3 LEU 30 -5.051 5.775 -7.984 234 HG LEU 30 HG LEU 30 -2.292 5.124 -6.978 235 HD11 LEU 30 HD11 LEU 30 -3.986 3.047 -6.419 236 HD12 LEU 30 HD12 LEU 30 -5.036 4.455 -6.255 237 HD13 LEU 30 HD13 LEU 30 -3.552 4.348 -5.309 238 HD21 LEU 30 HD21 LEU 30 -3.837 3.858 -9.196 239 HD22 LEU 30 HD22 LEU 30 -2.855 2.852 -8.130 240 HD23 LEU 30 HD23 LEU 30 -2.103 4.151 -9.056 241 H THR 31 H THR 31 -2.004 8.102 -7.722 242 HA THR 31 HA THR 31 0.389 7.871 -9.238 243 HB THR 31 HB THR 31 1.330 8.756 -6.901 244 HG1 THR 31 HG1 THR 31 -0.275 9.823 -5.762 245 HG21 THR 31 HG21 THR 31 1.542 10.382 -8.437 246 HG22 THR 31 HG22 THR 31 0.144 11.048 -7.594 247 HG23 THR 31 HG23 THR 31 -0.079 10.136 -9.087 248 HA PRO 32 HA PRO 32 1.624 3.927 -7.585 249 HB2 PRO 32 HB2 PRO 32 4.043 3.748 -8.760 250 HB3 PRO 32 HB3 PRO 32 2.540 3.555 -9.670 251 HG2 PRO 32 HG2 PRO 32 4.313 5.956 -9.434 252 HG3 PRO 32 HG3 PRO 32 3.532 5.280 -10.876 253 HD2 PRO 32 HD2 PRO 32 2.542 7.418 -9.510 254 HD3 PRO 32 HD3 PRO 32 1.516 6.278 -10.403 255 H SER 33 H SER 33 3.435 6.860 -7.204 256 HA SER 33 HA SER 33 5.338 5.784 -5.365 257 HB2 SER 33 HB2 SER 33 4.674 8.699 -5.381 258 HB3 SER 33 HB3 SER 33 6.248 7.912 -5.257 259 HG SER 33 HG SER 33 5.909 7.290 -7.509 260 H GLU 34 H GLU 34 2.225 7.309 -5.132 261 HA GLU 34 HA GLU 34 2.315 7.494 -2.265 262 HB2 GLU 34 HB2 GLU 34 0.391 8.209 -4.395 263 HB3 GLU 34 HB3 GLU 34 -0.315 7.767 -2.847 264 HG2 GLU 34 HG2 GLU 34 1.018 9.485 -1.742 265 HG3 GLU 34 HG3 GLU 34 1.732 9.926 -3.293 266 H SER 35 H SER 35 0.708 5.525 -4.679 267 HA SER 35 HA SER 35 -0.571 3.791 -2.859 268 HB2 SER 35 HB2 SER 35 -1.142 2.475 -4.710 269 HB3 SER 35 HB3 SER 35 -0.966 4.081 -5.412 270 HG SER 35 HG SER 35 0.744 1.858 -5.597 271 H GLY 36 H GLY 36 2.694 4.176 -3.792 272 HA2 GLY 36 HA2 GLY 36 3.603 1.524 -3.386 273 HA3 GLY 36 HA3 GLY 36 4.596 2.971 -3.340 274 H ILE 37 H ILE 37 2.976 4.223 -1.266 275 HA ILE 37 HA ILE 37 4.340 3.235 1.005 276 HB ILE 37 HB ILE 37 1.945 5.067 0.886 277 HG12 ILE 37 HG12 ILE 37 4.294 6.430 1.659 278 HG13 ILE 37 HG13 ILE 37 4.731 5.442 0.270 279 HG21 ILE 37 HG21 ILE 37 3.514 3.990 3.136 280 HG22 ILE 37 HG22 ILE 37 1.853 4.580 3.088 281 HG23 ILE 37 HG23 ILE 37 3.193 5.723 3.182 282 HD11 ILE 37 HD11 ILE 37 2.231 6.738 -0.209 283 HD12 ILE 37 HD12 ILE 37 3.748 6.856 -1.098 284 HD13 ILE 37 HD13 ILE 37 3.449 7.919 0.276 285 H LEU 38 H LEU 38 1.043 2.893 -0.132 286 HA LEU 38 HA LEU 38 0.165 1.336 2.087 287 HB2 LEU 38 HB2 LEU 38 -1.880 1.224 1.051 288 HB3 LEU 38 HB3 LEU 38 -1.222 2.669 0.313 289 HG LEU 38 HG LEU 38 -0.403 0.755 -1.453 290 HD11 LEU 38 HD11 LEU 38 -3.208 -0.066 -1.055 291 HD12 LEU 38 HD12 LEU 38 -2.024 -0.723 0.075 292 HD13 LEU 38 HD13 LEU 38 -1.828 -0.982 -1.659 293 HD21 LEU 38 HD21 LEU 38 -1.973 2.987 -1.486 294 HD22 LEU 38 HD22 LEU 38 -3.106 1.733 -1.985 295 HD23 LEU 38 HD23 LEU 38 -1.610 1.979 -2.885 296 H LYS 39 H LYS 39 1.822 0.695 -0.858 297 HA LYS 39 HA LYS 39 1.310 -2.104 -0.958 298 HB2 LYS 39 HB2 LYS 39 1.986 -0.770 -2.943 299 HB3 LYS 39 HB3 LYS 39 3.572 -0.546 -2.217 300 HG2 LYS 39 HG2 LYS 39 2.956 -3.332 -2.261 301 HG3 LYS 39 HG3 LYS 39 2.686 -2.651 -3.866 302 HD2 LYS 39 HD2 LYS 39 5.045 -1.486 -3.187 303 HD3 LYS 39 HD3 LYS 39 5.186 -3.044 -2.371 304 HE2 LYS 39 HE2 LYS 39 4.718 -4.195 -4.468 305 HE3 LYS 39 HE3 LYS 39 4.532 -2.646 -5.289 306 HZ1 LYS 39 HZ1 LYS 39 6.747 -2.317 -5.360 307 HZ2 LYS 39 HZ2 LYS 39 6.805 -4.004 -5.251 308 HZ3 LYS 39 HZ3 LYS 39 7.035 -3.059 -3.867 309 H ARG 40 H ARG 40 3.646 -0.051 0.594 310 HA ARG 40 HA ARG 40 5.458 -2.162 1.269 311 HB2 ARG 40 HB2 ARG 40 5.242 0.723 1.798 312 HB3 ARG 40 HB3 ARG 40 5.990 -0.198 3.095 313 HG2 ARG 40 HG2 ARG 40 7.725 0.579 1.680 314 HG3 ARG 40 HG3 ARG 40 7.559 -1.155 1.399 315 HD2 ARG 40 HD2 ARG 40 7.714 -0.332 -0.752 316 HD3 ARG 40 HD3 ARG 40 5.969 -0.425 -0.521 317 HE ARG 40 HE ARG 40 6.535 2.095 0.247 318 HH11 ARG 40 HH11 ARG 40 7.343 0.261 -2.611 319 HH12 ARG 40 HH12 ARG 40 7.395 1.653 -3.640 320 HH21 ARG 40 HH21 ARG 40 6.595 3.923 -1.105 321 HH22 ARG 40 HH22 ARG 40 6.971 3.733 -2.785 322 H LEU 41 H LEU 41 2.845 -0.508 2.901 323 HA LEU 41 HA LEU 41 3.164 -1.881 5.379 324 HB2 LEU 41 HB2 LEU 41 1.454 0.159 4.308 325 HB3 LEU 41 HB3 LEU 41 0.469 -1.060 5.094 326 HG LEU 41 HG LEU 41 1.738 -0.775 7.168 327 HD11 LEU 41 HD11 LEU 41 3.620 0.443 7.378 328 HD12 LEU 41 HD12 LEU 41 3.087 1.669 6.228 329 HD13 LEU 41 HD13 LEU 41 3.757 0.145 5.646 330 HD21 LEU 41 HD21 LEU 41 -0.258 0.684 6.487 331 HD22 LEU 41 HD22 LEU 41 0.933 1.960 6.236 332 HD23 LEU 41 HD23 LEU 41 0.746 1.230 7.830 333 H LEU 42 H LEU 42 1.760 -2.650 2.355 334 HA LEU 42 HA LEU 42 -0.067 -4.642 3.284 335 HB2 LEU 42 HB2 LEU 42 0.736 -3.485 0.747 336 HB3 LEU 42 HB3 LEU 42 0.568 -5.225 0.628 337 HG LEU 42 HG LEU 42 -1.468 -3.764 0.066 338 HD11 LEU 42 HD11 LEU 42 -1.599 -6.164 0.274 339 HD12 LEU 42 HD12 LEU 42 -3.009 -5.418 1.026 340 HD13 LEU 42 HD13 LEU 42 -1.696 -6.036 2.030 341 HD21 LEU 42 HD21 LEU 42 -1.035 -2.618 2.463 342 HD22 LEU 42 HD22 LEU 42 -2.211 -3.852 2.917 343 HD23 LEU 42 HD23 LEU 42 -2.612 -2.669 1.673 344 H ILE 43 H ILE 43 3.312 -4.527 2.592 345 HA ILE 43 HA ILE 43 3.666 -7.337 2.169 346 HB ILE 43 HB ILE 43 5.813 -5.465 3.141 347 HG12 ILE 43 HG12 ILE 43 4.798 -4.324 1.279 348 HG13 ILE 43 HG13 ILE 43 6.307 -5.039 0.725 349 HG21 ILE 43 HG21 ILE 43 6.956 -7.106 1.331 350 HG22 ILE 43 HG22 ILE 43 5.685 -8.156 1.958 351 HG23 ILE 43 HG23 ILE 43 6.870 -7.451 3.058 352 HD11 ILE 43 HD11 ILE 43 5.093 -6.848 -0.327 353 HD12 ILE 43 HD12 ILE 43 4.498 -5.290 -0.902 354 HD13 ILE 43 HD13 ILE 43 3.569 -6.207 0.285 355 H ASN 44 H ASN 44 3.536 -5.234 4.940 356 HA ASN 44 HA ASN 44 4.527 -7.301 6.726 357 HB2 ASN 44 HB2 ASN 44 3.521 -4.533 7.396 358 HB3 ASN 44 HB3 ASN 44 4.400 -5.616 8.470 359 HD21 ASN 44 HD21 ASN 44 6.371 -6.545 6.814 360 HD22 ASN 44 HD22 ASN 44 7.413 -5.242 6.367 361 H LYS 45 H LYS 45 1.595 -5.472 6.133 362 HA LYS 45 HA LYS 45 -0.565 -5.735 6.828 363 HB2 LYS 45 HB2 LYS 45 0.283 -8.588 6.337 364 HB3 LYS 45 HB3 LYS 45 -1.382 -8.120 6.653 365 HG2 LYS 45 HG2 LYS 45 -0.180 -6.527 4.552 366 HG3 LYS 45 HG3 LYS 45 -0.152 -8.253 4.188 367 HD2 LYS 45 HD2 LYS 45 -2.211 -7.652 3.351 368 HD3 LYS 45 HD3 LYS 45 -2.643 -8.156 4.987 369 HE2 LYS 45 HE2 LYS 45 -2.824 -5.926 5.732 370 HE3 LYS 45 HE3 LYS 45 -2.003 -5.300 4.303 371 HZ1 LYS 45 HZ1 LYS 45 -4.575 -6.733 4.077 372 HZ2 LYS 45 HZ2 LYS 45 -3.865 -5.654 2.985 373 HZ3 LYS 45 HZ3 LYS 45 -4.527 -5.079 4.431 374 H GLY 46 H GLY 46 -0.272 -4.936 8.941 375 HA2 GLY 46 HA2 GLY 46 -0.822 -5.093 11.171 376 HA3 GLY 46 HA3 GLY 46 -0.983 -6.824 10.991 377 H GLN 47 H GLN 47 1.242 -4.180 11.515 378 HA GLN 47 HA GLN 47 2.852 -5.678 13.298 379 HB2 GLN 47 HB2 GLN 47 3.698 -5.503 10.466 380 HB3 GLN 47 HB3 GLN 47 4.938 -5.141 11.659 381 HG2 GLN 47 HG2 GLN 47 5.271 -7.303 11.948 382 HG3 GLN 47 HG3 GLN 47 3.617 -7.473 12.531 383 HE21 GLN 47 HE21 GLN 47 5.342 -7.096 9.450 384 HE22 GLN 47 HE22 GLN 47 4.426 -8.285 8.596 385 H LEU 48 H LEU 48 4.443 -4.369 14.341 386 HA LEU 48 HA LEU 48 3.717 -1.626 14.487 387 HB2 LEU 48 HB2 LEU 48 5.092 -3.429 16.096 388 HB3 LEU 48 HB3 LEU 48 6.307 -2.245 15.652 389 HG LEU 48 HG LEU 48 5.147 -1.745 17.793 390 HD11 LEU 48 HD11 LEU 48 5.098 0.138 15.476 391 HD12 LEU 48 HD12 LEU 48 6.145 0.129 16.895 392 HD13 LEU 48 HD13 LEU 48 4.466 0.649 17.041 393 HD21 LEU 48 HD21 LEU 48 2.833 -2.256 16.204 394 HD22 LEU 48 HD22 LEU 48 2.761 -0.598 16.800 395 HD23 LEU 48 HD23 LEU 48 2.941 -1.936 17.934 396 H CYS 49 H CYS 49 4.209 -0.197 12.964 397 HA CYS 49 HA CYS 49 6.971 -0.092 11.985 398 HB2 CYS 49 HB2 CYS 49 4.559 0.213 10.188 399 HB3 CYS 49 HB3 CYS 49 6.250 0.271 9.702 400 HG CYS 49 HG CYS 49 4.964 -2.363 10.747 401 H LEU 50 H LEU 50 7.443 1.711 13.180 402 HA LEU 50 HA LEU 50 5.907 3.934 13.683 403 HB2 LEU 50 HB2 LEU 50 8.884 3.838 13.182 404 HB3 LEU 50 HB3 LEU 50 8.038 5.179 13.925 405 HG LEU 50 HG LEU 50 8.860 4.116 15.782 406 HD11 LEU 50 HD11 LEU 50 6.234 2.723 15.289 407 HD12 LEU 50 HD12 LEU 50 6.477 4.274 16.093 408 HD13 LEU 50 HD13 LEU 50 7.069 2.791 16.842 409 HD21 LEU 50 HD21 LEU 50 8.217 1.333 15.037 410 HD22 LEU 50 HD22 LEU 50 9.612 1.991 15.894 411 HD23 LEU 50 HD23 LEU 50 9.519 2.111 14.137 412 H ARG 51 H ARG 51 6.540 6.225 12.789 413 HA ARG 51 HA ARG 51 5.951 6.130 9.947 414 HB2 ARG 51 HB2 ARG 51 5.388 8.479 10.144 415 HB3 ARG 51 HB3 ARG 51 4.608 7.583 11.439 416 HG2 ARG 51 HG2 ARG 51 7.028 8.359 12.533 417 HG3 ARG 51 HG3 ARG 51 6.517 9.750 11.575 418 HD2 ARG 51 HD2 ARG 51 4.638 10.105 12.839 419 HD3 ARG 51 HD3 ARG 51 4.509 8.413 13.317 420 HE ARG 51 HE ARG 51 6.832 9.474 14.456 421 HH11 ARG 51 HH11 ARG 51 3.368 9.818 14.704 422 HH12 ARG 51 HH12 ARG 51 3.408 10.288 16.370 423 HH21 ARG 51 HH21 ARG 51 6.886 10.092 16.649 424 HH22 ARG 51 HH22 ARG 51 5.405 10.444 17.474 425 H LYS 52 H LYS 52 8.503 7.091 12.088 426 HA LYS 52 HA LYS 52 10.002 8.587 10.222 427 HB2 LYS 52 HB2 LYS 52 10.438 8.740 12.627 428 HB3 LYS 52 HB3 LYS 52 10.927 7.051 12.653 429 HG2 LYS 52 HG2 LYS 52 13.005 7.785 12.389 430 HG3 LYS 52 HG3 LYS 52 12.557 8.158 10.723 431 HD2 LYS 52 HD2 LYS 52 12.063 10.110 12.949 432 HD3 LYS 52 HD3 LYS 52 13.627 10.019 12.139 433 HE2 LYS 52 HE2 LYS 52 12.851 10.983 10.260 434 HE3 LYS 52 HE3 LYS 52 11.312 10.126 10.337 435 HZ1 LYS 52 HZ1 LYS 52 10.755 12.340 10.675 436 HZ2 LYS 52 HZ2 LYS 52 12.085 12.642 11.675 437 HZ3 LYS 52 HZ3 LYS 52 10.792 11.713 12.246 438 H HIS 53 H HIS 53 10.669 5.352 11.445 439 HA HIS 53 HA HIS 53 12.550 4.649 9.528 440 HB2 HIS 53 HB2 HIS 53 12.021 3.352 11.610 441 HB3 HIS 53 HB3 HIS 53 10.570 2.763 10.808 442 HD1 HIS 53 HD1 HIS 53 11.013 1.266 8.613 443 HD2 HIS 53 HD2 HIS 53 14.288 1.929 11.083 444 HE1 HIS 53 HE1 HIS 53 12.714 -0.465 7.954 445 HE2 HIS 53 HE2 HIS 53 14.723 0.020 9.395 446 H LEU 54 H LEU 54 9.115 4.899 9.275 447 HA LEU 54 HA LEU 54 8.704 3.257 7.036 448 HB2 LEU 54 HB2 LEU 54 6.944 4.376 8.500 449 HB3 LEU 54 HB3 LEU 54 7.249 5.837 7.580 450 HG LEU 54 HG LEU 54 6.781 3.962 5.609 451 HD11 LEU 54 HD11 LEU 54 5.345 3.211 8.082 452 HD12 LEU 54 HD12 LEU 54 5.861 2.217 6.719 453 HD13 LEU 54 HD13 LEU 54 4.412 3.214 6.585 454 HD21 LEU 54 HD21 LEU 54 5.787 5.957 5.200 455 HD22 LEU 54 HD22 LEU 54 5.283 6.177 6.876 456 HD23 LEU 54 HD23 LEU 54 4.375 5.099 5.816 457 H LEU 55 H LEU 55 10.095 6.400 7.451 458 HA LEU 55 HA LEU 55 9.898 7.300 4.787 459 HB2 LEU 55 HB2 LEU 55 11.166 9.084 5.436 460 HB3 LEU 55 HB3 LEU 55 10.547 8.548 6.979 461 HG LEU 55 HG LEU 55 13.332 8.586 5.957 462 HD11 LEU 55 HD11 LEU 55 13.796 9.520 8.003 463 HD12 LEU 55 HD12 LEU 55 12.465 8.686 8.807 464 HD13 LEU 55 HD13 LEU 55 12.135 10.055 7.744 465 HD21 LEU 55 HD21 LEU 55 13.723 6.423 6.399 466 HD22 LEU 55 HD22 LEU 55 12.201 6.224 7.262 467 HD23 LEU 55 HD23 LEU 55 13.599 6.898 8.091 468 H GLU 56 H GLU 56 11.769 4.794 6.129 469 HA GLU 56 HA GLU 56 13.863 4.986 4.128 470 HB2 GLU 56 HB2 GLU 56 13.413 3.456 6.598 471 HB3 GLU 56 HB3 GLU 56 14.220 2.551 5.325 472 HG2 GLU 56 HG2 GLU 56 15.315 5.222 5.700 473 HG3 GLU 56 HG3 GLU 56 15.428 4.210 7.140 474 H GLU 57 H GLU 57 10.802 3.487 4.473 475 HA GLU 57 HA GLU 57 11.384 1.457 2.472 476 HB2 GLU 57 HB2 GLU 57 8.690 2.030 3.693 477 HB3 GLU 57 HB3 GLU 57 9.243 0.540 2.940 478 HG2 GLU 57 HG2 GLU 57 10.822 1.390 5.255 479 HG3 GLU 57 HG3 GLU 57 9.142 0.993 5.611 480 H ILE 58 H ILE 58 9.878 4.551 2.740 481 HA ILE 58 HA ILE 58 8.721 4.337 0.075 482 HB ILE 58 HB ILE 58 8.736 6.885 1.649 483 HG12 ILE 58 HG12 ILE 58 7.997 4.952 3.134 484 HG13 ILE 58 HG13 ILE 58 6.834 6.254 2.931 485 HG21 ILE 58 HG21 ILE 58 7.918 6.773 -0.700 486 HG22 ILE 58 HG22 ILE 58 6.706 7.324 0.456 487 HG23 ILE 58 HG23 ILE 58 6.653 5.670 -0.158 488 HD11 ILE 58 HD11 ILE 58 5.336 4.735 2.360 489 HD12 ILE 58 HD12 ILE 58 6.559 3.465 2.367 490 HD13 ILE 58 HD13 ILE 58 6.276 4.405 0.904 491 H LYS 59 H LYS 59 11.524 5.483 1.678 492 HA LYS 59 HA LYS 59 12.322 7.274 -0.452 493 HB2 LYS 59 HB2 LYS 59 12.912 7.756 1.902 494 HB3 LYS 59 HB3 LYS 59 13.880 6.289 1.947 495 HG2 LYS 59 HG2 LYS 59 15.624 7.414 1.185 496 HG3 LYS 59 HG3 LYS 59 14.731 7.816 -0.283 497 HD2 LYS 59 HD2 LYS 59 14.056 9.871 0.534 498 HD3 LYS 59 HD3 LYS 59 14.245 9.379 2.218 499 HE2 LYS 59 HE2 LYS 59 16.526 9.716 2.199 500 HE3 LYS 59 HE3 LYS 59 16.647 9.514 0.452 501 HZ1 LYS 59 HZ1 LYS 59 16.081 11.664 0.069 502 HZ2 LYS 59 HZ2 LYS 59 16.799 11.867 1.587 503 HZ3 LYS 59 HZ3 LYS 59 15.115 11.794 1.453 504 H ASN 60 H ASN 60 12.722 3.947 0.451 505 HA ASN 60 HA ASN 60 14.926 3.571 -1.396 506 HB2 ASN 60 HB2 ASN 60 13.656 1.935 0.740 507 HB3 ASN 60 HB3 ASN 60 14.434 1.077 -0.586 508 HD21 ASN 60 HD21 ASN 60 15.991 0.258 0.828 509 HD22 ASN 60 HD22 ASN 60 17.286 1.237 1.418 510 H HIS 61 H HIS 61 12.469 4.433 -2.502 511 HA HIS 61 HA HIS 61 12.133 2.513 -4.561 512 HB2 HIS 61 HB2 HIS 61 10.673 1.739 -2.518 513 HB3 HIS 61 HB3 HIS 61 9.592 3.020 -3.054 514 HD1 HIS 61 HD1 HIS 61 8.923 2.782 -5.733 515 HD2 HIS 61 HD2 HIS 61 10.216 -0.627 -3.741 516 HE1 HIS 61 HE1 HIS 61 8.125 0.847 -7.126 517 HE2 HIS 61 HE2 HIS 61 8.828 -1.206 -5.845 518 H ALA 62 H ALA 62 10.620 5.247 -2.889 519 HA ALA 62 HA ALA 62 10.986 7.119 -4.891 520 HB1 ALA 62 HB1 ALA 62 8.530 7.270 -5.670 521 HB2 ALA 62 HB2 ALA 62 8.431 5.579 -5.173 522 HB3 ALA 62 HB3 ALA 62 9.582 6.066 -6.417 523 H LYS 63 H LYS 63 11.360 8.380 -3.065 524 HA LYS 63 HA LYS 63 9.457 8.707 -0.979 525 HB2 LYS 63 HB2 LYS 63 11.971 9.179 -0.896 526 HB3 LYS 63 HB3 LYS 63 11.603 10.694 -1.709 527 HG2 LYS 63 HG2 LYS 63 9.838 10.779 0.340 528 HG3 LYS 63 HG3 LYS 63 11.172 9.891 1.079 529 HD2 LYS 63 HD2 LYS 63 12.693 11.653 0.682 530 HD3 LYS 63 HD3 LYS 63 11.586 12.458 -0.433 531 HE2 LYS 63 HE2 LYS 63 10.044 12.875 1.443 532 HE3 LYS 63 HE3 LYS 63 11.204 12.129 2.541 533 HZ1 LYS 63 HZ1 LYS 63 12.220 14.282 0.873 534 HZ2 LYS 63 HZ2 LYS 63 12.538 13.927 2.496 535 HZ3 LYS 63 HZ3 LYS 63 11.114 14.735 2.072 536 H ALA 64 H ALA 64 7.684 8.978 -2.698 537 HA ALA 64 HA ALA 64 6.088 10.276 -3.669 538 HB1 ALA 64 HB1 ALA 64 5.650 12.443 -2.660 539 HB2 ALA 64 HB2 ALA 64 7.240 12.428 -1.897 540 HB3 ALA 64 HB3 ALA 64 6.019 11.250 -1.415 541 H ILE 65 H ILE 65 6.541 10.491 -5.795 542 HA ILE 65 HA ILE 65 8.631 12.335 -6.641 543 HB ILE 65 HB ILE 65 8.476 10.097 -7.703 544 HG12 ILE 65 HG12 ILE 65 7.992 11.483 -10.122 545 HG13 ILE 65 HG13 ILE 65 8.697 12.650 -9.007 546 HG21 ILE 65 HG21 ILE 65 5.802 10.473 -7.717 547 HG22 ILE 65 HG22 ILE 65 6.641 9.294 -8.726 548 HG23 ILE 65 HG23 ILE 65 6.195 10.866 -9.391 549 HD11 ILE 65 HD11 ILE 65 10.608 11.231 -8.665 550 HD12 ILE 65 HD12 ILE 65 10.366 11.491 -10.392 551 HD13 ILE 65 HD13 ILE 65 9.885 9.963 -9.654 552 H VAL 66 H VAL 66 6.240 13.349 -5.427 553 HA VAL 66 HA VAL 66 5.714 15.528 -7.088 554 HB VAL 66 HB VAL 66 4.445 13.775 -8.354 555 HG11 VAL 66 HG11 VAL 66 2.409 13.889 -6.158 556 HG12 VAL 66 HG12 VAL 66 3.659 12.646 -6.198 557 HG13 VAL 66 HG13 VAL 66 2.505 12.778 -7.524 558 HG21 VAL 66 HG21 VAL 66 3.368 16.328 -7.353 559 HG22 VAL 66 HG22 VAL 66 2.205 15.255 -8.132 560 HG23 VAL 66 HG23 VAL 66 3.643 15.781 -9.007 561 H ALA 67 H ALA 67 6.366 15.043 -4.389 562 HA ALA 67 HA ALA 67 4.325 16.647 -3.113 563 HB1 ALA 67 HB1 ALA 67 3.977 13.983 -2.853 564 HB2 ALA 67 HB2 ALA 67 3.483 15.164 -1.640 565 HB3 ALA 67 HB3 ALA 67 5.015 14.308 -1.465 566 H ARG 68 H ARG 68 5.126 16.461 -0.498 567 HA ARG 68 HA ARG 68 7.932 17.339 -0.639 568 HB2 ARG 68 HB2 ARG 68 5.792 18.855 0.076 569 HB3 ARG 68 HB3 ARG 68 6.309 18.252 1.644 570 HG2 ARG 68 HG2 ARG 68 8.568 19.119 1.213 571 HG3 ARG 68 HG3 ARG 68 8.006 19.765 -0.330 572 HD2 ARG 68 HD2 ARG 68 6.193 20.925 1.153 573 HD3 ARG 68 HD3 ARG 68 7.355 20.643 2.449 574 HE ARG 68 HE ARG 68 8.550 21.875 0.166 575 HH11 ARG 68 HH11 ARG 68 6.665 22.498 3.035 576 HH12 ARG 68 HH12 ARG 68 7.185 24.144 3.173 577 HH21 ARG 68 HH21 ARG 68 9.236 24.041 0.343 578 HH22 ARG 68 HH22 ARG 68 8.644 25.021 1.644 579 H ASN 69 H ASN 69 5.691 15.233 0.906 580 HA ASN 69 HA ASN 69 7.842 13.914 2.311 581 HB2 ASN 69 HB2 ASN 69 6.529 15.857 3.718 582 HB3 ASN 69 HB3 ASN 69 5.589 14.428 4.133 583 HD21 ASN 69 HD21 ASN 69 6.855 15.630 6.121 584 HD22 ASN 69 HD22 ASN 69 8.237 14.728 6.631 585 H VAL 70 H VAL 70 6.760 12.043 3.719 586 HA VAL 70 HA VAL 70 5.063 10.616 1.842 587 HB VAL 70 HB VAL 70 7.056 9.487 2.794 588 HG11 VAL 70 HG11 VAL 70 5.570 9.197 5.379 589 HG12 VAL 70 HG12 VAL 70 6.642 10.572 5.107 590 HG13 VAL 70 HG13 VAL 70 7.280 8.929 5.036 591 HG21 VAL 70 HG21 VAL 70 5.420 7.534 3.812 592 HG22 VAL 70 HG22 VAL 70 5.793 7.776 2.106 593 HG23 VAL 70 HG23 VAL 70 4.323 8.467 2.793 594 H ASP 71 H ASP 71 4.952 11.928 5.061 595 HA ASP 71 HA ASP 71 2.571 10.694 5.915 596 HB2 ASP 71 HB2 ASP 71 4.314 12.843 6.848 597 HB3 ASP 71 HB3 ASP 71 2.618 13.132 7.225 598 H VAL 72 H VAL 72 3.199 13.527 4.005 599 HA VAL 72 HA VAL 72 0.473 14.431 4.050 600 HB VAL 72 HB VAL 72 1.469 15.785 1.973 601 HG11 VAL 72 HG11 VAL 72 1.442 17.565 3.360 602 HG12 VAL 72 HG12 VAL 72 2.477 16.783 4.555 603 HG13 VAL 72 HG13 VAL 72 0.758 16.392 4.486 604 HG21 VAL 72 HG21 VAL 72 3.763 16.174 2.031 605 HG22 VAL 72 HG22 VAL 72 3.632 14.429 2.244 606 HG23 VAL 72 HG23 VAL 72 3.937 15.466 3.637 607 H HIS 73 H HIS 73 2.535 12.545 1.995 608 HA HIS 73 HA HIS 73 0.684 12.396 -0.187 609 HB2 HIS 73 HB2 HIS 73 3.391 11.675 0.267 610 HB3 HIS 73 HB3 HIS 73 2.541 10.204 -0.191 611 HD1 HIS 73 HD1 HIS 73 4.253 10.561 -2.314 612 HD2 HIS 73 HD2 HIS 73 0.982 13.108 -2.034 613 HE1 HIS 73 HE1 HIS 73 3.967 11.540 -4.611 614 HE2 HIS 73 HE2 HIS 73 1.921 13.001 -4.442 615 H ILE 74 H ILE 74 1.234 10.688 2.758 616 HA ILE 74 HA ILE 74 -0.174 8.312 2.048 617 HB ILE 74 HB ILE 74 1.462 8.975 4.119 618 HG12 ILE 74 HG12 ILE 74 1.165 6.723 3.375 619 HG13 ILE 74 HG13 ILE 74 0.782 6.755 5.094 620 HG21 ILE 74 HG21 ILE 74 0.309 8.974 6.190 621 HG22 ILE 74 HG22 ILE 74 -1.241 8.686 5.398 622 HG23 ILE 74 HG23 ILE 74 -0.418 10.232 5.190 623 HD11 ILE 74 HD11 ILE 74 -1.659 7.035 4.300 624 HD12 ILE 74 HD12 ILE 74 -0.897 5.446 4.209 625 HD13 ILE 74 HD13 ILE 74 -1.047 6.437 2.758 626 H ALA 75 H ALA 75 -0.965 11.364 3.514 627 HA ALA 75 HA ALA 75 -3.572 10.748 4.372 628 HB1 ALA 75 HB1 ALA 75 -3.914 13.145 4.556 629 HB2 ALA 75 HB2 ALA 75 -2.468 13.436 3.590 630 HB3 ALA 75 HB3 ALA 75 -2.328 12.698 5.185 631 H SER 76 H SER 76 -2.371 12.147 1.377 632 HA SER 76 HA SER 76 -5.007 12.377 0.251 633 HB2 SER 76 HB2 SER 76 -3.542 12.661 -1.926 634 HB3 SER 76 HB3 SER 76 -3.589 13.945 -0.720 635 HG SER 76 HG SER 76 -1.451 13.037 -1.580 636 H LEU 77 H LEU 77 -2.404 10.092 0.205 637 HA LEU 77 HA LEU 77 -3.464 8.450 -1.848 638 HB2 LEU 77 HB2 LEU 77 -1.088 8.399 -1.129 639 HB3 LEU 77 HB3 LEU 77 -1.593 7.701 0.397 640 HG LEU 77 HG LEU 77 -0.669 6.102 -1.330 641 HD11 LEU 77 HD11 LEU 77 -1.717 4.498 -0.218 642 HD12 LEU 77 HD12 LEU 77 -3.296 4.999 -0.822 643 HD13 LEU 77 HD13 LEU 77 -2.604 5.785 0.597 644 HD21 LEU 77 HD21 LEU 77 -3.338 6.014 -2.599 645 HD22 LEU 77 HD22 LEU 77 -1.752 5.629 -3.266 646 HD23 LEU 77 HD23 LEU 77 -2.252 7.312 -3.097 647 H ARG 78 H ARG 78 -4.019 8.850 1.535 648 HA ARG 78 HA ARG 78 -5.204 6.403 2.165 649 HB2 ARG 78 HB2 ARG 78 -5.099 9.085 3.322 650 HB3 ARG 78 HB3 ARG 78 -6.607 8.251 3.666 651 HG2 ARG 78 HG2 ARG 78 -5.637 6.816 5.084 652 HG3 ARG 78 HG3 ARG 78 -4.206 6.624 4.069 653 HD2 ARG 78 HD2 ARG 78 -3.655 7.662 6.217 654 HD3 ARG 78 HD3 ARG 78 -3.331 8.748 4.870 655 HE ARG 78 HE ARG 78 -5.072 10.119 5.565 656 HH11 ARG 78 HH11 ARG 78 -4.902 7.246 7.547 657 HH12 ARG 78 HH12 ARG 78 -5.943 7.883 8.774 658 HH21 ARG 78 HH21 ARG 78 -6.439 10.953 7.180 659 HH22 ARG 78 HH22 ARG 78 -6.815 9.985 8.567 660 H LYS 79 H LYS 79 -6.358 9.149 0.393 661 HA LYS 79 HA LYS 79 -9.102 8.204 0.422 662 HB2 LYS 79 HB2 LYS 79 -7.737 10.681 -0.262 663 HB3 LYS 79 HB3 LYS 79 -8.940 10.237 -1.465 664 HG2 LYS 79 HG2 LYS 79 -10.689 10.322 0.085 665 HG3 LYS 79 HG3 LYS 79 -9.586 10.280 1.461 666 HD2 LYS 79 HD2 LYS 79 -9.240 12.501 1.404 667 HD3 LYS 79 HD3 LYS 79 -9.157 12.538 -0.359 668 HE2 LYS 79 HE2 LYS 79 -11.378 12.950 -0.591 669 HE3 LYS 79 HE3 LYS 79 -11.811 12.020 0.842 670 HZ1 LYS 79 HZ1 LYS 79 -10.336 14.527 1.200 671 HZ2 LYS 79 HZ2 LYS 79 -11.480 13.797 2.210 672 HZ3 LYS 79 HZ3 LYS 79 -11.982 14.614 0.817 673 H LYS 80 H LYS 80 -6.306 7.819 -1.503 674 HA LYS 80 HA LYS 80 -7.669 7.217 -3.939 675 HB2 LYS 80 HB2 LYS 80 -4.878 7.302 -3.014 676 HB3 LYS 80 HB3 LYS 80 -5.211 6.117 -4.270 677 HG2 LYS 80 HG2 LYS 80 -5.254 7.685 -5.832 678 HG3 LYS 80 HG3 LYS 80 -6.433 8.635 -4.925 679 HD2 LYS 80 HD2 LYS 80 -4.681 9.691 -3.655 680 HD3 LYS 80 HD3 LYS 80 -3.465 8.643 -4.388 681 HE2 LYS 80 HE2 LYS 80 -4.594 9.719 -6.597 682 HE3 LYS 80 HE3 LYS 80 -4.793 11.047 -5.454 683 HZ1 LYS 80 HZ1 LYS 80 -2.728 11.423 -6.411 684 HZ2 LYS 80 HZ2 LYS 80 -2.294 9.789 -6.395 685 HZ3 LYS 80 HZ3 LYS 80 -2.334 10.667 -4.950 686 H LEU 81 H LEU 81 -5.662 5.239 -1.827 687 HA LEU 81 HA LEU 81 -6.487 2.778 -2.894 688 HB2 LEU 81 HB2 LEU 81 -5.041 1.838 -1.419 689 HB3 LEU 81 HB3 LEU 81 -4.437 3.475 -1.407 690 HG LEU 81 HG LEU 81 -6.318 2.365 0.677 691 HD11 LEU 81 HD11 LEU 81 -4.207 1.182 0.778 692 HD12 LEU 81 HD12 LEU 81 -4.338 2.302 2.133 693 HD13 LEU 81 HD13 LEU 81 -3.323 2.707 0.750 694 HD21 LEU 81 HD21 LEU 81 -5.941 4.943 0.056 695 HD22 LEU 81 HD22 LEU 81 -4.588 4.709 1.160 696 HD23 LEU 81 HD23 LEU 81 -6.234 4.381 1.699 697 H GLY 82 H GLY 82 -7.808 4.772 -0.333 698 HA2 GLY 82 HA2 GLY 82 -10.190 4.523 0.115 699 HA3 GLY 82 HA3 GLY 82 -9.976 2.787 -0.040 700 H ALA 83 H ALA 83 -10.865 2.349 1.974 701 HA ALA 83 HA ALA 83 -10.155 3.596 4.377 702 HB1 ALA 83 HB1 ALA 83 -10.982 0.724 4.277 703 HB2 ALA 83 HB2 ALA 83 -12.116 2.004 3.845 704 HB3 ALA 83 HB3 ALA 83 -11.402 1.966 5.457 705 H TYR 84 H TYR 84 -8.482 1.270 2.496 706 HA TYR 84 HA TYR 84 -6.939 -0.012 4.443 707 HB2 TYR 84 HB2 TYR 84 -6.933 0.233 1.559 708 HB3 TYR 84 HB3 TYR 84 -5.290 0.278 2.187 709 HD1 TYR 84 HD1 TYR 84 -8.156 -1.602 3.608 710 HD2 TYR 84 HD2 TYR 84 -4.476 -1.816 1.482 711 HE1 TYR 84 HE1 TYR 84 -8.178 -4.051 3.829 712 HE2 TYR 84 HE2 TYR 84 -4.489 -4.266 1.697 713 HH TYR 84 HH TYR 84 -6.355 -6.077 2.025 714 H GLY 85 H GLY 85 -6.735 3.159 3.038 715 HA2 GLY 85 HA2 GLY 85 -4.065 3.775 3.724 716 HA3 GLY 85 HA3 GLY 85 -5.351 4.944 3.454 717 H SER 86 H SER 86 -7.127 4.363 5.428 718 HA SER 86 HA SER 86 -6.009 5.632 7.668 719 HB2 SER 86 HB2 SER 86 -8.271 4.374 8.637 720 HB3 SER 86 HB3 SER 86 -8.228 5.961 7.871 721 HG SER 86 HG SER 86 -9.412 3.732 7.011 722 H ARG 87 H ARG 87 -5.852 2.383 6.668 723 HA ARG 87 HA ARG 87 -5.894 0.908 8.992 724 HB2 ARG 87 HB2 ARG 87 -5.504 0.172 6.554 725 HB3 ARG 87 HB3 ARG 87 -3.799 0.420 6.912 726 HG2 ARG 87 HG2 ARG 87 -3.698 -1.560 7.868 727 HG3 ARG 87 HG3 ARG 87 -4.931 -1.095 9.028 728 HD2 ARG 87 HD2 ARG 87 -5.386 -2.295 6.299 729 HD3 ARG 87 HD3 ARG 87 -5.625 -3.093 7.853 730 HE ARG 87 HE ARG 87 -7.204 -0.805 7.847 731 HH11 ARG 87 HH11 ARG 87 -6.994 -3.819 6.098 732 HH12 ARG 87 HH12 ARG 87 -8.689 -3.877 5.748 733 HH21 ARG 87 HH21 ARG 87 -9.434 -0.883 7.390 734 HH22 ARG 87 HH22 ARG 87 -10.074 -2.211 6.482 735 H ILE 88 H ILE 88 -3.551 3.278 8.042 736 HA ILE 88 HA ILE 88 -1.407 2.341 9.664 737 HB ILE 88 HB ILE 88 -1.644 5.277 9.261 738 HG12 ILE 88 HG12 ILE 88 -0.528 4.041 6.881 739 HG13 ILE 88 HG13 ILE 88 -2.224 3.625 7.072 740 HG21 ILE 88 HG21 ILE 88 0.620 5.227 9.306 741 HG22 ILE 88 HG22 ILE 88 0.716 3.704 8.425 742 HG23 ILE 88 HG23 ILE 88 0.320 3.704 10.143 743 HD11 ILE 88 HD11 ILE 88 -0.986 6.334 6.785 744 HD12 ILE 88 HD12 ILE 88 -2.625 6.116 7.398 745 HD13 ILE 88 HD13 ILE 88 -2.209 5.564 5.776 746 H VAL 89 H VAL 89 -2.319 1.792 11.662 747 HA VAL 89 HA VAL 89 -3.869 3.593 13.212 748 HB VAL 89 HB VAL 89 -2.273 1.244 14.234 749 HG11 VAL 89 HG11 VAL 89 -3.724 1.229 16.085 750 HG12 VAL 89 HG12 VAL 89 -4.855 2.340 15.312 751 HG13 VAL 89 HG13 VAL 89 -3.282 2.922 15.858 752 HG21 VAL 89 HG21 VAL 89 -5.044 1.320 13.046 753 HG22 VAL 89 HG22 VAL 89 -4.359 -0.055 13.913 754 HG23 VAL 89 HG23 VAL 89 -3.634 0.482 12.398 755 H THR 90 H THR 90 -3.104 5.455 13.949 756 HA THR 90 HA THR 90 -0.309 5.690 14.743 757 HB THR 90 HB THR 90 -1.215 7.459 13.337 758 HG1 THR 90 HG1 THR 90 -0.560 9.174 14.587 759 HG21 THR 90 HG21 THR 90 -3.545 7.197 14.813 760 HG22 THR 90 HG22 THR 90 -3.197 8.407 13.578 761 HG23 THR 90 HG23 THR 90 -2.893 8.769 15.277 762 H LEU 91 H LEU 91 -0.546 4.305 16.611 763 HA LEU 91 HA LEU 91 -2.298 4.957 18.749 764 HB2 LEU 91 HB2 LEU 91 -0.376 2.930 18.136 765 HB3 LEU 91 HB3 LEU 91 -0.046 3.546 19.743 766 HG LEU 91 HG LEU 91 -2.881 2.959 19.246 767 HD11 LEU 91 HD11 LEU 91 -2.806 0.743 18.849 768 HD12 LEU 91 HD12 LEU 91 -1.304 0.522 19.746 769 HD13 LEU 91 HD13 LEU 91 -1.262 1.144 18.096 770 HD21 LEU 91 HD21 LEU 91 -2.893 2.569 21.464 771 HD22 LEU 91 HD22 LEU 91 -1.363 3.445 21.420 772 HD23 LEU 91 HD23 LEU 91 -1.370 1.681 21.425 773 H ARG 92 H ARG 92 -2.041 6.248 20.477 774 HA ARG 92 HA ARG 92 0.064 8.191 20.431 775 HB2 ARG 92 HB2 ARG 92 -2.526 8.059 21.473 776 HB3 ARG 92 HB3 ARG 92 -1.486 8.164 22.885 777 HG2 ARG 92 HG2 ARG 92 -1.240 10.337 22.569 778 HG3 ARG 92 HG3 ARG 92 -0.573 10.049 20.962 779 HD2 ARG 92 HD2 ARG 92 -2.462 10.689 19.954 780 HD3 ARG 92 HD3 ARG 92 -3.465 9.741 21.051 781 HE ARG 92 HE ARG 92 -2.932 12.538 21.201 782 HH11 ARG 92 HH11 ARG 92 -3.607 9.709 23.130 783 HH12 ARG 92 HH12 ARG 92 -4.291 10.611 24.439 784 HH21 ARG 92 HH21 ARG 92 -3.833 13.727 22.922 785 HH22 ARG 92 HH22 ARG 92 -4.421 12.892 24.321 786 H GLY 93 H GLY 93 1.775 6.497 20.626 787 HA2 GLY 93 HA2 GLY 93 3.340 6.583 22.732 788 HA3 GLY 93 HA3 GLY 93 2.131 5.464 23.343 789 H VAL 94 H VAL 94 1.715 4.262 20.687 790 HA VAL 94 HA VAL 94 3.990 2.439 20.775 791 HB VAL 94 HB VAL 94 1.612 2.100 18.970 792 HG11 VAL 94 HG11 VAL 94 2.183 -0.347 19.755 793 HG12 VAL 94 HG12 VAL 94 3.753 0.375 20.108 794 HG13 VAL 94 HG13 VAL 94 3.102 0.437 18.471 795 HG21 VAL 94 HG21 VAL 94 0.804 2.594 21.275 796 HG22 VAL 94 HG22 VAL 94 1.713 1.194 21.843 797 HG23 VAL 94 HG23 VAL 94 0.388 0.980 20.699 798 H GLY 95 H GLY 95 2.284 4.527 18.483 799 HA2 GLY 95 HA2 GLY 95 3.822 5.785 16.967 800 HA3 GLY 95 HA3 GLY 95 4.576 4.232 16.640 801 H TYR 96 H TYR 96 3.984 3.316 14.803 802 HA TYR 96 HA TYR 96 1.274 3.850 13.791 803 HB2 TYR 96 HB2 TYR 96 3.835 4.344 12.550 804 HB3 TYR 96 HB3 TYR 96 2.902 3.212 11.584 805 HD1 TYR 96 HD1 TYR 96 0.172 4.566 12.566 806 HD2 TYR 96 HD2 TYR 96 3.755 6.000 10.773 807 HE1 TYR 96 HE1 TYR 96 -1.071 6.454 11.606 808 HE2 TYR 96 HE2 TYR 96 2.519 7.892 9.808 809 HH TYR 96 HH TYR 96 0.113 8.384 9.164 810 H LEU 97 H LEU 97 0.140 2.028 14.036 811 HA LEU 97 HA LEU 97 1.478 -0.518 13.392 812 HB2 LEU 97 HB2 LEU 97 0.876 -0.692 15.629 813 HB3 LEU 97 HB3 LEU 97 -0.625 0.173 15.408 814 HG LEU 97 HG LEU 97 -0.578 -2.321 13.909 815 HD11 LEU 97 HD11 LEU 97 0.502 -2.393 16.578 816 HD12 LEU 97 HD12 LEU 97 0.365 -3.676 15.375 817 HD13 LEU 97 HD13 LEU 97 -0.986 -3.332 16.455 818 HD21 LEU 97 HD21 LEU 97 -2.450 -0.643 14.950 819 HD22 LEU 97 HD22 LEU 97 -2.477 -1.974 16.106 820 HD23 LEU 97 HD23 LEU 97 -2.762 -2.288 14.394 821 H PHE 98 H PHE 98 0.420 -2.048 12.198 822 HA PHE 98 HA PHE 98 -1.740 -1.027 10.510 823 HB2 PHE 98 HB2 PHE 98 0.406 -2.032 9.541 824 HB3 PHE 98 HB3 PHE 98 -0.183 -3.583 10.121 825 HD1 PHE 98 HD1 PHE 98 -2.544 -4.289 9.315 826 HD2 PHE 98 HD2 PHE 98 -0.186 -1.280 7.442 827 HE1 PHE 98 HE1 PHE 98 -3.844 -4.563 7.245 828 HE2 PHE 98 HE2 PHE 98 -1.483 -1.549 5.369 829 HZ PHE 98 HZ PHE 98 -3.315 -3.193 5.268 830 H SER 99 H SER 99 -3.608 -1.371 11.530 831 HA SER 99 HA SER 99 -4.361 -3.050 13.468 832 HB2 SER 99 HB2 SER 99 -6.579 -2.663 12.907 833 HB3 SER 99 HB3 SER 99 -5.758 -1.339 12.087 834 HG SER 99 HG SER 99 -6.123 -2.259 10.180 835 H ASP 100 H ASP 100 -5.437 -5.049 13.654 836 HA ASP 100 HA ASP 100 -4.182 -7.170 12.376 837 HB2 ASP 100 HB2 ASP 100 -6.205 -6.809 14.391 838 HB3 ASP 100 HB3 ASP 100 -6.636 -8.150 13.336 839 H ASP 101 H ASP 101 -6.915 -5.339 11.391 840 HA ASP 101 HA ASP 101 -8.503 -6.943 9.924 841 HB2 ASP 101 HB2 ASP 101 -8.004 -4.218 9.979 842 HB3 ASP 101 HB3 ASP 101 -7.704 -4.654 8.300 843 H GLY 102 H GLY 102 -5.787 -5.319 8.279 844 HA2 GLY 102 HA2 GLY 102 -4.820 -5.916 6.231 845 HA3 GLY 102 HA3 GLY 102 -4.235 -7.198 7.275 846 H ASP 103 H ASP 103 -6.811 -6.326 5.012 847 HA ASP 103 HA ASP 103 -7.929 -8.906 4.802 848 HB2 ASP 103 HB2 ASP 103 -8.523 -6.386 3.803 849 HB3 ASP 103 HB3 ASP 103 -8.136 -7.323 2.363 850 H LYS 104 H LYS 104 -6.240 -10.393 4.565 851 HA LYS 104 HA LYS 104 -4.173 -10.280 2.702 852 HB2 LYS 104 HB2 LYS 104 -5.302 -12.241 4.489 853 HB3 LYS 104 HB3 LYS 104 -4.869 -12.997 2.962 854 HG2 LYS 104 HG2 LYS 104 -2.942 -11.220 4.410 855 HG3 LYS 104 HG3 LYS 104 -3.120 -12.924 4.833 856 HD2 LYS 104 HD2 LYS 104 -2.904 -12.704 1.996 857 HD3 LYS 104 HD3 LYS 104 -1.595 -11.779 2.735 858 HE2 LYS 104 HE2 LYS 104 -0.822 -14.016 2.398 859 HE3 LYS 104 HE3 LYS 104 -1.065 -13.778 4.128 860 HZ1 LYS 104 HZ1 LYS 104 -2.975 -15.080 4.114 861 HZ2 LYS 104 HZ2 LYS 104 -1.928 -15.921 3.087 862 HZ3 LYS 104 HZ3 LYS 104 -3.170 -14.975 2.436 863 H LYS 105 H LYS 105 -3.877 -11.373 0.686 864 HA LYS 105 HA LYS 105 -6.217 -12.312 -0.715 865 HB2 LYS 105 HB2 LYS 105 -5.924 -9.730 -0.967 866 HB3 LYS 105 HB3 LYS 105 -4.623 -10.167 -2.065 867 HG2 LYS 105 HG2 LYS 105 -7.517 -10.955 -2.323 868 HG3 LYS 105 HG3 LYS 105 -6.660 -9.756 -3.294 869 HD2 LYS 105 HD2 LYS 105 -5.128 -11.567 -4.057 870 HD3 LYS 105 HD3 LYS 105 -6.145 -12.726 -3.199 871 HE2 LYS 105 HE2 LYS 105 -6.672 -12.600 -5.603 872 HE3 LYS 105 HE3 LYS 105 -8.038 -12.150 -4.583 873 HZ1 LYS 105 HZ1 LYS 105 -7.304 -10.709 -6.647 874 HZ2 LYS 105 HZ2 LYS 105 -6.280 -10.005 -5.500 875 HZ3 LYS 105 HZ3 LYS 105 -7.954 -10.001 -5.255 876 H PHE 106 H PHE 106 -5.503 -14.226 -1.395 877 HA PHE 106 HA PHE 106 -2.771 -14.747 -1.990 878 HB2 PHE 106 HB2 PHE 106 -5.254 -16.280 -1.796 879 HB3 PHE 106 HB3 PHE 106 -4.187 -16.857 -3.072 880 HD1 PHE 106 HD1 PHE 106 -4.458 -16.220 0.546 881 HD2 PHE 106 HD2 PHE 106 -2.180 -18.008 -2.572 882 HE1 PHE 106 HE1 PHE 106 -3.110 -17.416 2.222 883 HE2 PHE 106 HE2 PHE 106 -0.829 -19.208 -0.902 884 HZ PHE 106 HZ PHE 106 -1.293 -18.912 1.499 885 H SER 107 H SER 107 -1.716 -14.703 -3.887 886 HA SER 107 HA SER 107 -2.792 -13.351 -6.101 887 HB2 SER 107 HB2 SER 107 -0.625 -14.743 -7.113 888 HB3 SER 107 HB3 SER 107 -0.560 -13.157 -6.346 889 HG SER 107 HG SER 107 0.000 -15.689 -5.246 890 H GLN 108 H GLN 108 -4.653 -14.320 -6.856 891 HA GLN 108 HA GLN 108 -4.901 -17.076 -7.419 892 HB2 GLN 108 HB2 GLN 108 -6.691 -15.132 -7.164 893 HB3 GLN 108 HB3 GLN 108 -6.532 -15.079 -8.915 894 HG2 GLN 108 HG2 GLN 108 -8.022 -16.710 -9.012 895 HG3 GLN 108 HG3 GLN 108 -6.802 -17.777 -8.320 896 HE21 GLN 108 HE21 GLN 108 -9.163 -15.335 -7.290 897 HE22 GLN 108 HE22 GLN 108 -9.689 -16.189 -5.883 898 H GLN 109 H GLN 109 -3.892 -14.309 -9.337 899 HA GLN 109 HA GLN 109 -3.968 -15.464 -11.878 900 HB2 GLN 109 HB2 GLN 109 -3.594 -13.055 -11.426 901 HB3 GLN 109 HB3 GLN 109 -1.978 -13.435 -10.847 902 HG2 GLN 109 HG2 GLN 109 -1.228 -14.031 -12.978 903 HG3 GLN 109 HG3 GLN 109 -2.868 -14.180 -13.608 904 HE21 GLN 109 HE21 GLN 109 -0.613 -11.817 -12.247 905 HE22 GLN 109 HE22 GLN 109 -1.156 -10.486 -13.205 906 H ASP 110 H ASP 110 -3.045 -17.309 -12.468 907 HA ASP 110 HA ASP 110 -0.373 -17.947 -11.416 908 HB2 ASP 110 HB2 ASP 110 -2.413 -19.505 -11.006 909 HB3 ASP 110 HB3 ASP 110 -2.186 -19.973 -12.689 910 H THR 111 H THR 111 -2.224 -17.364 -14.260 911 HA THR 111 HA THR 111 -0.553 -18.592 -16.165 912 HB THR 111 HB THR 111 -2.109 -16.095 -16.753 913 HG1 THR 111 HG1 THR 111 -3.252 -18.671 -16.471 914 HG21 THR 111 HG21 THR 111 -2.793 -17.560 -18.733 915 HG22 THR 111 HG22 THR 111 -1.440 -18.589 -18.261 916 HG23 THR 111 HG23 THR 111 -1.155 -16.907 -18.707 917 H LYS 112 H LYS 112 0.663 -17.319 -17.858 918 HA LYS 112 HA LYS 112 1.839 -14.838 -17.064 919 HB2 LYS 112 HB2 LYS 112 3.039 -16.811 -15.810 920 HB3 LYS 112 HB3 LYS 112 3.823 -17.055 -17.364 921 HG2 LYS 112 HG2 LYS 112 4.615 -14.727 -17.307 922 HG3 LYS 112 HG3 LYS 112 3.877 -14.537 -15.715 923 HD2 LYS 112 HD2 LYS 112 5.331 -16.718 -15.230 924 HD3 LYS 112 HD3 LYS 112 6.314 -16.024 -16.521 925 HE2 LYS 112 HE2 LYS 112 6.897 -14.194 -15.281 926 HE3 LYS 112 HE3 LYS 112 5.409 -14.226 -14.336 927 HZ1 LYS 112 HZ1 LYS 112 7.576 -16.232 -14.048 928 HZ2 LYS 112 HZ2 LYS 112 6.234 -16.019 -13.041 929 HZ3 LYS 112 HZ3 LYS 112 7.451 -14.845 -13.086 930 H LEU 113 H LEU 113 3.342 -14.004 -18.689 931 HA LEU 113 HA LEU 113 3.451 -15.402 -21.210 932 HB2 LEU 113 HB2 LEU 113 1.310 -14.253 -21.347 933 HB3 LEU 113 HB3 LEU 113 2.077 -12.734 -20.926 934 HG LEU 113 HG LEU 113 3.399 -12.880 -23.042 935 HD11 LEU 113 HD11 LEU 113 2.065 -14.491 -24.708 936 HD12 LEU 113 HD12 LEU 113 1.909 -15.424 -23.219 937 HD13 LEU 113 HD13 LEU 113 3.508 -14.996 -23.828 938 HD21 LEU 113 HD21 LEU 113 1.697 -11.422 -23.376 939 HD22 LEU 113 HD22 LEU 113 0.462 -12.576 -22.873 940 HD23 LEU 113 HD23 LEU 113 1.161 -12.682 -24.488 941 H SER 114 H SER 114 5.600 -15.357 -21.446 942 HA SER 114 HA SER 114 7.318 -13.342 -20.531 943 HB2 SER 114 HB2 SER 114 7.718 -15.825 -21.476 944 HB3 SER 114 HB3 SER 114 8.151 -14.906 -22.917 945 HG SER 114 HG SER 114 10.010 -14.807 -21.907 946 H LEU 115 H LEU 115 7.488 -11.309 -21.211 947 HA LEU 115 HA LEU 115 6.287 -10.280 -23.499 948 HB2 LEU 115 HB2 LEU 115 7.787 -8.306 -23.044 949 HB3 LEU 115 HB3 LEU 115 6.735 -8.791 -21.737 950 HG LEU 115 HG LEU 115 8.914 -10.157 -21.018 951 HD11 LEU 115 HD11 LEU 115 9.905 -8.799 -23.181 952 HD12 LEU 115 HD12 LEU 115 10.862 -9.477 -21.864 953 HD13 LEU 115 HD13 LEU 115 10.390 -7.778 -21.827 954 HD21 LEU 115 HD21 LEU 115 7.540 -8.081 -20.022 955 HD22 LEU 115 HD22 LEU 115 9.076 -7.284 -20.359 956 HD23 LEU 115 HD23 LEU 115 9.028 -8.693 -19.299 957 H GLU 116 H GLU 116 6.863 -10.286 -25.570 958 HA GLU 116 HA GLU 116 9.670 -10.375 -26.323 959 HB2 GLU 116 HB2 GLU 116 8.565 -12.765 -26.094 960 HB3 GLU 116 HB3 GLU 116 7.891 -12.364 -27.668 961 HG2 GLU 116 HG2 GLU 116 9.825 -13.506 -28.200 962 HG3 GLU 116 HG3 GLU 116 10.315 -11.817 -28.329 Start of MODEL 24 1 H1 HIS 1 H1 HIS 1 6.260 -10.742 -10.690 2 H2 HIS 1 H2 HIS 1 7.484 -10.552 -9.502 3 H3 HIS 1 H3 HIS 1 7.838 -10.261 -11.156 4 HA HIS 1 HA HIS 1 7.623 -8.186 -10.268 5 HB2 HIS 1 HB2 HIS 1 5.363 -9.275 -11.821 6 HB3 HIS 1 HB3 HIS 1 5.043 -7.730 -11.039 7 HD1 HIS 1 HD1 HIS 1 7.937 -6.548 -11.418 8 HD2 HIS 1 HD2 HIS 1 5.637 -8.326 -14.387 9 HE1 HIS 1 HE1 HIS 1 8.813 -5.628 -13.588 10 HE2 HIS 1 HE2 HIS 1 7.348 -6.651 -15.364 11 H SER 2 H SER 2 7.204 -7.014 -8.501 12 HA SER 2 HA SER 2 5.674 -8.167 -6.364 13 HB2 SER 2 HB2 SER 2 7.656 -6.080 -6.663 14 HB3 SER 2 HB3 SER 2 6.310 -5.519 -5.671 15 HG SER 2 HG SER 2 7.813 -7.894 -5.267 16 H VAL 3 H VAL 3 5.194 -5.668 -8.755 17 HA VAL 3 HA VAL 3 3.090 -4.248 -7.631 18 HB VAL 3 HB VAL 3 4.211 -3.564 -9.702 19 HG11 VAL 3 HG11 VAL 3 2.603 -5.322 -11.425 20 HG12 VAL 3 HG12 VAL 3 3.903 -6.117 -10.537 21 HG13 VAL 3 HG13 VAL 3 4.265 -4.762 -11.606 22 HG21 VAL 3 HG21 VAL 3 1.619 -3.157 -9.045 23 HG22 VAL 3 HG22 VAL 3 1.444 -3.828 -10.667 24 HG23 VAL 3 HG23 VAL 3 2.427 -2.386 -10.411 25 HA PRO 4 HA PRO 4 0.030 -7.523 -7.236 26 HB2 PRO 4 HB2 PRO 4 -1.748 -5.164 -6.895 27 HB3 PRO 4 HB3 PRO 4 -1.563 -6.593 -5.872 28 HG2 PRO 4 HG2 PRO 4 -0.539 -4.255 -5.128 29 HG3 PRO 4 HG3 PRO 4 0.339 -5.768 -4.836 30 HD2 PRO 4 HD2 PRO 4 0.799 -3.682 -6.928 31 HD3 PRO 4 HD3 PRO 4 1.980 -4.632 -6.004 32 H GLU 5 H GLU 5 -2.497 -7.406 -7.981 33 HA GLU 5 HA GLU 5 -2.381 -6.863 -10.856 34 HB2 GLU 5 HB2 GLU 5 -4.570 -8.476 -10.497 35 HB3 GLU 5 HB3 GLU 5 -2.976 -9.019 -10.987 36 HG2 GLU 5 HG2 GLU 5 -2.454 -9.821 -8.885 37 HG3 GLU 5 HG3 GLU 5 -3.660 -8.814 -8.088 38 H SER 6 H SER 6 -4.834 -7.085 -8.339 39 HA SER 6 HA SER 6 -5.790 -4.442 -8.696 40 HB2 SER 6 HB2 SER 6 -6.631 -5.610 -10.800 41 HB3 SER 6 HB3 SER 6 -7.672 -6.562 -9.742 42 HG SER 6 HG SER 6 -8.851 -4.810 -10.393 43 H ILE 7 H ILE 7 -7.398 -3.883 -7.172 44 HA ILE 7 HA ILE 7 -8.393 -5.991 -5.423 45 HB ILE 7 HB ILE 7 -7.664 -4.857 -3.381 46 HG12 ILE 7 HG12 ILE 7 -5.545 -3.232 -4.353 47 HG13 ILE 7 HG13 ILE 7 -7.005 -2.753 -5.214 48 HG21 ILE 7 HG21 ILE 7 -6.262 -6.591 -4.774 49 HG22 ILE 7 HG22 ILE 7 -5.598 -5.837 -3.325 50 HG23 ILE 7 HG23 ILE 7 -5.145 -5.234 -4.919 51 HD11 ILE 7 HD11 ILE 7 -6.351 -1.640 -2.944 52 HD12 ILE 7 HD12 ILE 7 -7.120 -3.072 -2.260 53 HD13 ILE 7 HD13 ILE 7 -8.036 -2.000 -3.319 54 H ARG 8 H ARG 8 -10.427 -5.615 -4.825 55 HA ARG 8 HA ARG 8 -11.424 -2.847 -4.909 56 HB2 ARG 8 HB2 ARG 8 -13.607 -3.821 -5.728 57 HB3 ARG 8 HB3 ARG 8 -12.283 -3.847 -6.885 58 HG2 ARG 8 HG2 ARG 8 -11.951 -6.167 -6.601 59 HG3 ARG 8 HG3 ARG 8 -12.982 -6.211 -5.169 60 HD2 ARG 8 HD2 ARG 8 -14.094 -5.319 -7.798 61 HD3 ARG 8 HD3 ARG 8 -13.908 -7.039 -7.455 62 HE ARG 8 HE ARG 8 -15.226 -6.125 -5.282 63 HH11 ARG 8 HH11 ARG 8 -15.799 -5.815 -8.710 64 HH12 ARG 8 HH12 ARG 8 -17.519 -5.721 -8.541 65 HH21 ARG 8 HH21 ARG 8 -17.489 -6.001 -5.057 66 HH22 ARG 8 HH22 ARG 8 -18.479 -5.827 -6.468 67 H PHE 9 H PHE 9 -12.346 -2.209 -3.085 68 HA PHE 9 HA PHE 9 -13.151 -4.261 -1.135 69 HB2 PHE 9 HB2 PHE 9 -13.074 -2.051 0.380 70 HB3 PHE 9 HB3 PHE 9 -11.653 -3.046 0.086 71 HD1 PHE 9 HD1 PHE 9 -13.446 -0.298 -1.706 72 HD2 PHE 9 HD2 PHE 9 -9.743 -1.860 -0.308 73 HE1 PHE 9 HE1 PHE 9 -12.275 1.656 -2.636 74 HE2 PHE 9 HE2 PHE 9 -8.566 0.091 -1.234 75 HZ PHE 9 HZ PHE 9 -9.832 1.852 -2.400 76 H GLY 10 H GLY 10 -15.137 -4.359 -2.536 77 HA2 GLY 10 HA2 GLY 10 -17.463 -4.098 -2.164 78 HA3 GLY 10 HA3 GLY 10 -17.140 -2.552 -1.394 79 HA PRO 11 HA PRO 11 -18.606 -1.256 -5.478 80 HB2 PRO 11 HB2 PRO 11 -19.550 1.141 -4.751 81 HB3 PRO 11 HB3 PRO 11 -20.414 -0.349 -4.353 82 HG2 PRO 11 HG2 PRO 11 -18.647 1.337 -2.626 83 HG3 PRO 11 HG3 PRO 11 -20.188 0.557 -2.226 84 HD2 PRO 11 HD2 PRO 11 -17.718 -0.464 -1.571 85 HD3 PRO 11 HD3 PRO 11 -19.185 -1.443 -1.758 86 H ASN 12 H ASN 12 -15.948 -0.373 -3.729 87 HA ASN 12 HA ASN 12 -15.162 1.653 -5.719 88 HB2 ASN 12 HB2 ASN 12 -14.462 1.496 -2.785 89 HB3 ASN 12 HB3 ASN 12 -13.634 2.554 -3.923 90 HD21 ASN 12 HD21 ASN 12 -15.558 3.583 -5.437 91 HD22 ASN 12 HD22 ASN 12 -16.696 4.474 -4.491 92 H VAL 13 H VAL 13 -13.928 0.547 -7.123 93 HA VAL 13 HA VAL 13 -12.123 -1.534 -6.244 94 HB VAL 13 HB VAL 13 -12.329 -0.318 -9.001 95 HG11 VAL 13 HG11 VAL 13 -11.636 -2.830 -9.460 96 HG12 VAL 13 HG12 VAL 13 -10.969 -2.687 -7.834 97 HG13 VAL 13 HG13 VAL 13 -10.436 -1.587 -9.105 98 HG21 VAL 13 HG21 VAL 13 -13.870 -2.132 -9.548 99 HG22 VAL 13 HG22 VAL 13 -14.526 -1.105 -8.273 100 HG23 VAL 13 HG23 VAL 13 -13.834 -2.677 -7.871 101 H PHE 14 H PHE 14 -9.812 -1.501 -6.736 102 HA PHE 14 HA PHE 14 -8.666 1.192 -6.950 103 HB2 PHE 14 HB2 PHE 14 -8.780 0.535 -4.546 104 HB3 PHE 14 HB3 PHE 14 -7.758 -0.850 -4.914 105 HD1 PHE 14 HD1 PHE 14 -7.872 2.840 -4.835 106 HD2 PHE 14 HD2 PHE 14 -5.421 -0.630 -5.094 107 HE1 PHE 14 HE1 PHE 14 -5.872 4.232 -4.493 108 HE2 PHE 14 HE2 PHE 14 -3.417 0.756 -4.752 109 HZ PHE 14 HZ PHE 14 -3.641 3.190 -4.451 110 H TYR 15 H TYR 15 -7.767 0.958 -8.927 111 HA TYR 15 HA TYR 15 -6.382 -1.443 -9.701 112 HB2 TYR 15 HB2 TYR 15 -6.701 1.254 -11.025 113 HB3 TYR 15 HB3 TYR 15 -5.789 -0.070 -11.742 114 HD1 TYR 15 HD1 TYR 15 -7.124 -2.352 -11.912 115 HD2 TYR 15 HD2 TYR 15 -8.927 1.488 -11.591 116 HE1 TYR 15 HE1 TYR 15 -9.193 -3.248 -12.893 117 HE2 TYR 15 HE2 TYR 15 -11.001 0.603 -12.570 118 HH TYR 15 HH TYR 15 -11.658 -1.314 -14.068 119 H VAL 16 H VAL 16 -4.472 -1.891 -8.827 120 HA VAL 16 HA VAL 16 -2.751 -0.085 -7.586 121 HB VAL 16 HB VAL 16 -0.984 -1.914 -7.986 122 HG11 VAL 16 HG11 VAL 16 -2.325 -1.591 -5.920 123 HG12 VAL 16 HG12 VAL 16 -1.892 -3.273 -6.228 124 HG13 VAL 16 HG13 VAL 16 -3.526 -2.705 -6.573 125 HG21 VAL 16 HG21 VAL 16 -2.577 -2.783 -9.935 126 HG22 VAL 16 HG22 VAL 16 -3.239 -3.737 -8.607 127 HG23 VAL 16 HG23 VAL 16 -1.529 -3.867 -9.019 128 H LEU 17 H LEU 17 -3.205 -0.714 -10.936 129 HA LEU 17 HA LEU 17 -0.641 0.544 -11.607 130 HB2 LEU 17 HB2 LEU 17 -2.617 -1.011 -13.266 131 HB3 LEU 17 HB3 LEU 17 -1.240 -0.170 -13.953 132 HG LEU 17 HG LEU 17 -0.813 -2.193 -11.788 133 HD11 LEU 17 HD11 LEU 17 -2.261 -2.979 -13.866 134 HD12 LEU 17 HD12 LEU 17 -1.012 -3.999 -13.153 135 HD13 LEU 17 HD13 LEU 17 -0.667 -3.075 -14.614 136 HD21 LEU 17 HD21 LEU 17 0.885 -0.519 -13.028 137 HD22 LEU 17 HD22 LEU 17 0.973 -1.903 -14.118 138 HD23 LEU 17 HD23 LEU 17 1.356 -2.102 -12.408 139 H LYS 18 H LYS 18 -4.093 1.016 -11.756 140 HA LYS 18 HA LYS 18 -3.864 3.329 -13.492 141 HB2 LYS 18 HB2 LYS 18 -5.867 1.513 -13.047 142 HB3 LYS 18 HB3 LYS 18 -6.424 2.900 -12.122 143 HG2 LYS 18 HG2 LYS 18 -7.051 3.965 -13.961 144 HG3 LYS 18 HG3 LYS 18 -5.472 3.723 -14.711 145 HD2 LYS 18 HD2 LYS 18 -6.312 1.308 -15.127 146 HD3 LYS 18 HD3 LYS 18 -7.913 1.989 -14.836 147 HE2 LYS 18 HE2 LYS 18 -7.488 2.014 -17.198 148 HE3 LYS 18 HE3 LYS 18 -7.457 3.673 -16.604 149 HZ1 LYS 18 HZ1 LYS 18 -5.295 3.897 -17.099 150 HZ2 LYS 18 HZ2 LYS 18 -5.564 2.602 -18.152 151 HZ3 LYS 18 HZ3 LYS 18 -4.895 2.323 -16.624 152 H LEU 19 H LEU 19 -4.184 2.623 -10.091 153 HA LEU 19 HA LEU 19 -4.118 3.932 -8.233 154 HB2 LEU 19 HB2 LEU 19 -2.836 5.740 -10.259 155 HB3 LEU 19 HB3 LEU 19 -3.098 6.275 -8.611 156 HG LEU 19 HG LEU 19 -1.608 3.731 -9.170 157 HD11 LEU 19 HD11 LEU 19 -0.710 6.510 -9.606 158 HD12 LEU 19 HD12 LEU 19 -0.157 5.006 -10.342 159 HD13 LEU 19 HD13 LEU 19 0.393 5.452 -8.727 160 HD21 LEU 19 HD21 LEU 19 -1.925 5.627 -6.881 161 HD22 LEU 19 HD22 LEU 19 -0.478 4.626 -7.008 162 HD23 LEU 19 HD23 LEU 19 -2.067 3.869 -6.910 163 H THR 20 H THR 20 -6.520 3.877 -9.858 164 HA THR 20 HA THR 20 -7.701 6.419 -8.965 165 HB THR 20 HB THR 20 -8.344 4.977 -11.546 166 HG1 THR 20 HG1 THR 20 -7.158 7.520 -11.165 167 HG21 THR 20 HG21 THR 20 -9.449 7.526 -10.400 168 HG22 THR 20 HG22 THR 20 -10.331 6.041 -10.754 169 HG23 THR 20 HG23 THR 20 -9.660 7.003 -12.071 170 H VAL 21 H VAL 21 -9.366 6.149 -7.633 171 HA VAL 21 HA VAL 21 -10.380 3.498 -7.116 172 HB VAL 21 HB VAL 21 -11.607 5.924 -5.875 173 HG11 VAL 21 HG11 VAL 21 -11.970 3.274 -5.492 174 HG12 VAL 21 HG12 VAL 21 -12.265 4.500 -4.259 175 HG13 VAL 21 HG13 VAL 21 -10.740 3.612 -4.274 176 HG21 VAL 21 HG21 VAL 21 -8.813 4.936 -5.390 177 HG22 VAL 21 HG22 VAL 21 -9.733 5.769 -4.137 178 HG23 VAL 21 HG23 VAL 21 -9.371 6.588 -5.657 179 H GLU 22 H GLU 22 -11.906 2.644 -8.360 180 HA GLU 22 HA GLU 22 -13.611 4.185 -10.033 181 HB2 GLU 22 HB2 GLU 22 -13.489 1.272 -9.299 182 HB3 GLU 22 HB3 GLU 22 -14.792 1.903 -10.297 183 HG2 GLU 22 HG2 GLU 22 -12.431 2.890 -11.424 184 HG3 GLU 22 HG3 GLU 22 -12.107 1.204 -11.024 185 H THR 23 H THR 23 -15.056 5.501 -9.085 186 HA THR 23 HA THR 23 -16.650 4.496 -6.846 187 HB THR 23 HB THR 23 -17.431 7.116 -7.295 188 HG1 THR 23 HG1 THR 23 -15.718 7.362 -8.788 189 HG21 THR 23 HG21 THR 23 -15.432 5.900 -5.441 190 HG22 THR 23 HG22 THR 23 -17.043 6.531 -5.095 191 HG23 THR 23 HG23 THR 23 -15.719 7.640 -5.451 192 HA PRO 24 HA PRO 24 -20.347 4.160 -9.224 193 HB2 PRO 24 HB2 PRO 24 -22.275 5.050 -7.585 194 HB3 PRO 24 HB3 PRO 24 -21.345 3.594 -7.220 195 HG2 PRO 24 HG2 PRO 24 -21.053 6.354 -6.123 196 HG3 PRO 24 HG3 PRO 24 -20.948 4.796 -5.284 197 HD2 PRO 24 HD2 PRO 24 -18.782 6.266 -6.107 198 HD3 PRO 24 HD3 PRO 24 -18.749 4.517 -5.838 199 H GLU 25 H GLU 25 -19.687 7.355 -7.943 200 HA GLU 25 HA GLU 25 -21.614 8.636 -9.686 201 HB2 GLU 25 HB2 GLU 25 -20.265 9.336 -7.297 202 HB3 GLU 25 HB3 GLU 25 -19.760 10.492 -8.521 203 HG2 GLU 25 HG2 GLU 25 -22.155 10.916 -9.023 204 HG3 GLU 25 HG3 GLU 25 -22.576 9.871 -7.667 205 H GLY 26 H GLY 26 -18.185 7.981 -9.597 206 HA2 GLY 26 HA2 GLY 26 -17.842 8.384 -12.356 207 HA3 GLY 26 HA3 GLY 26 -17.312 9.834 -11.517 208 H SER 27 H SER 27 -15.384 9.838 -10.439 209 HA SER 27 HA SER 27 -13.963 7.376 -9.928 210 HB2 SER 27 HB2 SER 27 -13.150 9.261 -12.124 211 HB3 SER 27 HB3 SER 27 -11.935 8.320 -11.259 212 HG SER 27 HG SER 27 -12.486 6.983 -12.850 213 H VAL 28 H VAL 28 -11.717 7.889 -9.022 214 HA VAL 28 HA VAL 28 -11.665 10.484 -7.654 215 HB VAL 28 HB VAL 28 -11.150 7.884 -6.210 216 HG11 VAL 28 HG11 VAL 28 -9.950 9.539 -5.103 217 HG12 VAL 28 HG12 VAL 28 -11.479 9.502 -4.226 218 HG13 VAL 28 HG13 VAL 28 -11.173 10.771 -5.412 219 HG21 VAL 28 HG21 VAL 28 -13.602 9.642 -6.146 220 HG22 VAL 28 HG22 VAL 28 -13.290 8.289 -5.059 221 HG23 VAL 28 HG23 VAL 28 -13.503 8.002 -6.786 222 H HIS 29 H HIS 29 -9.693 11.385 -7.550 223 HA HIS 29 HA HIS 29 -7.425 9.783 -8.510 224 HB2 HIS 29 HB2 HIS 29 -6.361 11.958 -9.034 225 HB3 HIS 29 HB3 HIS 29 -7.894 11.741 -9.871 226 HD1 HIS 29 HD1 HIS 29 -7.504 14.482 -9.971 227 HD2 HIS 29 HD2 HIS 29 -8.667 12.815 -6.347 228 HE1 HIS 29 HE1 HIS 29 -8.435 16.389 -8.622 229 HE2 HIS 29 HE2 HIS 29 -9.056 15.370 -6.402 230 H LEU 30 H LEU 30 -5.246 10.559 -7.608 231 HA LEU 30 HA LEU 30 -5.158 11.692 -5.004 232 HB2 LEU 30 HB2 LEU 30 -4.397 9.643 -3.813 233 HB3 LEU 30 HB3 LEU 30 -6.091 9.623 -4.260 234 HG LEU 30 HG LEU 30 -5.513 8.172 -6.203 235 HD11 LEU 30 HD11 LEU 30 -2.793 8.615 -5.113 236 HD12 LEU 30 HD12 LEU 30 -3.327 8.395 -6.780 237 HD13 LEU 30 HD13 LEU 30 -3.174 7.000 -5.712 238 HD21 LEU 30 HD21 LEU 30 -4.561 6.304 -4.438 239 HD22 LEU 30 HD22 LEU 30 -6.260 6.716 -4.677 240 HD23 LEU 30 HD23 LEU 30 -5.342 7.473 -3.374 241 H THR 31 H THR 31 -2.932 11.347 -3.990 242 HA THR 31 HA THR 31 -0.953 11.742 -6.064 243 HB THR 31 HB THR 31 -0.796 13.250 -4.224 244 HG1 THR 31 HG1 THR 31 1.217 12.421 -4.956 245 HG21 THR 31 HG21 THR 31 -1.731 12.533 -2.316 246 HG22 THR 31 HG22 THR 31 -0.082 12.030 -1.948 247 HG23 THR 31 HG23 THR 31 -1.242 10.859 -2.576 248 HA PRO 32 HA PRO 32 0.020 7.374 -5.988 249 HB2 PRO 32 HB2 PRO 32 2.208 7.530 -7.634 250 HB3 PRO 32 HB3 PRO 32 0.538 7.480 -8.208 251 HG2 PRO 32 HG2 PRO 32 2.343 9.837 -7.832 252 HG3 PRO 32 HG3 PRO 32 1.225 9.483 -9.162 253 HD2 PRO 32 HD2 PRO 32 0.600 11.226 -7.212 254 HD3 PRO 32 HD3 PRO 32 -0.626 10.180 -7.959 255 H SER 33 H SER 33 1.931 9.919 -4.756 256 HA SER 33 HA SER 33 4.121 8.218 -3.968 257 HB2 SER 33 HB2 SER 33 3.791 10.870 -2.680 258 HB3 SER 33 HB3 SER 33 5.234 10.128 -3.370 259 HG SER 33 HG SER 33 4.287 10.560 -5.457 260 H GLU 34 H GLU 34 1.282 9.622 -2.510 261 HA GLU 34 HA GLU 34 1.940 8.397 0.051 262 HB2 GLU 34 HB2 GLU 34 -0.096 10.376 -0.873 263 HB3 GLU 34 HB3 GLU 34 -0.475 9.401 0.538 264 HG2 GLU 34 HG2 GLU 34 0.479 11.185 1.556 265 HG3 GLU 34 HG3 GLU 34 1.914 10.193 1.306 266 H SER 35 H SER 35 -0.241 8.149 -2.638 267 HA SER 35 HA SER 35 -1.673 5.933 -1.481 268 HB2 SER 35 HB2 SER 35 -1.713 7.207 -4.220 269 HB3 SER 35 HB3 SER 35 -2.696 5.804 -3.798 270 HG SER 35 HG SER 35 -2.815 8.429 -2.767 271 H GLY 36 H GLY 36 1.322 6.422 -2.917 272 HA2 GLY 36 HA2 GLY 36 1.539 3.927 -4.318 273 HA3 GLY 36 HA3 GLY 36 2.852 5.026 -3.941 274 H ILE 37 H ILE 37 2.366 5.148 -1.137 275 HA ILE 37 HA ILE 37 3.852 2.884 -0.301 276 HB ILE 37 HB ILE 37 4.055 4.943 0.938 277 HG12 ILE 37 HG12 ILE 37 4.051 2.551 2.079 278 HG13 ILE 37 HG13 ILE 37 4.238 4.012 3.037 279 HG21 ILE 37 HG21 ILE 37 1.124 4.759 1.052 280 HG22 ILE 37 HG22 ILE 37 2.179 6.170 0.967 281 HG23 ILE 37 HG23 ILE 37 1.914 5.359 2.510 282 HD11 ILE 37 HD11 ILE 37 2.713 2.539 4.136 283 HD12 ILE 37 HD12 ILE 37 1.726 2.397 2.682 284 HD13 ILE 37 HD13 ILE 37 1.817 3.935 3.540 285 H LEU 38 H LEU 38 0.480 3.628 -0.460 286 HA LEU 38 HA LEU 38 -0.402 1.433 1.155 287 HB2 LEU 38 HB2 LEU 38 -1.885 3.276 1.000 288 HB3 LEU 38 HB3 LEU 38 -1.776 3.317 -0.748 289 HG LEU 38 HG LEU 38 -2.944 0.894 0.547 290 HD11 LEU 38 HD11 LEU 38 -5.163 2.352 0.071 291 HD12 LEU 38 HD12 LEU 38 -4.071 3.612 0.648 292 HD13 LEU 38 HD13 LEU 38 -4.403 2.204 1.656 293 HD21 LEU 38 HD21 LEU 38 -3.021 2.275 -2.079 294 HD22 LEU 38 HD22 LEU 38 -4.457 1.383 -1.577 295 HD23 LEU 38 HD23 LEU 38 -2.905 0.555 -1.705 296 H LYS 39 H LYS 39 0.637 1.868 -2.077 297 HA LYS 39 HA LYS 39 -0.717 -0.341 -3.247 298 HB2 LYS 39 HB2 LYS 39 1.025 1.739 -4.117 299 HB3 LYS 39 HB3 LYS 39 1.700 0.206 -4.648 300 HG2 LYS 39 HG2 LYS 39 0.164 -0.025 -6.237 301 HG3 LYS 39 HG3 LYS 39 -1.153 0.350 -5.124 302 HD2 LYS 39 HD2 LYS 39 -1.138 2.000 -6.869 303 HD3 LYS 39 HD3 LYS 39 -0.595 2.763 -5.374 304 HE2 LYS 39 HE2 LYS 39 1.140 3.509 -6.567 305 HE3 LYS 39 HE3 LYS 39 1.749 1.856 -6.488 306 HZ1 LYS 39 HZ1 LYS 39 1.772 2.201 -8.725 307 HZ2 LYS 39 HZ2 LYS 39 0.449 3.255 -8.709 308 HZ3 LYS 39 HZ3 LYS 39 0.203 1.587 -8.570 309 H ARG 40 H ARG 40 2.391 0.130 -1.707 310 HA ARG 40 HA ARG 40 3.340 -2.502 -2.321 311 HB2 ARG 40 HB2 ARG 40 4.455 -0.139 -1.250 312 HB3 ARG 40 HB3 ARG 40 4.659 -1.382 -0.023 313 HG2 ARG 40 HG2 ARG 40 5.758 -2.822 -1.666 314 HG3 ARG 40 HG3 ARG 40 5.560 -1.567 -2.891 315 HD2 ARG 40 HD2 ARG 40 6.947 -0.052 -1.586 316 HD3 ARG 40 HD3 ARG 40 7.109 -1.268 -0.320 317 HE ARG 40 HE ARG 40 8.734 -2.279 -1.563 318 HH11 ARG 40 HH11 ARG 40 6.899 -0.165 -3.648 319 HH12 ARG 40 HH12 ARG 40 7.947 -0.392 -5.008 320 HH21 ARG 40 HH21 ARG 40 10.112 -2.579 -3.350 321 HH22 ARG 40 HH22 ARG 40 9.771 -1.763 -4.840 322 H LEU 41 H LEU 41 1.519 -1.045 0.229 323 HA LEU 41 HA LEU 41 1.760 -3.306 2.006 324 HB2 LEU 41 HB2 LEU 41 0.320 -0.698 2.039 325 HB3 LEU 41 HB3 LEU 41 -0.306 -1.987 3.048 326 HG LEU 41 HG LEU 41 1.938 -2.163 4.125 327 HD11 LEU 41 HD11 LEU 41 3.119 -1.094 2.153 328 HD12 LEU 41 HD12 LEU 41 3.622 -0.565 3.758 329 HD13 LEU 41 HD13 LEU 41 2.558 0.453 2.788 330 HD21 LEU 41 HD21 LEU 41 1.302 -0.690 5.693 331 HD22 LEU 41 HD22 LEU 41 -0.110 -0.460 4.662 332 HD23 LEU 41 HD23 LEU 41 1.253 0.654 4.552 333 H LEU 42 H LEU 42 -0.218 -2.322 -0.617 334 HA LEU 42 HA LEU 42 -2.480 -3.949 -0.007 335 HB2 LEU 42 HB2 LEU 42 -1.892 -1.968 -1.871 336 HB3 LEU 42 HB3 LEU 42 -2.089 -3.416 -2.837 337 HG LEU 42 HG LEU 42 -4.201 -2.311 -2.744 338 HD11 LEU 42 HD11 LEU 42 -3.873 -4.909 -2.105 339 HD12 LEU 42 HD12 LEU 42 -5.444 -4.139 -2.322 340 HD13 LEU 42 HD13 LEU 42 -4.782 -4.348 -0.702 341 HD21 LEU 42 HD21 LEU 42 -4.032 -0.872 -0.897 342 HD22 LEU 42 HD22 LEU 42 -3.698 -2.200 0.215 343 HD23 LEU 42 HD23 LEU 42 -5.311 -2.008 -0.471 344 H ILE 43 H ILE 43 0.585 -4.432 -1.538 345 HA ILE 43 HA ILE 43 -0.029 -6.786 -2.984 346 HB ILE 43 HB ILE 43 2.680 -6.534 -1.772 347 HG12 ILE 43 HG12 ILE 43 1.576 -4.626 -3.846 348 HG13 ILE 43 HG13 ILE 43 2.297 -4.218 -2.295 349 HG21 ILE 43 HG21 ILE 43 1.604 -7.263 -4.490 350 HG22 ILE 43 HG22 ILE 43 2.270 -8.348 -3.269 351 HG23 ILE 43 HG23 ILE 43 3.321 -7.195 -4.090 352 HD11 ILE 43 HD11 ILE 43 3.570 -4.867 -4.861 353 HD12 ILE 43 HD12 ILE 43 4.345 -5.534 -3.425 354 HD13 ILE 43 HD13 ILE 43 4.097 -3.795 -3.565 355 H ASN 44 H ASN 44 0.796 -6.141 0.346 356 HA ASN 44 HA ASN 44 0.935 -8.973 0.989 357 HB2 ASN 44 HB2 ASN 44 1.313 -6.497 2.676 358 HB3 ASN 44 HB3 ASN 44 1.445 -8.139 3.294 359 HD21 ASN 44 HD21 ASN 44 3.606 -7.419 3.887 360 HD22 ASN 44 HD22 ASN 44 4.870 -7.518 2.714 361 H LYS 45 H LYS 45 -1.004 -6.148 1.722 362 HA LYS 45 HA LYS 45 -3.081 -5.868 2.606 363 HB2 LYS 45 HB2 LYS 45 -3.240 -8.226 0.841 364 HB3 LYS 45 HB3 LYS 45 -4.571 -8.044 1.975 365 HG2 LYS 45 HG2 LYS 45 -3.764 -5.651 0.428 366 HG3 LYS 45 HG3 LYS 45 -4.593 -6.947 -0.437 367 HD2 LYS 45 HD2 LYS 45 -6.431 -5.819 0.259 368 HD3 LYS 45 HD3 LYS 45 -6.176 -6.778 1.718 369 HE2 LYS 45 HE2 LYS 45 -4.551 -4.598 2.123 370 HE3 LYS 45 HE3 LYS 45 -5.945 -3.901 1.299 371 HZ1 LYS 45 HZ1 LYS 45 -6.357 -5.745 3.554 372 HZ2 LYS 45 HZ2 LYS 45 -7.358 -4.503 2.992 373 HZ3 LYS 45 HZ3 LYS 45 -5.955 -4.130 3.860 374 H GLY 46 H GLY 46 -2.531 -5.928 4.781 375 HA2 GLY 46 HA2 GLY 46 -2.984 -6.634 6.935 376 HA3 GLY 46 HA3 GLY 46 -3.750 -8.066 6.264 377 H GLN 47 H GLN 47 -0.512 -6.630 6.635 378 HA GLN 47 HA GLN 47 0.452 -9.245 7.544 379 HB2 GLN 47 HB2 GLN 47 1.435 -7.663 5.221 380 HB3 GLN 47 HB3 GLN 47 2.631 -8.487 6.212 381 HG2 GLN 47 HG2 GLN 47 1.036 -10.538 5.882 382 HG3 GLN 47 HG3 GLN 47 0.499 -9.620 4.475 383 HE21 GLN 47 HE21 GLN 47 3.377 -10.911 6.060 384 HE22 GLN 47 HE22 GLN 47 4.277 -11.174 4.610 385 H LEU 48 H LEU 48 2.203 -9.179 8.975 386 HA LEU 48 HA LEU 48 2.343 -6.812 10.572 387 HB2 LEU 48 HB2 LEU 48 2.770 -9.490 11.014 388 HB3 LEU 48 HB3 LEU 48 4.400 -8.845 11.043 389 HG LEU 48 HG LEU 48 3.381 -8.968 13.285 390 HD11 LEU 48 HD11 LEU 48 4.944 -7.379 13.510 391 HD12 LEU 48 HD12 LEU 48 3.574 -6.269 13.564 392 HD13 LEU 48 HD13 LEU 48 4.437 -6.532 12.049 393 HD21 LEU 48 HD21 LEU 48 1.396 -8.054 13.839 394 HD22 LEU 48 HD22 LEU 48 1.078 -8.205 12.111 395 HD23 LEU 48 HD23 LEU 48 1.619 -6.664 12.777 396 H CYS 49 H CYS 49 3.313 -5.113 9.593 397 HA CYS 49 HA CYS 49 5.965 -5.525 8.399 398 HB2 CYS 49 HB2 CYS 49 3.711 -3.876 7.707 399 HB3 CYS 49 HB3 CYS 49 5.122 -2.861 7.983 400 HG CYS 49 HG CYS 49 5.780 -5.141 6.116 401 H LEU 50 H LEU 50 7.474 -3.588 8.703 402 HA LEU 50 HA LEU 50 7.400 -2.771 11.533 403 HB2 LEU 50 HB2 LEU 50 9.885 -3.049 9.855 404 HB3 LEU 50 HB3 LEU 50 9.780 -2.860 11.594 405 HG LEU 50 HG LEU 50 10.361 -5.116 11.217 406 HD11 LEU 50 HD11 LEU 50 7.427 -4.831 11.806 407 HD12 LEU 50 HD12 LEU 50 8.761 -5.001 12.947 408 HD13 LEU 50 HD13 LEU 50 8.288 -6.365 11.935 409 HD21 LEU 50 HD21 LEU 50 8.036 -5.821 9.550 410 HD22 LEU 50 HD22 LEU 50 9.699 -6.406 9.491 411 HD23 LEU 50 HD23 LEU 50 9.283 -4.853 8.765 412 H ARG 51 H ARG 51 8.380 -0.699 12.042 413 HA ARG 51 HA ARG 51 7.460 1.379 10.420 414 HB2 ARG 51 HB2 ARG 51 9.425 1.321 12.694 415 HB3 ARG 51 HB3 ARG 51 8.979 2.818 11.887 416 HG2 ARG 51 HG2 ARG 51 6.911 2.863 12.805 417 HG3 ARG 51 HG3 ARG 51 6.766 1.105 12.842 418 HD2 ARG 51 HD2 ARG 51 7.525 0.993 14.938 419 HD3 ARG 51 HD3 ARG 51 8.875 2.072 14.587 420 HE ARG 51 HE ARG 51 6.768 3.756 14.724 421 HH11 ARG 51 HH11 ARG 51 7.974 1.278 16.866 422 HH12 ARG 51 HH12 ARG 51 7.409 2.067 18.300 423 HH21 ARG 51 HH21 ARG 51 6.023 4.795 16.609 424 HH22 ARG 51 HH22 ARG 51 6.301 4.063 18.154 425 H LYS 52 H LYS 52 10.805 0.490 11.089 426 HA LYS 52 HA LYS 52 12.013 2.157 9.214 427 HB2 LYS 52 HB2 LYS 52 13.025 -0.553 10.088 428 HB3 LYS 52 HB3 LYS 52 13.986 0.770 9.442 429 HG2 LYS 52 HG2 LYS 52 12.840 1.994 11.553 430 HG3 LYS 52 HG3 LYS 52 12.936 0.338 12.153 431 HD2 LYS 52 HD2 LYS 52 15.394 0.543 11.146 432 HD3 LYS 52 HD3 LYS 52 15.103 2.251 11.482 433 HE2 LYS 52 HE2 LYS 52 16.169 1.256 13.391 434 HE3 LYS 52 HE3 LYS 52 14.499 1.639 13.808 435 HZ1 LYS 52 HZ1 LYS 52 13.915 -0.558 13.872 436 HZ2 LYS 52 HZ2 LYS 52 15.514 -0.664 14.412 437 HZ3 LYS 52 HZ3 LYS 52 15.137 -1.047 12.809 438 H HIS 53 H HIS 53 10.104 -0.597 8.669 439 HA HIS 53 HA HIS 53 11.289 -1.157 6.075 440 HB2 HIS 53 HB2 HIS 53 9.556 -2.565 7.931 441 HB3 HIS 53 HB3 HIS 53 8.897 -2.591 6.300 442 HD1 HIS 53 HD1 HIS 53 9.383 -5.071 5.922 443 HD2 HIS 53 HD2 HIS 53 12.759 -2.846 6.878 444 HE1 HIS 53 HE1 HIS 53 11.337 -6.586 5.465 445 HE2 HIS 53 HE2 HIS 53 13.363 -5.252 6.146 446 H LEU 54 H LEU 54 8.982 0.920 7.406 447 HA LEU 54 HA LEU 54 7.361 1.054 5.010 448 HB2 LEU 54 HB2 LEU 54 6.930 1.637 7.730 449 HB3 LEU 54 HB3 LEU 54 6.819 3.167 6.881 450 HG LEU 54 HG LEU 54 5.246 1.729 5.279 451 HD11 LEU 54 HD11 LEU 54 5.181 0.322 7.933 452 HD12 LEU 54 HD12 LEU 54 5.393 -0.372 6.325 453 HD13 LEU 54 HD13 LEU 54 3.827 0.283 6.803 454 HD21 LEU 54 HD21 LEU 54 4.763 3.323 7.719 455 HD22 LEU 54 HD22 LEU 54 3.399 2.389 7.105 456 HD23 LEU 54 HD23 LEU 54 4.197 3.572 6.067 457 H LEU 55 H LEU 55 9.772 2.964 6.690 458 HA LEU 55 HA LEU 55 9.560 5.065 4.697 459 HB2 LEU 55 HB2 LEU 55 11.631 5.978 5.919 460 HB3 LEU 55 HB3 LEU 55 10.092 6.024 6.744 461 HG LEU 55 HG LEU 55 12.195 5.336 8.046 462 HD11 LEU 55 HD11 LEU 55 9.486 4.157 8.107 463 HD12 LEU 55 HD12 LEU 55 10.344 5.107 9.317 464 HD13 LEU 55 HD13 LEU 55 10.717 3.400 9.114 465 HD21 LEU 55 HD21 LEU 55 11.579 2.642 6.881 466 HD22 LEU 55 HD22 LEU 55 12.929 3.110 7.914 467 HD23 LEU 55 HD23 LEU 55 12.856 3.677 6.248 468 H GLU 56 H GLU 56 11.032 2.081 4.930 469 HA GLU 56 HA GLU 56 13.325 2.781 3.289 470 HB2 GLU 56 HB2 GLU 56 12.461 0.418 4.843 471 HB3 GLU 56 HB3 GLU 56 13.363 0.075 3.374 472 HG2 GLU 56 HG2 GLU 56 14.760 2.129 4.662 473 HG3 GLU 56 HG3 GLU 56 14.307 0.984 5.923 474 H GLU 57 H GLU 57 10.079 1.713 2.933 475 HA GLU 57 HA GLU 57 10.522 0.526 0.336 476 HB2 GLU 57 HB2 GLU 57 7.985 0.414 0.301 477 HB3 GLU 57 HB3 GLU 57 8.785 -0.507 1.567 478 HG2 GLU 57 HG2 GLU 57 8.147 0.991 3.228 479 HG3 GLU 57 HG3 GLU 57 7.788 2.268 2.068 480 H ILE 58 H ILE 58 9.277 3.529 1.627 481 HA ILE 58 HA ILE 58 8.650 4.488 -1.041 482 HB ILE 58 HB ILE 58 8.680 6.698 0.749 483 HG12 ILE 58 HG12 ILE 58 8.442 4.692 2.441 484 HG13 ILE 58 HG13 ILE 58 7.437 6.120 2.601 485 HG21 ILE 58 HG21 ILE 58 6.310 6.804 0.182 486 HG22 ILE 58 HG22 ILE 58 6.385 5.164 -0.465 487 HG23 ILE 58 HG23 ILE 58 7.298 6.461 -1.238 488 HD11 ILE 58 HD11 ILE 58 6.484 3.620 2.653 489 HD12 ILE 58 HD12 ILE 58 6.324 3.974 0.932 490 HD13 ILE 58 HD13 ILE 58 5.550 5.018 2.124 491 H LYS 59 H LYS 59 11.309 4.406 1.085 492 HA LYS 59 HA LYS 59 12.669 6.691 -0.024 493 HB2 LYS 59 HB2 LYS 59 13.132 6.046 2.275 494 HB3 LYS 59 HB3 LYS 59 13.641 4.445 1.756 495 HG2 LYS 59 HG2 LYS 59 15.403 5.751 0.359 496 HG3 LYS 59 HG3 LYS 59 15.050 7.062 1.487 497 HD2 LYS 59 HD2 LYS 59 15.474 4.467 2.774 498 HD3 LYS 59 HD3 LYS 59 16.881 5.067 1.894 499 HE2 LYS 59 HE2 LYS 59 16.923 5.804 4.218 500 HE3 LYS 59 HE3 LYS 59 16.757 7.174 3.121 501 HZ1 LYS 59 HZ1 LYS 59 14.526 7.447 3.686 502 HZ2 LYS 59 HZ2 LYS 59 15.277 7.124 5.167 503 HZ3 LYS 59 HZ3 LYS 59 14.401 5.908 4.381 504 H ASN 60 H ASN 60 12.551 3.218 -0.532 505 HA ASN 60 HA ASN 60 14.817 3.142 -2.270 506 HB2 ASN 60 HB2 ASN 60 13.440 1.234 -0.919 507 HB3 ASN 60 HB3 ASN 60 12.777 1.023 -2.537 508 HD21 ASN 60 HD21 ASN 60 13.775 -1.048 -2.543 509 HD22 ASN 60 HD22 ASN 60 15.460 -1.207 -2.891 510 H HIS 61 H HIS 61 11.724 4.350 -2.630 511 HA HIS 61 HA HIS 61 11.841 4.059 -5.532 512 HB2 HIS 61 HB2 HIS 61 9.902 2.927 -4.317 513 HB3 HIS 61 HB3 HIS 61 9.317 4.549 -3.966 514 HD1 HIS 61 HD1 HIS 61 7.822 2.427 -5.773 515 HD2 HIS 61 HD2 HIS 61 10.141 5.593 -7.139 516 HE1 HIS 61 HE1 HIS 61 7.012 2.896 -8.107 517 HE2 HIS 61 HE2 HIS 61 8.369 4.873 -8.880 518 H ALA 62 H ALA 62 10.454 6.183 -3.023 519 HA ALA 62 HA ALA 62 11.756 8.511 -3.901 520 HB1 ALA 62 HB1 ALA 62 9.867 9.705 -4.947 521 HB2 ALA 62 HB2 ALA 62 8.937 8.207 -4.928 522 HB3 ALA 62 HB3 ALA 62 10.407 8.319 -5.895 523 H LYS 63 H LYS 63 11.839 9.690 -2.116 524 HA LYS 63 HA LYS 63 9.752 9.419 -0.085 525 HB2 LYS 63 HB2 LYS 63 12.583 10.358 -0.112 526 HB3 LYS 63 HB3 LYS 63 11.510 11.023 1.111 527 HG2 LYS 63 HG2 LYS 63 11.276 8.143 0.921 528 HG3 LYS 63 HG3 LYS 63 12.930 8.656 1.263 529 HD2 LYS 63 HD2 LYS 63 12.358 9.619 3.275 530 HD3 LYS 63 HD3 LYS 63 10.682 9.887 2.791 531 HE2 LYS 63 HE2 LYS 63 11.980 7.290 3.591 532 HE3 LYS 63 HE3 LYS 63 10.692 8.155 4.429 533 HZ1 LYS 63 HZ1 LYS 63 9.572 6.495 3.308 534 HZ2 LYS 63 HZ2 LYS 63 10.550 6.596 1.933 535 HZ3 LYS 63 HZ3 LYS 63 9.407 7.802 2.247 536 H ALA 64 H ALA 64 8.939 10.757 -2.373 537 HA ALA 64 HA ALA 64 7.813 12.604 -3.025 538 HB1 ALA 64 HB1 ALA 64 7.758 14.372 -0.897 539 HB2 ALA 64 HB2 ALA 64 7.831 12.785 -0.131 540 HB3 ALA 64 HB3 ALA 64 6.539 13.153 -1.274 541 H ILE 65 H ILE 65 10.752 12.414 -3.033 542 HA ILE 65 HA ILE 65 12.652 13.705 -3.265 543 HB ILE 65 HB ILE 65 11.595 13.567 -5.477 544 HG12 ILE 65 HG12 ILE 65 12.632 16.289 -5.675 545 HG13 ILE 65 HG13 ILE 65 13.646 15.252 -4.677 546 HG21 ILE 65 HG21 ILE 65 10.470 15.713 -6.291 547 HG22 ILE 65 HG22 ILE 65 10.263 16.098 -4.582 548 HG23 ILE 65 HG23 ILE 65 9.536 14.636 -5.252 549 HD11 ILE 65 HD11 ILE 65 14.532 15.005 -6.798 550 HD12 ILE 65 HD12 ILE 65 12.946 14.983 -7.568 551 HD13 ILE 65 HD13 ILE 65 13.491 13.591 -6.633 552 H VAL 66 H VAL 66 11.093 14.698 -1.058 553 HA VAL 66 HA VAL 66 12.391 17.214 -0.699 554 HB VAL 66 HB VAL 66 9.429 17.497 -0.344 555 HG11 VAL 66 HG11 VAL 66 10.039 19.543 0.257 556 HG12 VAL 66 HG12 VAL 66 10.740 19.820 -1.336 557 HG13 VAL 66 HG13 VAL 66 11.726 19.131 -0.047 558 HG21 VAL 66 HG21 VAL 66 10.784 18.176 -2.951 559 HG22 VAL 66 HG22 VAL 66 9.083 18.377 -2.542 560 HG23 VAL 66 HG23 VAL 66 9.760 16.766 -2.713 561 H ALA 67 H ALA 67 10.859 18.161 1.472 562 HA ALA 67 HA ALA 67 11.558 16.183 3.455 563 HB1 ALA 67 HB1 ALA 67 10.629 18.129 4.972 564 HB2 ALA 67 HB2 ALA 67 10.835 19.069 3.494 565 HB3 ALA 67 HB3 ALA 67 12.216 18.239 4.211 566 H ARG 68 H ARG 68 9.663 14.959 2.187 567 HA ARG 68 HA ARG 68 7.239 15.310 3.822 568 HB2 ARG 68 HB2 ARG 68 7.569 15.029 0.914 569 HB3 ARG 68 HB3 ARG 68 6.348 13.970 1.605 570 HG2 ARG 68 HG2 ARG 68 6.194 16.728 2.557 571 HG3 ARG 68 HG3 ARG 68 5.945 16.549 0.820 572 HD2 ARG 68 HD2 ARG 68 4.180 14.948 1.193 573 HD3 ARG 68 HD3 ARG 68 4.486 14.964 2.930 574 HE ARG 68 HE ARG 68 3.273 16.898 3.090 575 HH11 ARG 68 HH11 ARG 68 4.073 16.345 -0.261 576 HH12 ARG 68 HH12 ARG 68 3.069 17.630 -0.843 577 HH21 ARG 68 HH21 ARG 68 1.952 18.588 2.328 578 HH22 ARG 68 HH22 ARG 68 1.864 18.904 0.627 579 H ASN 69 H ASN 69 9.025 13.831 4.987 580 HA ASN 69 HA ASN 69 9.607 11.265 4.429 581 HB2 ASN 69 HB2 ASN 69 9.388 10.781 6.883 582 HB3 ASN 69 HB3 ASN 69 10.320 12.227 6.503 583 HD21 ASN 69 HD21 ASN 69 9.895 13.887 7.744 584 HD22 ASN 69 HD22 ASN 69 8.387 14.234 8.512 585 H VAL 70 H VAL 70 8.689 9.204 4.960 586 HA VAL 70 HA VAL 70 6.212 8.713 3.876 587 HB VAL 70 HB VAL 70 7.862 6.961 4.187 588 HG11 VAL 70 HG11 VAL 70 8.071 5.928 6.482 589 HG12 VAL 70 HG12 VAL 70 7.313 7.394 7.105 590 HG13 VAL 70 HG13 VAL 70 8.853 7.492 6.250 591 HG21 VAL 70 HG21 VAL 70 5.232 6.440 5.564 592 HG22 VAL 70 HG22 VAL 70 6.370 5.173 5.108 593 HG23 VAL 70 HG23 VAL 70 5.627 6.179 3.865 594 H ASP 71 H ASP 71 6.998 9.621 7.131 595 HA ASP 71 HA ASP 71 4.660 8.825 8.435 596 HB2 ASP 71 HB2 ASP 71 6.898 10.594 8.998 597 HB3 ASP 71 HB3 ASP 71 5.392 11.193 9.686 598 H VAL 72 H VAL 72 5.436 12.106 7.406 599 HA VAL 72 HA VAL 72 2.849 13.129 7.663 600 HB VAL 72 HB VAL 72 4.901 14.084 5.664 601 HG11 VAL 72 HG11 VAL 72 2.643 15.036 5.437 602 HG12 VAL 72 HG12 VAL 72 3.831 16.243 5.929 603 HG13 VAL 72 HG13 VAL 72 2.714 15.569 7.116 604 HG21 VAL 72 HG21 VAL 72 4.845 14.225 8.610 605 HG22 VAL 72 HG22 VAL 72 5.235 15.726 7.770 606 HG23 VAL 72 HG23 VAL 72 6.210 14.283 7.495 607 H HIS 73 H HIS 73 4.246 11.122 5.256 608 HA HIS 73 HA HIS 73 2.419 11.729 3.155 609 HB2 HIS 73 HB2 HIS 73 4.635 9.876 3.596 610 HB3 HIS 73 HB3 HIS 73 3.328 9.163 2.659 611 HD1 HIS 73 HD1 HIS 73 3.921 12.801 2.235 612 HD2 HIS 73 HD2 HIS 73 5.009 9.247 0.376 613 HE1 HIS 73 HE1 HIS 73 4.869 13.471 0.004 614 HE2 HIS 73 HE2 HIS 73 5.574 11.309 -1.080 615 H ILE 74 H ILE 74 2.501 9.507 5.834 616 HA ILE 74 HA ILE 74 0.394 7.828 5.003 617 HB ILE 74 HB ILE 74 1.335 8.455 7.801 618 HG12 ILE 74 HG12 ILE 74 1.904 5.835 6.581 619 HG13 ILE 74 HG13 ILE 74 2.714 7.193 5.807 620 HG21 ILE 74 HG21 ILE 74 -0.627 7.470 8.342 621 HG22 ILE 74 HG22 ILE 74 0.274 5.994 7.996 622 HG23 ILE 74 HG23 ILE 74 -0.790 6.685 6.771 623 HD11 ILE 74 HD11 ILE 74 4.271 7.026 7.367 624 HD12 ILE 74 HD12 ILE 74 3.308 5.871 8.288 625 HD13 ILE 74 HD13 ILE 74 3.079 7.602 8.532 626 H ALA 75 H ALA 75 0.467 10.817 6.818 627 HA ALA 75 HA ALA 75 -2.320 10.790 7.426 628 HB1 ALA 75 HB1 ALA 75 -0.714 13.306 7.408 629 HB2 ALA 75 HB2 ALA 75 -0.386 12.067 8.619 630 HB3 ALA 75 HB3 ALA 75 -1.987 12.799 8.517 631 H SER 76 H SER 76 -0.354 11.908 4.816 632 HA SER 76 HA SER 76 -2.314 13.614 3.643 633 HB2 SER 76 HB2 SER 76 0.371 12.636 2.941 634 HB3 SER 76 HB3 SER 76 -0.687 12.904 1.555 635 HG SER 76 HG SER 76 0.351 14.727 3.391 636 H LEU 77 H LEU 77 -1.718 10.221 3.676 637 HA LEU 77 HA LEU 77 -3.034 9.502 1.292 638 HB2 LEU 77 HB2 LEU 77 -2.149 8.128 3.743 639 HB3 LEU 77 HB3 LEU 77 -3.486 7.366 2.904 640 HG LEU 77 HG LEU 77 -1.690 7.882 0.869 641 HD11 LEU 77 HD11 LEU 77 0.383 7.980 1.637 642 HD12 LEU 77 HD12 LEU 77 0.157 6.461 2.505 643 HD13 LEU 77 HD13 LEU 77 -0.240 7.989 3.285 644 HD21 LEU 77 HD21 LEU 77 -1.587 5.283 2.321 645 HD22 LEU 77 HD22 LEU 77 -1.702 5.606 0.591 646 HD23 LEU 77 HD23 LEU 77 -3.118 5.811 1.622 647 H ARG 78 H ARG 78 -4.126 10.090 4.554 648 HA ARG 78 HA ARG 78 -6.746 9.140 4.284 649 HB2 ARG 78 HB2 ARG 78 -5.233 10.434 6.269 650 HB3 ARG 78 HB3 ARG 78 -6.648 11.445 6.014 651 HG2 ARG 78 HG2 ARG 78 -8.090 9.875 6.808 652 HG3 ARG 78 HG3 ARG 78 -7.073 8.525 6.302 653 HD2 ARG 78 HD2 ARG 78 -5.633 8.782 8.145 654 HD3 ARG 78 HD3 ARG 78 -6.262 10.387 8.515 655 HE ARG 78 HE ARG 78 -7.371 7.858 9.318 656 HH11 ARG 78 HH11 ARG 78 -8.058 11.230 8.731 657 HH12 ARG 78 HH12 ARG 78 -9.438 11.259 9.776 658 HH21 ARG 78 HH21 ARG 78 -9.190 7.894 10.688 659 HH22 ARG 78 HH22 ARG 78 -10.081 9.366 10.887 660 H LYS 79 H LYS 79 -5.237 11.964 3.048 661 HA LYS 79 HA LYS 79 -7.755 13.312 2.576 662 HB2 LYS 79 HB2 LYS 79 -4.924 14.071 2.526 663 HB3 LYS 79 HB3 LYS 79 -5.899 14.820 1.269 664 HG2 LYS 79 HG2 LYS 79 -7.304 15.869 2.838 665 HG3 LYS 79 HG3 LYS 79 -6.696 14.874 4.163 666 HD2 LYS 79 HD2 LYS 79 -4.595 15.981 4.144 667 HD3 LYS 79 HD3 LYS 79 -4.960 16.786 2.616 668 HE2 LYS 79 HE2 LYS 79 -6.966 17.784 3.957 669 HE3 LYS 79 HE3 LYS 79 -5.987 17.362 5.361 670 HZ1 LYS 79 HZ1 LYS 79 -5.620 19.649 4.594 671 HZ2 LYS 79 HZ2 LYS 79 -5.065 19.062 3.108 672 HZ3 LYS 79 HZ3 LYS 79 -4.207 18.721 4.525 673 H LYS 80 H LYS 80 -5.075 12.145 0.620 674 HA LYS 80 HA LYS 80 -6.557 12.467 -1.802 675 HB2 LYS 80 HB2 LYS 80 -3.819 11.528 -1.111 676 HB3 LYS 80 HB3 LYS 80 -4.478 11.118 -2.688 677 HG2 LYS 80 HG2 LYS 80 -3.398 13.074 -3.169 678 HG3 LYS 80 HG3 LYS 80 -5.015 13.673 -2.802 679 HD2 LYS 80 HD2 LYS 80 -3.802 13.628 -0.333 680 HD3 LYS 80 HD3 LYS 80 -2.491 14.119 -1.408 681 HE2 LYS 80 HE2 LYS 80 -3.800 15.953 -2.250 682 HE3 LYS 80 HE3 LYS 80 -5.213 15.413 -1.344 683 HZ1 LYS 80 HZ1 LYS 80 -3.513 15.680 0.642 684 HZ2 LYS 80 HZ2 LYS 80 -4.440 16.977 0.078 685 HZ3 LYS 80 HZ3 LYS 80 -2.829 16.815 -0.411 686 H LEU 81 H LEU 81 -5.297 9.709 -0.022 687 HA LEU 81 HA LEU 81 -6.509 7.749 -1.678 688 HB2 LEU 81 HB2 LEU 81 -4.569 7.573 0.095 689 HB3 LEU 81 HB3 LEU 81 -5.883 7.208 1.193 690 HG LEU 81 HG LEU 81 -5.486 5.076 0.611 691 HD11 LEU 81 HD11 LEU 81 -6.763 4.243 -1.238 692 HD12 LEU 81 HD12 LEU 81 -6.783 5.833 -1.999 693 HD13 LEU 81 HD13 LEU 81 -7.652 5.567 -0.487 694 HD21 LEU 81 HD21 LEU 81 -4.385 5.851 -2.073 695 HD22 LEU 81 HD22 LEU 81 -4.130 4.354 -1.178 696 HD23 LEU 81 HD23 LEU 81 -3.419 5.860 -0.598 697 H GLY 82 H GLY 82 -7.284 8.622 1.699 698 HA2 GLY 82 HA2 GLY 82 -9.612 9.279 2.194 699 HA3 GLY 82 HA3 GLY 82 -10.111 8.013 1.081 700 H ALA 83 H ALA 83 -11.300 6.800 2.496 701 HA ALA 83 HA ALA 83 -10.461 6.123 5.115 702 HB1 ALA 83 HB1 ALA 83 -12.790 6.065 4.597 703 HB2 ALA 83 HB2 ALA 83 -12.285 4.421 4.989 704 HB3 ALA 83 HB3 ALA 83 -12.530 4.892 3.307 705 H TYR 84 H TYR 84 -9.457 4.990 2.084 706 HA TYR 84 HA TYR 84 -8.768 2.324 2.957 707 HB2 TYR 84 HB2 TYR 84 -7.733 3.581 0.437 708 HB3 TYR 84 HB3 TYR 84 -8.141 1.898 0.750 709 HD1 TYR 84 HD1 TYR 84 -10.841 1.975 1.750 710 HD2 TYR 84 HD2 TYR 84 -9.057 4.347 -1.299 711 HE1 TYR 84 HE1 TYR 84 -13.053 2.323 0.734 712 HE2 TYR 84 HE2 TYR 84 -11.265 4.702 -2.322 713 HH TYR 84 HH TYR 84 -14.177 3.897 -0.737 714 H GLY 85 H GLY 85 -7.118 5.375 2.241 715 HA2 GLY 85 HA2 GLY 85 -4.475 4.517 2.530 716 HA3 GLY 85 HA3 GLY 85 -5.043 6.146 2.864 717 H SER 86 H SER 86 -6.906 5.273 4.924 718 HA SER 86 HA SER 86 -5.172 5.416 7.160 719 HB2 SER 86 HB2 SER 86 -7.406 6.352 7.295 720 HB3 SER 86 HB3 SER 86 -8.125 4.773 6.980 721 HG SER 86 HG SER 86 -7.201 5.830 9.315 722 H ARG 87 H ARG 87 -6.143 2.827 5.206 723 HA ARG 87 HA ARG 87 -6.487 0.657 6.826 724 HB2 ARG 87 HB2 ARG 87 -6.598 0.280 4.506 725 HB3 ARG 87 HB3 ARG 87 -5.012 0.982 4.226 726 HG2 ARG 87 HG2 ARG 87 -3.968 -0.947 5.308 727 HG3 ARG 87 HG3 ARG 87 -5.561 -1.653 5.579 728 HD2 ARG 87 HD2 ARG 87 -4.254 -1.076 2.923 729 HD3 ARG 87 HD3 ARG 87 -4.561 -2.660 3.630 730 HE ARG 87 HE ARG 87 -6.791 -2.483 3.035 731 HH11 ARG 87 HH11 ARG 87 -5.121 0.508 2.353 732 HH12 ARG 87 HH12 ARG 87 -6.413 1.154 1.400 733 HH21 ARG 87 HH21 ARG 87 -8.485 -1.633 1.780 734 HH22 ARG 87 HH22 ARG 87 -8.321 -0.060 1.073 735 H ILE 88 H ILE 88 -3.548 2.449 6.247 736 HA ILE 88 HA ILE 88 -1.743 0.567 7.375 737 HB ILE 88 HB ILE 88 -1.375 3.559 7.245 738 HG12 ILE 88 HG12 ILE 88 -0.250 1.778 5.149 739 HG13 ILE 88 HG13 ILE 88 -1.979 2.095 5.075 740 HG21 ILE 88 HG21 ILE 88 0.195 2.015 8.594 741 HG22 ILE 88 HG22 ILE 88 0.903 3.186 7.481 742 HG23 ILE 88 HG23 ILE 88 0.775 1.489 7.014 743 HD11 ILE 88 HD11 ILE 88 -1.640 4.409 4.807 744 HD12 ILE 88 HD12 ILE 88 -0.499 3.615 3.722 745 HD13 ILE 88 HD13 ILE 88 0.061 4.287 5.253 746 H VAL 89 H VAL 89 -2.026 -0.141 9.409 747 HA VAL 89 HA VAL 89 -2.670 1.828 11.499 748 HB VAL 89 HB VAL 89 -2.803 -1.172 11.775 749 HG11 VAL 89 HG11 VAL 89 -2.763 -0.224 13.904 750 HG12 VAL 89 HG12 VAL 89 -4.481 -0.444 13.575 751 HG13 VAL 89 HG13 VAL 89 -3.750 1.152 13.412 752 HG21 VAL 89 HG21 VAL 89 -5.263 -0.900 11.466 753 HG22 VAL 89 HG22 VAL 89 -4.319 -0.607 10.006 754 HG23 VAL 89 HG23 VAL 89 -4.963 0.752 10.927 755 H THR 90 H THR 90 -1.427 1.983 13.356 756 HA THR 90 HA THR 90 1.122 0.507 13.333 757 HB THR 90 HB THR 90 0.742 3.400 14.127 758 HG1 THR 90 HG1 THR 90 1.981 3.789 12.229 759 HG21 THR 90 HG21 THR 90 2.577 2.743 15.354 760 HG22 THR 90 HG22 THR 90 3.306 3.327 13.858 761 HG23 THR 90 HG23 THR 90 3.117 1.595 14.129 762 H LEU 91 H LEU 91 1.552 -0.564 15.144 763 HA LEU 91 HA LEU 91 0.028 0.138 17.565 764 HB2 LEU 91 HB2 LEU 91 0.690 -2.431 16.283 765 HB3 LEU 91 HB3 LEU 91 0.886 -2.402 18.025 766 HG LEU 91 HG LEU 91 -1.599 -1.237 17.644 767 HD11 LEU 91 HD11 LEU 91 -2.780 -2.305 16.015 768 HD12 LEU 91 HD12 LEU 91 -1.731 -3.722 16.025 769 HD13 LEU 91 HD13 LEU 91 -1.201 -2.239 15.232 770 HD21 LEU 91 HD21 LEU 91 -0.556 -3.855 18.557 771 HD22 LEU 91 HD22 LEU 91 -2.290 -3.732 18.262 772 HD23 LEU 91 HD23 LEU 91 -1.513 -2.651 19.419 773 H ARG 92 H ARG 92 1.091 -0.162 19.614 774 HA ARG 92 HA ARG 92 3.958 0.418 19.434 775 HB2 ARG 92 HB2 ARG 92 1.986 1.725 20.787 776 HB3 ARG 92 HB3 ARG 92 2.621 0.678 22.048 777 HG2 ARG 92 HG2 ARG 92 4.604 1.766 22.149 778 HG3 ARG 92 HG3 ARG 92 4.595 2.173 20.431 779 HD2 ARG 92 HD2 ARG 92 2.472 3.611 21.329 780 HD3 ARG 92 HD3 ARG 92 3.534 3.656 22.736 781 HE ARG 92 HE ARG 92 3.939 4.970 20.210 782 HH11 ARG 92 HH11 ARG 92 5.495 3.729 23.077 783 HH12 ARG 92 HH12 ARG 92 6.874 4.766 22.929 784 HH21 ARG 92 HH21 ARG 92 5.753 6.333 20.014 785 HH22 ARG 92 HH22 ARG 92 7.021 6.244 21.191 786 H GLY 93 H GLY 93 4.243 -1.950 19.010 787 HA2 GLY 93 HA2 GLY 93 5.497 -3.276 21.007 788 HA3 GLY 93 HA3 GLY 93 3.820 -3.744 21.235 789 H VAL 94 H VAL 94 3.341 -3.581 18.291 790 HA VAL 94 HA VAL 94 4.674 -6.107 17.563 791 HB VAL 94 HB VAL 94 2.260 -6.375 17.897 792 HG11 VAL 94 HG11 VAL 94 1.477 -4.162 17.399 793 HG12 VAL 94 HG12 VAL 94 0.691 -5.298 16.304 794 HG13 VAL 94 HG13 VAL 94 2.024 -4.296 15.728 795 HG21 VAL 94 HG21 VAL 94 2.193 -7.886 16.259 796 HG22 VAL 94 HG22 VAL 94 3.753 -7.244 15.743 797 HG23 VAL 94 HG23 VAL 94 2.266 -6.648 15.006 798 H GLY 95 H GLY 95 3.618 -2.944 16.425 799 HA2 GLY 95 HA2 GLY 95 5.169 -1.797 14.906 800 HA3 GLY 95 HA3 GLY 95 5.348 -3.325 14.060 801 H TYR 96 H TYR 96 4.809 -2.082 12.148 802 HA TYR 96 HA TYR 96 2.259 -0.863 11.844 803 HB2 TYR 96 HB2 TYR 96 4.564 -1.495 10.107 804 HB3 TYR 96 HB3 TYR 96 3.008 -1.414 9.288 805 HD1 TYR 96 HD1 TYR 96 1.667 0.699 9.419 806 HD2 TYR 96 HD2 TYR 96 5.674 0.470 10.830 807 HE1 TYR 96 HE1 TYR 96 1.820 3.153 9.364 808 HE2 TYR 96 HE2 TYR 96 5.838 2.924 10.780 809 HH TYR 96 HH TYR 96 4.651 4.822 9.466 810 H LEU 97 H LEU 97 0.345 -1.709 11.316 811 HA LEU 97 HA LEU 97 0.239 -4.411 10.189 812 HB2 LEU 97 HB2 LEU 97 -0.038 -4.512 12.676 813 HB3 LEU 97 HB3 LEU 97 -1.472 -3.518 12.510 814 HG LEU 97 HG LEU 97 -1.687 -6.110 12.734 815 HD11 LEU 97 HD11 LEU 97 -3.429 -4.290 12.149 816 HD12 LEU 97 HD12 LEU 97 -3.803 -5.982 11.821 817 HD13 LEU 97 HD13 LEU 97 -3.286 -4.922 10.509 818 HD21 LEU 97 HD21 LEU 97 -1.465 -7.412 10.847 819 HD22 LEU 97 HD22 LEU 97 -0.088 -6.322 10.685 820 HD23 LEU 97 HD23 LEU 97 -1.556 -6.031 9.753 821 H PHE 98 H PHE 98 -0.230 -3.170 8.263 822 HA PHE 98 HA PHE 98 -2.536 -1.522 8.080 823 HB2 PHE 98 HB2 PHE 98 -2.204 -1.878 5.570 824 HB3 PHE 98 HB3 PHE 98 -0.878 -1.125 6.447 825 HD1 PHE 98 HD1 PHE 98 1.196 -2.354 6.859 826 HD2 PHE 98 HD2 PHE 98 -1.980 -4.050 4.592 827 HE1 PHE 98 HE1 PHE 98 2.734 -4.067 5.992 828 HE2 PHE 98 HE2 PHE 98 -0.447 -5.766 3.720 829 HZ PHE 98 HZ PHE 98 1.914 -5.775 4.421 830 H SER 99 H SER 99 -4.210 -2.741 9.006 831 HA SER 99 HA SER 99 -5.128 -5.035 7.402 832 HB2 SER 99 HB2 SER 99 -5.201 -4.443 10.310 833 HB3 SER 99 HB3 SER 99 -6.608 -5.264 9.637 834 HG SER 99 HG SER 99 -5.213 -6.861 10.183 835 H ASP 100 H ASP 100 -6.930 -4.824 6.260 836 HA ASP 100 HA ASP 100 -8.955 -2.892 7.091 837 HB2 ASP 100 HB2 ASP 100 -7.188 -2.452 4.926 838 HB3 ASP 100 HB3 ASP 100 -8.766 -2.808 4.233 839 H ASP 101 H ASP 101 -8.079 -5.509 4.934 840 HA ASP 101 HA ASP 101 -10.555 -6.848 5.421 841 HB2 ASP 101 HB2 ASP 101 -10.973 -5.126 3.536 842 HB3 ASP 101 HB3 ASP 101 -10.011 -6.210 2.535 843 H GLY 102 H GLY 102 -7.964 -6.769 2.963 844 HA2 GLY 102 HA2 GLY 102 -6.185 -8.477 3.220 845 HA3 GLY 102 HA3 GLY 102 -7.469 -9.617 3.586 846 H ASP 103 H ASP 103 -8.022 -7.286 1.087 847 HA ASP 103 HA ASP 103 -8.466 -9.297 -0.851 848 HB2 ASP 103 HB2 ASP 103 -8.722 -6.398 -0.677 849 HB3 ASP 103 HB3 ASP 103 -8.176 -6.924 -2.267 850 H LYS 104 H LYS 104 -6.379 -10.401 -0.698 851 HA LYS 104 HA LYS 104 -4.287 -9.075 -2.248 852 HB2 LYS 104 HB2 LYS 104 -3.962 -9.942 0.243 853 HB3 LYS 104 HB3 LYS 104 -3.664 -11.462 -0.589 854 HG2 LYS 104 HG2 LYS 104 -2.040 -9.987 -2.030 855 HG3 LYS 104 HG3 LYS 104 -2.077 -8.948 -0.604 856 HD2 LYS 104 HD2 LYS 104 -0.392 -10.278 0.090 857 HD3 LYS 104 HD3 LYS 104 -1.706 -11.361 0.554 858 HE2 LYS 104 HE2 LYS 104 -0.356 -12.782 -0.650 859 HE3 LYS 104 HE3 LYS 104 -1.474 -12.228 -1.896 860 HZ1 LYS 104 HZ1 LYS 104 1.031 -12.219 -2.388 861 HZ2 LYS 104 HZ2 LYS 104 1.075 -10.818 -1.442 862 HZ3 LYS 104 HZ3 LYS 104 0.120 -10.866 -2.837 863 H LYS 105 H LYS 105 -3.240 -10.214 -3.893 864 HA LYS 105 HA LYS 105 -4.808 -11.963 -5.408 865 HB2 LYS 105 HB2 LYS 105 -2.831 -12.274 -6.801 866 HB3 LYS 105 HB3 LYS 105 -3.006 -10.582 -6.355 867 HG2 LYS 105 HG2 LYS 105 -1.265 -10.769 -4.720 868 HG3 LYS 105 HG3 LYS 105 -1.170 -12.515 -4.959 869 HD2 LYS 105 HD2 LYS 105 0.491 -12.026 -6.388 870 HD3 LYS 105 HD3 LYS 105 -0.806 -11.581 -7.498 871 HE2 LYS 105 HE2 LYS 105 -0.021 -9.505 -7.548 872 HE3 LYS 105 HE3 LYS 105 -0.351 -9.354 -5.822 873 HZ1 LYS 105 HZ1 LYS 105 2.169 -9.908 -7.192 874 HZ2 LYS 105 HZ2 LYS 105 1.924 -10.653 -5.694 875 HZ3 LYS 105 HZ3 LYS 105 1.868 -8.967 -5.818 876 H PHE 106 H PHE 106 -4.853 -14.161 -5.663 877 HA PHE 106 HA PHE 106 -4.246 -15.781 -3.459 878 HB2 PHE 106 HB2 PHE 106 -5.353 -16.144 -6.141 879 HB3 PHE 106 HB3 PHE 106 -4.443 -17.542 -5.580 880 HD1 PHE 106 HD1 PHE 106 -6.970 -15.131 -4.261 881 HD2 PHE 106 HD2 PHE 106 -5.613 -19.160 -4.462 882 HE1 PHE 106 HE1 PHE 106 -8.907 -15.846 -2.923 883 HE2 PHE 106 HE2 PHE 106 -7.549 -19.882 -3.125 884 HZ PHE 106 HZ PHE 106 -9.198 -18.224 -2.354 885 H SER 107 H SER 107 -2.148 -15.838 -2.810 886 HA SER 107 HA SER 107 0.082 -15.965 -4.525 887 HB2 SER 107 HB2 SER 107 0.400 -15.184 -2.280 888 HB3 SER 107 HB3 SER 107 -0.246 -16.681 -1.606 889 HG SER 107 HG SER 107 2.021 -16.681 -1.539 890 H GLN 108 H GLN 108 -0.262 -17.607 -6.039 891 HA GLN 108 HA GLN 108 -0.893 -20.273 -5.378 892 HB2 GLN 108 HB2 GLN 108 -1.224 -19.377 -7.626 893 HB3 GLN 108 HB3 GLN 108 0.511 -19.164 -7.815 894 HG2 GLN 108 HG2 GLN 108 0.316 -21.816 -7.181 895 HG3 GLN 108 HG3 GLN 108 -1.137 -21.545 -8.142 896 HE21 GLN 108 HE21 GLN 108 -0.965 -21.342 -10.294 897 HE22 GLN 108 HE22 GLN 108 0.525 -21.360 -11.168 898 H GLN 109 H GLN 109 2.197 -19.225 -6.802 899 HA GLN 109 HA GLN 109 3.614 -21.465 -5.850 900 HB2 GLN 109 HB2 GLN 109 4.189 -19.067 -7.382 901 HB3 GLN 109 HB3 GLN 109 5.512 -19.471 -6.296 902 HG2 GLN 109 HG2 GLN 109 4.340 -21.644 -7.942 903 HG3 GLN 109 HG3 GLN 109 5.362 -20.448 -8.737 904 HE21 GLN 109 HE21 GLN 109 7.312 -21.250 -9.005 905 HE22 GLN 109 HE22 GLN 109 8.212 -22.157 -7.843 906 H ASP 110 H ASP 110 4.739 -21.839 -4.024 907 HA ASP 110 HA ASP 110 4.851 -19.666 -2.043 908 HB2 ASP 110 HB2 ASP 110 3.418 -21.910 -1.725 909 HB3 ASP 110 HB3 ASP 110 4.969 -22.482 -1.118 910 H THR 111 H THR 111 6.523 -22.375 -3.461 911 HA THR 111 HA THR 111 9.062 -21.201 -2.879 912 HB THR 111 HB THR 111 9.601 -23.708 -1.879 913 HG1 THR 111 HG1 THR 111 8.032 -24.103 -0.325 914 HG21 THR 111 HG21 THR 111 10.603 -21.885 -0.830 915 HG22 THR 111 HG22 THR 111 9.534 -22.569 0.395 916 HG23 THR 111 HG23 THR 111 9.054 -21.117 -0.483 917 H LYS 112 H LYS 112 10.099 -21.421 -4.739 918 HA LYS 112 HA LYS 112 9.387 -23.314 -6.712 919 HB2 LYS 112 HB2 LYS 112 11.441 -22.495 -7.884 920 HB3 LYS 112 HB3 LYS 112 10.327 -21.223 -7.403 921 HG2 LYS 112 HG2 LYS 112 12.390 -21.821 -5.417 922 HG3 LYS 112 HG3 LYS 112 13.008 -21.213 -6.954 923 HD2 LYS 112 HD2 LYS 112 10.976 -19.499 -6.574 924 HD3 LYS 112 HD3 LYS 112 11.372 -19.866 -4.894 925 HE2 LYS 112 HE2 LYS 112 13.836 -19.450 -5.772 926 HE3 LYS 112 HE3 LYS 112 12.983 -18.482 -6.973 927 HZ1 LYS 112 HZ1 LYS 112 12.192 -18.070 -4.208 928 HZ2 LYS 112 HZ2 LYS 112 12.404 -16.945 -5.452 929 HZ3 LYS 112 HZ3 LYS 112 13.747 -17.541 -4.614 930 H LEU 113 H LEU 113 9.961 -25.374 -6.915 931 HA LEU 113 HA LEU 113 11.607 -26.693 -5.060 932 HB2 LEU 113 HB2 LEU 113 9.801 -27.463 -6.973 933 HB3 LEU 113 HB3 LEU 113 11.315 -28.021 -7.658 934 HG LEU 113 HG LEU 113 10.357 -29.824 -6.417 935 HD11 LEU 113 HD11 LEU 113 12.345 -28.967 -4.412 936 HD12 LEU 113 HD12 LEU 113 12.887 -29.004 -6.090 937 HD13 LEU 113 HD13 LEU 113 12.236 -30.462 -5.340 938 HD21 LEU 113 HD21 LEU 113 8.822 -28.762 -4.979 939 HD22 LEU 113 HD22 LEU 113 10.086 -27.801 -4.210 940 HD23 LEU 113 HD23 LEU 113 10.002 -29.539 -3.923 941 H SER 114 H SER 114 13.661 -25.893 -4.920 942 HA SER 114 HA SER 114 15.305 -25.199 -7.085 943 HB2 SER 114 HB2 SER 114 15.800 -24.414 -4.842 944 HB3 SER 114 HB3 SER 114 16.045 -26.068 -4.282 945 HG SER 114 HG SER 114 17.953 -26.130 -5.237 946 H LEU 115 H LEU 115 16.382 -26.393 -8.513 947 HA LEU 115 HA LEU 115 16.204 -29.209 -8.538 948 HB2 LEU 115 HB2 LEU 115 18.161 -28.732 -10.326 949 HB3 LEU 115 HB3 LEU 115 16.455 -28.567 -10.680 950 HG LEU 115 HG LEU 115 17.817 -26.162 -9.610 951 HD11 LEU 115 HD11 LEU 115 19.216 -27.475 -11.479 952 HD12 LEU 115 HD12 LEU 115 19.166 -25.718 -11.342 953 HD13 LEU 115 HD13 LEU 115 18.129 -26.541 -12.507 954 HD21 LEU 115 HD21 LEU 115 16.327 -25.026 -11.079 955 HD22 LEU 115 HD22 LEU 115 15.405 -26.297 -10.275 956 HD23 LEU 115 HD23 LEU 115 15.944 -26.517 -11.940 957 H GLU 116 H GLU 116 18.353 -30.490 -9.013 958 HA GLU 116 HA GLU 116 20.440 -29.713 -7.108 959 HB2 GLU 116 HB2 GLU 116 18.729 -31.321 -6.086 960 HB3 GLU 116 HB3 GLU 116 19.372 -32.529 -7.190 961 HG2 GLU 116 HG2 GLU 116 20.812 -33.012 -5.570 962 HG3 GLU 116 HG3 GLU 116 21.637 -31.522 -6.025 Start of MODEL 25 1 H1 HIS 1 H1 HIS 1 10.123 -15.482 -1.657 2 H2 HIS 1 H2 HIS 1 10.770 -16.693 -0.628 3 H3 HIS 1 H3 HIS 1 9.972 -15.331 0.044 4 HA HIS 1 HA HIS 1 8.654 -17.237 -1.758 5 HB2 HIS 1 HB2 HIS 1 9.550 -17.587 0.968 6 HB3 HIS 1 HB3 HIS 1 7.792 -17.642 0.893 7 HD1 HIS 1 HD1 HIS 1 6.883 -19.892 0.450 8 HD2 HIS 1 HD2 HIS 1 10.711 -19.446 -1.104 9 HE1 HIS 1 HE1 HIS 1 7.477 -22.132 -0.530 10 HE2 HIS 1 HE2 HIS 1 9.763 -21.812 -1.538 11 H SER 2 H SER 2 8.300 -15.014 1.012 12 HA SER 2 HA SER 2 5.609 -14.336 0.078 13 HB2 SER 2 HB2 SER 2 5.993 -14.979 2.478 14 HB3 SER 2 HB3 SER 2 6.950 -13.509 2.660 15 HG SER 2 HG SER 2 5.133 -12.293 2.242 16 H VAL 3 H VAL 3 5.878 -12.899 -1.567 17 HA VAL 3 HA VAL 3 7.168 -10.346 -0.865 18 HB VAL 3 HB VAL 3 7.759 -10.102 -3.293 19 HG11 VAL 3 HG11 VAL 3 9.147 -11.259 -1.251 20 HG12 VAL 3 HG12 VAL 3 9.823 -10.847 -2.827 21 HG13 VAL 3 HG13 VAL 3 9.264 -12.489 -2.509 22 HG21 VAL 3 HG21 VAL 3 6.423 -11.624 -4.438 23 HG22 VAL 3 HG22 VAL 3 6.787 -12.936 -3.317 24 HG23 VAL 3 HG23 VAL 3 8.011 -12.389 -4.463 25 HA PRO 4 HA PRO 4 2.821 -9.347 -1.845 26 HB2 PRO 4 HB2 PRO 4 3.580 -6.831 -0.493 27 HB3 PRO 4 HB3 PRO 4 2.246 -7.934 -0.147 28 HG2 PRO 4 HG2 PRO 4 4.350 -7.795 1.484 29 HG3 PRO 4 HG3 PRO 4 3.575 -9.349 1.129 30 HD2 PRO 4 HD2 PRO 4 6.080 -8.179 -0.043 31 HD3 PRO 4 HD3 PRO 4 5.786 -9.827 0.553 32 H GLU 5 H GLU 5 3.897 -9.275 -4.075 33 HA GLU 5 HA GLU 5 4.618 -6.610 -4.970 34 HB2 GLU 5 HB2 GLU 5 4.730 -9.362 -6.106 35 HB3 GLU 5 HB3 GLU 5 4.707 -8.000 -7.212 36 HG2 GLU 5 HG2 GLU 5 6.599 -7.097 -5.662 37 HG3 GLU 5 HG3 GLU 5 6.768 -8.796 -5.230 38 H SER 6 H SER 6 1.827 -8.212 -4.434 39 HA SER 6 HA SER 6 0.328 -6.460 -6.209 40 HB2 SER 6 HB2 SER 6 0.454 -9.400 -6.473 41 HB3 SER 6 HB3 SER 6 -1.175 -8.725 -6.458 42 HG SER 6 HG SER 6 -0.462 -7.296 -8.144 43 H ILE 7 H ILE 7 -1.770 -5.982 -5.431 44 HA ILE 7 HA ILE 7 -2.376 -7.086 -2.770 45 HB ILE 7 HB ILE 7 -3.094 -4.254 -3.367 46 HG12 ILE 7 HG12 ILE 7 -0.917 -3.616 -2.187 47 HG13 ILE 7 HG13 ILE 7 -0.359 -5.243 -2.566 48 HG21 ILE 7 HG21 ILE 7 -2.776 -4.075 -0.904 49 HG22 ILE 7 HG22 ILE 7 -2.450 -5.807 -0.875 50 HG23 ILE 7 HG23 ILE 7 -4.028 -5.216 -1.396 51 HD11 ILE 7 HD11 ILE 7 -0.012 -4.749 -4.724 52 HD12 ILE 7 HD12 ILE 7 0.042 -3.090 -4.129 53 HD13 ILE 7 HD13 ILE 7 -1.445 -3.727 -4.832 54 H ARG 8 H ARG 8 -3.757 -8.488 -4.139 55 HA ARG 8 HA ARG 8 -6.124 -7.188 -5.234 56 HB2 ARG 8 HB2 ARG 8 -4.692 -9.496 -5.914 57 HB3 ARG 8 HB3 ARG 8 -6.212 -10.085 -5.252 58 HG2 ARG 8 HG2 ARG 8 -7.459 -8.757 -6.842 59 HG3 ARG 8 HG3 ARG 8 -5.964 -8.058 -7.467 60 HD2 ARG 8 HD2 ARG 8 -6.557 -11.011 -7.495 61 HD3 ARG 8 HD3 ARG 8 -6.945 -9.930 -8.834 62 HE ARG 8 HE ARG 8 -4.195 -9.815 -7.988 63 HH11 ARG 8 HH11 ARG 8 -6.499 -11.423 -10.058 64 HH12 ARG 8 HH12 ARG 8 -5.299 -11.964 -11.183 65 HH21 ARG 8 HH21 ARG 8 -2.616 -10.518 -9.475 66 HH22 ARG 8 HH22 ARG 8 -3.096 -11.448 -10.855 67 H PHE 9 H PHE 9 -7.213 -6.462 -3.429 68 HA PHE 9 HA PHE 9 -8.017 -8.469 -1.443 69 HB2 PHE 9 HB2 PHE 9 -8.997 -6.216 -0.385 70 HB3 PHE 9 HB3 PHE 9 -7.329 -6.720 -0.145 71 HD1 PHE 9 HD1 PHE 9 -9.215 -4.911 -2.823 72 HD2 PHE 9 HD2 PHE 9 -5.841 -4.991 -0.231 73 HE1 PHE 9 HE1 PHE 9 -8.439 -2.778 -3.772 74 HE2 PHE 9 HE2 PHE 9 -5.060 -2.858 -1.175 75 HZ PHE 9 HZ PHE 9 -6.360 -1.749 -2.948 76 H GLY 10 H GLY 10 -9.406 -9.334 -3.247 77 HA2 GLY 10 HA2 GLY 10 -11.712 -9.788 -3.532 78 HA3 GLY 10 HA3 GLY 10 -12.074 -8.162 -2.971 79 HA PRO 11 HA PRO 11 -12.700 -7.911 -7.490 80 HB2 PRO 11 HB2 PRO 11 -14.428 -5.823 -7.391 81 HB3 PRO 11 HB3 PRO 11 -14.932 -7.496 -7.130 82 HG2 PRO 11 HG2 PRO 11 -14.342 -5.360 -5.117 83 HG3 PRO 11 HG3 PRO 11 -15.669 -6.536 -5.144 84 HD2 PRO 11 HD2 PRO 11 -13.466 -6.860 -3.603 85 HD3 PRO 11 HD3 PRO 11 -14.354 -8.229 -4.300 86 H ASN 12 H ASN 12 -11.305 -5.847 -5.188 87 HA ASN 12 HA ASN 12 -10.579 -3.838 -7.201 88 HB2 ASN 12 HB2 ASN 12 -10.377 -3.813 -4.185 89 HB3 ASN 12 HB3 ASN 12 -9.751 -2.535 -5.223 90 HD21 ASN 12 HD21 ASN 12 -11.042 -0.874 -5.479 91 HD22 ASN 12 HD22 ASN 12 -12.766 -0.892 -5.367 92 H VAL 13 H VAL 13 -8.801 -4.385 -8.291 93 HA VAL 13 HA VAL 13 -6.628 -5.793 -6.929 94 HB VAL 13 HB VAL 13 -6.823 -5.075 -9.856 95 HG11 VAL 13 HG11 VAL 13 -4.757 -5.873 -9.984 96 HG12 VAL 13 HG12 VAL 13 -5.329 -7.430 -9.386 97 HG13 VAL 13 HG13 VAL 13 -4.753 -6.208 -8.253 98 HG21 VAL 13 HG21 VAL 13 -7.885 -7.419 -8.329 99 HG22 VAL 13 HG22 VAL 13 -7.386 -7.600 -10.011 100 HG23 VAL 13 HG23 VAL 13 -8.663 -6.459 -9.587 101 H PHE 14 H PHE 14 -4.875 -4.756 -6.218 102 HA PHE 14 HA PHE 14 -4.354 -2.044 -7.251 103 HB2 PHE 14 HB2 PHE 14 -5.097 -2.236 -4.843 104 HB3 PHE 14 HB3 PHE 14 -3.596 -3.091 -4.525 105 HD1 PHE 14 HD1 PHE 14 -1.418 -1.832 -5.286 106 HD2 PHE 14 HD2 PHE 14 -5.169 0.030 -4.544 107 HE1 PHE 14 HE1 PHE 14 -0.275 0.315 -4.925 108 HE2 PHE 14 HE2 PHE 14 -4.035 2.180 -4.183 109 HZ PHE 14 HZ PHE 14 -1.584 2.327 -4.373 110 H TYR 15 H TYR 15 -2.216 -1.426 -7.631 111 HA TYR 15 HA TYR 15 -0.285 -3.653 -7.739 112 HB2 TYR 15 HB2 TYR 15 -0.931 -1.481 -9.689 113 HB3 TYR 15 HB3 TYR 15 0.720 -2.088 -9.617 114 HD1 TYR 15 HD1 TYR 15 -2.786 -3.352 -9.853 115 HD2 TYR 15 HD2 TYR 15 1.287 -3.881 -10.959 116 HE1 TYR 15 HE1 TYR 15 -3.428 -5.234 -11.296 117 HE2 TYR 15 HE2 TYR 15 0.656 -5.766 -12.405 118 HH TYR 15 HH TYR 15 -1.755 -6.394 -13.665 119 H VAL 16 H VAL 16 1.534 -3.406 -6.625 120 HA VAL 16 HA VAL 16 2.004 -1.078 -5.060 121 HB VAL 16 HB VAL 16 4.276 -2.240 -4.639 122 HG11 VAL 16 HG11 VAL 16 2.012 -3.999 -3.843 123 HG12 VAL 16 HG12 VAL 16 2.002 -2.315 -3.319 124 HG13 VAL 16 HG13 VAL 16 3.346 -3.368 -2.878 125 HG21 VAL 16 HG21 VAL 16 3.059 -4.777 -5.461 126 HG22 VAL 16 HG22 VAL 16 4.736 -4.239 -5.558 127 HG23 VAL 16 HG23 VAL 16 3.577 -3.743 -6.792 128 H LEU 17 H LEU 17 2.898 -1.989 -8.247 129 HA LEU 17 HA LEU 17 5.025 0.033 -8.314 130 HB2 LEU 17 HB2 LEU 17 4.415 -2.394 -9.923 131 HB3 LEU 17 HB3 LEU 17 5.217 -1.063 -10.733 132 HG LEU 17 HG LEU 17 6.795 -2.765 -9.907 133 HD11 LEU 17 HD11 LEU 17 7.741 -0.638 -10.174 134 HD12 LEU 17 HD12 LEU 17 8.237 -1.155 -8.563 135 HD13 LEU 17 HD13 LEU 17 6.921 0.002 -8.751 136 HD21 LEU 17 HD21 LEU 17 5.680 -1.982 -7.222 137 HD22 LEU 17 HD22 LEU 17 7.203 -2.845 -7.437 138 HD23 LEU 17 HD23 LEU 17 5.690 -3.582 -7.964 139 H LYS 18 H LYS 18 2.293 -1.079 -10.327 140 HA LYS 18 HA LYS 18 2.232 1.198 -11.980 141 HB2 LYS 18 HB2 LYS 18 0.097 -0.825 -11.306 142 HB3 LYS 18 HB3 LYS 18 -0.107 0.430 -12.520 143 HG2 LYS 18 HG2 LYS 18 2.007 -0.527 -13.596 144 HG3 LYS 18 HG3 LYS 18 1.744 -1.925 -12.551 145 HD2 LYS 18 HD2 LYS 18 0.092 -2.692 -13.844 146 HD3 LYS 18 HD3 LYS 18 -0.687 -1.111 -13.909 147 HE2 LYS 18 HE2 LYS 18 1.772 -1.656 -15.523 148 HE3 LYS 18 HE3 LYS 18 0.194 -2.194 -16.096 149 HZ1 LYS 18 HZ1 LYS 18 -0.597 0.055 -16.044 150 HZ2 LYS 18 HZ2 LYS 18 0.835 0.009 -16.944 151 HZ3 LYS 18 HZ3 LYS 18 0.850 0.607 -15.362 152 H LEU 19 H LEU 19 0.556 0.419 -8.970 153 HA LEU 19 HA LEU 19 -0.472 1.750 -7.437 154 HB2 LEU 19 HB2 LEU 19 0.231 4.194 -9.020 155 HB3 LEU 19 HB3 LEU 19 0.074 4.012 -7.283 156 HG LEU 19 HG LEU 19 2.207 2.331 -8.232 157 HD11 LEU 19 HD11 LEU 19 2.578 3.724 -10.079 158 HD12 LEU 19 HD12 LEU 19 3.719 4.282 -8.855 159 HD13 LEU 19 HD13 LEU 19 2.235 5.185 -9.154 160 HD21 LEU 19 HD21 LEU 19 3.329 4.336 -6.740 161 HD22 LEU 19 HD22 LEU 19 2.627 2.850 -6.100 162 HD23 LEU 19 HD23 LEU 19 1.660 4.323 -6.172 163 H THR 20 H THR 20 -2.044 0.613 -9.352 164 HA THR 20 HA THR 20 -4.122 2.659 -9.694 165 HB THR 20 HB THR 20 -3.384 0.608 -11.792 166 HG1 THR 20 HG1 THR 20 -2.055 2.062 -12.465 167 HG21 THR 20 HG21 THR 20 -4.948 1.684 -13.234 168 HG22 THR 20 HG22 THR 20 -5.308 2.907 -12.015 169 HG23 THR 20 HG23 THR 20 -5.786 1.230 -11.751 170 H VAL 21 H VAL 21 -5.899 2.047 -8.661 171 HA VAL 21 HA VAL 21 -6.271 -0.747 -7.946 172 HB VAL 21 HB VAL 21 -8.214 1.419 -7.230 173 HG11 VAL 21 HG11 VAL 21 -7.629 -1.316 -6.408 174 HG12 VAL 21 HG12 VAL 21 -9.107 -0.370 -6.234 175 HG13 VAL 21 HG13 VAL 21 -7.809 -0.201 -5.054 176 HG21 VAL 21 HG21 VAL 21 -5.410 1.251 -6.405 177 HG22 VAL 21 HG22 VAL 21 -6.555 1.333 -5.066 178 HG23 VAL 21 HG23 VAL 21 -6.547 2.595 -6.298 179 H GLU 22 H GLU 22 -7.043 -1.909 -9.626 180 HA GLU 22 HA GLU 22 -8.923 -0.908 -11.513 181 HB2 GLU 22 HB2 GLU 22 -8.101 -3.750 -10.892 182 HB3 GLU 22 HB3 GLU 22 -9.047 -3.256 -12.289 183 HG2 GLU 22 HG2 GLU 22 -7.236 -2.109 -13.245 184 HG3 GLU 22 HG3 GLU 22 -6.315 -2.149 -11.742 185 H THR 23 H THR 23 -11.082 -0.885 -11.459 186 HA THR 23 HA THR 23 -12.438 -2.440 -9.358 187 HB THR 23 HB THR 23 -14.054 -0.581 -9.139 188 HG1 THR 23 HG1 THR 23 -12.300 0.677 -10.966 189 HG21 THR 23 HG21 THR 23 -12.374 1.178 -8.257 190 HG22 THR 23 HG22 THR 23 -11.172 -0.071 -8.581 191 HG23 THR 23 HG23 THR 23 -12.496 -0.390 -7.461 192 HA PRO 24 HA PRO 24 -15.099 -4.373 -12.270 193 HB2 PRO 24 HB2 PRO 24 -17.318 -3.132 -10.697 194 HB3 PRO 24 HB3 PRO 24 -17.125 -4.803 -11.235 195 HG2 PRO 24 HG2 PRO 24 -16.640 -4.122 -8.711 196 HG3 PRO 24 HG3 PRO 24 -15.625 -5.311 -9.549 197 HD2 PRO 24 HD2 PRO 24 -15.027 -2.497 -8.818 198 HD3 PRO 24 HD3 PRO 24 -13.938 -3.882 -8.995 199 H GLU 25 H GLU 25 -16.159 -1.117 -11.292 200 HA GLU 25 HA GLU 25 -17.542 -0.584 -13.721 201 HB2 GLU 25 HB2 GLU 25 -16.928 0.836 -11.240 202 HB3 GLU 25 HB3 GLU 25 -16.921 1.888 -12.648 203 HG2 GLU 25 HG2 GLU 25 -19.128 1.938 -12.674 204 HG3 GLU 25 HG3 GLU 25 -19.203 0.180 -12.770 205 H GLY 26 H GLY 26 -14.429 0.583 -12.428 206 HA2 GLY 26 HA2 GLY 26 -13.304 0.607 -15.092 207 HA3 GLY 26 HA3 GLY 26 -13.537 2.203 -14.395 208 H SER 27 H SER 27 -11.892 3.015 -13.290 209 HA SER 27 HA SER 27 -10.123 1.254 -11.787 210 HB2 SER 27 HB2 SER 27 -9.214 1.578 -14.160 211 HB3 SER 27 HB3 SER 27 -8.939 3.259 -13.707 212 HG SER 27 HG SER 27 -7.197 1.556 -13.379 213 H VAL 28 H VAL 28 -8.579 2.520 -10.424 214 HA VAL 28 HA VAL 28 -9.684 5.161 -9.722 215 HB VAL 28 HB VAL 28 -8.546 3.283 -7.667 216 HG11 VAL 28 HG11 VAL 28 -10.425 5.627 -7.422 217 HG12 VAL 28 HG12 VAL 28 -8.685 5.687 -7.138 218 HG13 VAL 28 HG13 VAL 28 -9.714 4.702 -6.099 219 HG21 VAL 28 HG21 VAL 28 -10.463 2.175 -8.749 220 HG22 VAL 28 HG22 VAL 28 -11.463 3.580 -8.379 221 HG23 VAL 28 HG23 VAL 28 -10.795 2.603 -7.071 222 H HIS 29 H HIS 29 -8.094 6.376 -10.681 223 HA HIS 29 HA HIS 29 -5.307 5.778 -10.347 224 HB2 HIS 29 HB2 HIS 29 -6.674 8.263 -11.404 225 HB3 HIS 29 HB3 HIS 29 -4.947 7.933 -11.507 226 HD1 HIS 29 HD1 HIS 29 -8.198 6.303 -12.640 227 HD2 HIS 29 HD2 HIS 29 -4.237 6.725 -13.820 228 HE1 HIS 29 HE1 HIS 29 -8.045 5.188 -14.887 229 HE2 HIS 29 HE2 HIS 29 -5.614 5.354 -15.527 230 H LEU 30 H LEU 30 -3.938 6.497 -8.810 231 HA LEU 30 HA LEU 30 -4.834 8.675 -7.054 232 HB2 LEU 30 HB2 LEU 30 -3.796 7.301 -5.149 233 HB3 LEU 30 HB3 LEU 30 -5.386 6.843 -5.730 234 HG LEU 30 HG LEU 30 -4.417 5.016 -7.027 235 HD11 LEU 30 HD11 LEU 30 -1.919 4.539 -6.317 236 HD12 LEU 30 HD12 LEU 30 -1.878 6.295 -6.172 237 HD13 LEU 30 HD13 LEU 30 -2.310 5.547 -7.710 238 HD21 LEU 30 HD21 LEU 30 -3.846 5.202 -4.101 239 HD22 LEU 30 HD22 LEU 30 -3.361 3.769 -5.009 240 HD23 LEU 30 HD23 LEU 30 -5.059 4.243 -4.950 241 H THR 31 H THR 31 -3.049 9.522 -5.679 242 HA THR 31 HA THR 31 -0.770 10.104 -7.268 243 HB THR 31 HB THR 31 -0.065 11.499 -5.451 244 HG1 THR 31 HG1 THR 31 -1.968 10.126 -3.860 245 HG21 THR 31 HG21 THR 31 -1.750 12.987 -5.419 246 HG22 THR 31 HG22 THR 31 -2.952 11.783 -4.952 247 HG23 THR 31 HG23 THR 31 -2.432 11.904 -6.633 248 HA PRO 32 HA PRO 32 1.388 6.290 -6.243 249 HB2 PRO 32 HB2 PRO 32 3.637 7.891 -7.354 250 HB3 PRO 32 HB3 PRO 32 3.128 6.245 -7.744 251 HG2 PRO 32 HG2 PRO 32 2.601 8.281 -9.392 252 HG3 PRO 32 HG3 PRO 32 1.445 6.958 -9.160 253 HD2 PRO 32 HD2 PRO 32 1.365 9.745 -8.117 254 HD3 PRO 32 HD3 PRO 32 0.034 8.673 -8.589 255 H SER 33 H SER 33 2.139 9.497 -5.189 256 HA SER 33 HA SER 33 4.266 8.707 -3.433 257 HB2 SER 33 HB2 SER 33 4.203 11.006 -2.621 258 HB3 SER 33 HB3 SER 33 4.123 10.997 -4.383 259 HG SER 33 HG SER 33 2.055 11.604 -4.316 260 H GLU 34 H GLU 34 0.849 9.327 -3.156 261 HA GLU 34 HA GLU 34 0.872 8.851 -0.301 262 HB2 GLU 34 HB2 GLU 34 -1.476 9.226 -2.176 263 HB3 GLU 34 HB3 GLU 34 -1.554 9.223 -0.420 264 HG2 GLU 34 HG2 GLU 34 -0.381 11.264 -0.266 265 HG3 GLU 34 HG3 GLU 34 0.091 11.203 -1.963 266 H SER 35 H SER 35 -0.037 7.256 -3.258 267 HA SER 35 HA SER 35 -1.001 4.912 -1.870 268 HB2 SER 35 HB2 SER 35 -1.829 4.252 -3.878 269 HB3 SER 35 HB3 SER 35 -1.534 5.927 -4.339 270 HG SER 35 HG SER 35 -0.299 3.640 -5.180 271 H GLY 36 H GLY 36 1.976 6.237 -2.727 272 HA2 GLY 36 HA2 GLY 36 3.387 3.775 -3.179 273 HA3 GLY 36 HA3 GLY 36 4.104 5.362 -2.967 274 H ILE 37 H ILE 37 2.724 5.888 -0.473 275 HA ILE 37 HA ILE 37 4.617 4.723 1.293 276 HB ILE 37 HB ILE 37 3.733 6.887 1.849 277 HG12 ILE 37 HG12 ILE 37 2.582 4.946 3.856 278 HG13 ILE 37 HG13 ILE 37 4.308 5.251 3.692 279 HG21 ILE 37 HG21 ILE 37 1.157 5.568 1.386 280 HG22 ILE 37 HG22 ILE 37 1.633 7.250 1.156 281 HG23 ILE 37 HG23 ILE 37 1.194 6.670 2.761 282 HD11 ILE 37 HD11 ILE 37 3.668 7.720 4.047 283 HD12 ILE 37 HD12 ILE 37 3.687 6.630 5.433 284 HD13 ILE 37 HD13 ILE 37 2.155 7.068 4.675 285 H LEU 38 H LEU 38 1.376 3.924 0.356 286 HA LEU 38 HA LEU 38 0.893 2.016 2.420 287 HB2 LEU 38 HB2 LEU 38 -0.999 2.925 1.275 288 HB3 LEU 38 HB3 LEU 38 -0.349 2.472 -0.289 289 HG LEU 38 HG LEU 38 -0.901 0.278 1.639 290 HD11 LEU 38 HD11 LEU 38 -3.285 0.435 0.372 291 HD12 LEU 38 HD12 LEU 38 -2.934 2.144 0.633 292 HD13 LEU 38 HD13 LEU 38 -2.984 1.034 2.003 293 HD21 LEU 38 HD21 LEU 38 -0.013 -0.433 -0.403 294 HD22 LEU 38 HD22 LEU 38 -1.004 0.692 -1.330 295 HD23 LEU 38 HD23 LEU 38 -1.747 -0.712 -0.565 296 H LYS 39 H LYS 39 2.746 2.074 -0.439 297 HA LYS 39 HA LYS 39 2.740 -0.666 -1.096 298 HB2 LYS 39 HB2 LYS 39 3.597 1.431 -2.422 299 HB3 LYS 39 HB3 LYS 39 5.112 1.082 -1.602 300 HG2 LYS 39 HG2 LYS 39 4.075 -1.332 -2.719 301 HG3 LYS 39 HG3 LYS 39 4.094 -0.074 -3.955 302 HD2 LYS 39 HD2 LYS 39 6.478 -0.550 -2.199 303 HD3 LYS 39 HD3 LYS 39 6.201 -1.531 -3.640 304 HE2 LYS 39 HE2 LYS 39 6.841 0.116 -5.011 305 HE3 LYS 39 HE3 LYS 39 5.908 1.326 -4.132 306 HZ1 LYS 39 HZ1 LYS 39 8.171 1.922 -3.945 307 HZ2 LYS 39 HZ2 LYS 39 8.640 0.354 -3.518 308 HZ3 LYS 39 HZ3 LYS 39 7.732 1.287 -2.439 309 H ARG 40 H ARG 40 4.847 1.316 0.907 310 HA ARG 40 HA ARG 40 6.605 -0.834 1.562 311 HB2 ARG 40 HB2 ARG 40 6.341 1.995 2.255 312 HB3 ARG 40 HB3 ARG 40 6.928 1.009 3.587 313 HG2 ARG 40 HG2 ARG 40 8.916 0.649 2.618 314 HG3 ARG 40 HG3 ARG 40 8.216 0.475 1.008 315 HD2 ARG 40 HD2 ARG 40 8.016 3.191 2.021 316 HD3 ARG 40 HD3 ARG 40 9.679 2.625 1.942 317 HE ARG 40 HE ARG 40 9.424 2.297 -0.399 318 HH11 ARG 40 HH11 ARG 40 6.707 3.914 1.097 319 HH12 ARG 40 HH12 ARG 40 6.114 4.553 -0.397 320 HH21 ARG 40 HH21 ARG 40 8.635 3.138 -2.355 321 HH22 ARG 40 HH22 ARG 40 7.202 4.113 -2.353 322 H LEU 41 H LEU 41 3.510 0.059 2.674 323 HA LEU 41 HA LEU 41 3.821 -1.249 5.251 324 HB2 LEU 41 HB2 LEU 41 1.784 0.441 3.949 325 HB3 LEU 41 HB3 LEU 41 1.144 -0.810 4.997 326 HG LEU 41 HG LEU 41 2.764 0.107 6.771 327 HD11 LEU 41 HD11 LEU 41 2.803 2.756 6.128 328 HD12 LEU 41 HD12 LEU 41 3.163 1.996 4.578 329 HD13 LEU 41 HD13 LEU 41 4.171 1.654 5.984 330 HD21 LEU 41 HD21 LEU 41 1.124 1.617 7.568 331 HD22 LEU 41 HD22 LEU 41 0.255 0.368 6.677 332 HD23 LEU 41 HD23 LEU 41 0.533 1.945 5.940 333 H LEU 42 H LEU 42 2.805 -1.981 2.054 334 HA LEU 42 HA LEU 42 1.283 -4.312 2.798 335 HB2 LEU 42 HB2 LEU 42 1.486 -2.708 0.516 336 HB3 LEU 42 HB3 LEU 42 2.126 -4.267 0.033 337 HG LEU 42 HG LEU 42 -0.295 -4.006 -0.426 338 HD11 LEU 42 HD11 LEU 42 -0.955 -6.169 0.401 339 HD12 LEU 42 HD12 LEU 42 0.313 -6.125 1.627 340 HD13 LEU 42 HD13 LEU 42 0.741 -6.218 -0.082 341 HD21 LEU 42 HD21 LEU 42 -0.300 -3.185 2.351 342 HD22 LEU 42 HD22 LEU 42 -1.468 -4.470 2.043 343 HD23 LEU 42 HD23 LEU 42 -1.534 -2.976 1.109 344 H ILE 43 H ILE 43 4.574 -3.548 2.166 345 HA ILE 43 HA ILE 43 5.356 -6.224 1.458 346 HB ILE 43 HB ILE 43 7.138 -3.984 2.419 347 HG12 ILE 43 HG12 ILE 43 6.440 -4.764 -0.419 348 HG13 ILE 43 HG13 ILE 43 5.768 -3.375 0.424 349 HG21 ILE 43 HG21 ILE 43 7.838 -6.337 0.677 350 HG22 ILE 43 HG22 ILE 43 8.013 -6.355 2.433 351 HG23 ILE 43 HG23 ILE 43 8.934 -5.203 1.468 352 HD11 ILE 43 HD11 ILE 43 8.333 -3.702 -0.897 353 HD12 ILE 43 HD12 ILE 43 8.463 -3.005 0.718 354 HD13 ILE 43 HD13 ILE 43 7.440 -2.235 -0.495 355 H ASN 44 H ASN 44 4.878 -4.406 4.367 356 HA ASN 44 HA ASN 44 6.196 -6.459 5.981 357 HB2 ASN 44 HB2 ASN 44 4.946 -3.878 6.927 358 HB3 ASN 44 HB3 ASN 44 6.035 -4.925 7.830 359 HD21 ASN 44 HD21 ASN 44 6.982 -2.634 7.970 360 HD22 ASN 44 HD22 ASN 44 8.198 -2.261 6.801 361 H LYS 45 H LYS 45 3.119 -4.849 5.540 362 HA LYS 45 HA LYS 45 0.984 -5.382 6.086 363 HB2 LYS 45 HB2 LYS 45 2.260 -8.014 5.512 364 HB3 LYS 45 HB3 LYS 45 0.618 -7.988 6.142 365 HG2 LYS 45 HG2 LYS 45 -0.144 -6.689 4.283 366 HG3 LYS 45 HG3 LYS 45 1.506 -6.481 3.696 367 HD2 LYS 45 HD2 LYS 45 0.075 -9.126 3.934 368 HD3 LYS 45 HD3 LYS 45 0.243 -8.196 2.444 369 HE2 LYS 45 HE2 LYS 45 1.992 -9.677 2.250 370 HE3 LYS 45 HE3 LYS 45 2.788 -8.295 2.999 371 HZ1 LYS 45 HZ1 LYS 45 2.759 -10.880 3.927 372 HZ2 LYS 45 HZ2 LYS 45 1.707 -10.052 4.960 373 HZ3 LYS 45 HZ3 LYS 45 3.299 -9.513 4.765 374 H GLY 46 H GLY 46 0.845 -4.542 8.103 375 HA2 GLY 46 HA2 GLY 46 0.344 -4.571 10.339 376 HA3 GLY 46 HA3 GLY 46 0.232 -6.319 10.215 377 H GLN 47 H GLN 47 2.231 -3.616 11.042 378 HA GLN 47 HA GLN 47 3.950 -5.339 12.602 379 HB2 GLN 47 HB2 GLN 47 4.958 -5.191 10.267 380 HB3 GLN 47 HB3 GLN 47 5.236 -3.487 10.599 381 HG2 GLN 47 HG2 GLN 47 7.257 -4.610 11.058 382 HG3 GLN 47 HG3 GLN 47 6.546 -4.194 12.616 383 HE21 GLN 47 HE21 GLN 47 6.912 -6.814 10.287 384 HE22 GLN 47 HE22 GLN 47 6.829 -8.096 11.442 385 H LEU 48 H LEU 48 4.960 -4.264 14.300 386 HA LEU 48 HA LEU 48 3.758 -1.766 15.031 387 HB2 LEU 48 HB2 LEU 48 4.839 -3.901 16.413 388 HB3 LEU 48 HB3 LEU 48 6.009 -2.621 16.677 389 HG LEU 48 HG LEU 48 3.525 -1.415 17.115 390 HD11 LEU 48 HD11 LEU 48 3.639 -4.087 18.503 391 HD12 LEU 48 HD12 LEU 48 2.528 -3.661 17.201 392 HD13 LEU 48 HD13 LEU 48 2.436 -2.821 18.748 393 HD21 LEU 48 HD21 LEU 48 5.333 -2.527 19.244 394 HD22 LEU 48 HD22 LEU 48 4.324 -1.082 19.311 395 HD23 LEU 48 HD23 LEU 48 5.750 -1.115 18.274 396 H CYS 49 H CYS 49 4.540 -0.408 13.346 397 HA CYS 49 HA CYS 49 7.386 0.303 13.542 398 HB2 CYS 49 HB2 CYS 49 5.381 0.423 11.342 399 HB3 CYS 49 HB3 CYS 49 6.626 1.667 11.378 400 HG CYS 49 HG CYS 49 8.204 -0.711 11.519 401 H LEU 50 H LEU 50 7.777 2.721 13.096 402 HA LEU 50 HA LEU 50 5.831 4.282 14.668 403 HB2 LEU 50 HB2 LEU 50 8.633 5.226 14.491 404 HB3 LEU 50 HB3 LEU 50 7.497 5.326 15.821 405 HG LEU 50 HG LEU 50 9.231 3.908 16.558 406 HD11 LEU 50 HD11 LEU 50 7.605 1.625 15.826 407 HD12 LEU 50 HD12 LEU 50 6.625 2.993 16.355 408 HD13 LEU 50 HD13 LEU 50 7.887 2.353 17.407 409 HD21 LEU 50 HD21 LEU 50 9.681 3.399 13.910 410 HD22 LEU 50 HD22 LEU 50 9.063 1.852 14.488 411 HD23 LEU 50 HD23 LEU 50 10.475 2.581 15.256 412 H ARG 51 H ARG 51 6.417 6.786 14.263 413 HA ARG 51 HA ARG 51 5.683 7.254 11.554 414 HB2 ARG 51 HB2 ARG 51 5.750 9.641 12.163 415 HB3 ARG 51 HB3 ARG 51 4.822 8.685 13.310 416 HG2 ARG 51 HG2 ARG 51 6.578 8.761 14.915 417 HG3 ARG 51 HG3 ARG 51 7.689 9.478 13.747 418 HD2 ARG 51 HD2 ARG 51 6.951 11.532 14.191 419 HD3 ARG 51 HD3 ARG 51 5.271 11.040 13.990 420 HE ARG 51 HE ARG 51 6.682 11.386 16.453 421 HH11 ARG 51 HH11 ARG 51 4.090 9.634 14.908 422 HH12 ARG 51 HH12 ARG 51 3.231 9.354 16.385 423 HH21 ARG 51 HH21 ARG 51 5.551 11.027 18.396 424 HH22 ARG 51 HH22 ARG 51 4.059 10.146 18.366 425 H LYS 52 H LYS 52 8.615 7.677 13.408 426 HA LYS 52 HA LYS 52 10.106 9.007 11.404 427 HB2 LYS 52 HB2 LYS 52 12.094 8.281 12.762 428 HB3 LYS 52 HB3 LYS 52 10.872 9.174 13.656 429 HG2 LYS 52 HG2 LYS 52 10.133 6.505 13.925 430 HG3 LYS 52 HG3 LYS 52 11.890 6.509 14.082 431 HD2 LYS 52 HD2 LYS 52 11.069 8.695 15.582 432 HD3 LYS 52 HD3 LYS 52 9.857 7.459 15.924 433 HE2 LYS 52 HE2 LYS 52 12.185 6.032 16.053 434 HE3 LYS 52 HE3 LYS 52 12.681 7.599 16.690 435 HZ1 LYS 52 HZ1 LYS 52 11.637 7.181 18.585 436 HZ2 LYS 52 HZ2 LYS 52 11.359 5.602 18.047 437 HZ3 LYS 52 HZ3 LYS 52 10.190 6.798 17.796 438 H HIS 53 H HIS 53 9.027 5.854 11.595 439 HA HIS 53 HA HIS 53 11.215 4.704 10.090 440 HB2 HIS 53 HB2 HIS 53 9.798 3.581 11.936 441 HB3 HIS 53 HB3 HIS 53 8.592 3.399 10.672 442 HD1 HIS 53 HD1 HIS 53 11.816 2.023 11.879 443 HD2 HIS 53 HD2 HIS 53 9.303 1.580 8.599 444 HE1 HIS 53 HE1 HIS 53 12.597 -0.063 10.712 445 HE2 HIS 53 HE2 HIS 53 11.008 -0.357 8.780 446 H LEU 54 H LEU 54 7.823 5.487 9.703 447 HA LEU 54 HA LEU 54 7.598 4.610 7.026 448 HB2 LEU 54 HB2 LEU 54 5.922 5.934 8.981 449 HB3 LEU 54 HB3 LEU 54 5.697 6.626 7.385 450 HG LEU 54 HG LEU 54 4.068 4.893 7.728 451 HD11 LEU 54 HD11 LEU 54 5.422 3.196 5.962 452 HD12 LEU 54 HD12 LEU 54 6.044 4.815 5.646 453 HD13 LEU 54 HD13 LEU 54 4.310 4.504 5.560 454 HD21 LEU 54 HD21 LEU 54 4.473 3.057 8.906 455 HD22 LEU 54 HD22 LEU 54 6.125 3.623 9.154 456 HD23 LEU 54 HD23 LEU 54 5.749 2.570 7.791 457 H LEU 55 H LEU 55 8.781 7.514 8.478 458 HA LEU 55 HA LEU 55 8.720 8.945 5.944 459 HB2 LEU 55 HB2 LEU 55 9.910 10.736 7.278 460 HB3 LEU 55 HB3 LEU 55 8.276 10.349 7.776 461 HG LEU 55 HG LEU 55 9.611 8.723 9.437 462 HD11 LEU 55 HD11 LEU 55 11.786 9.077 9.418 463 HD12 LEU 55 HD12 LEU 55 11.459 10.665 10.115 464 HD13 LEU 55 HD13 LEU 55 11.620 10.485 8.368 465 HD21 LEU 55 HD21 LEU 55 8.646 10.015 10.960 466 HD22 LEU 55 HD22 LEU 55 8.145 11.057 9.630 467 HD23 LEU 55 HD23 LEU 55 9.632 11.407 10.512 468 H GLU 56 H GLU 56 10.733 6.772 7.555 469 HA GLU 56 HA GLU 56 13.173 7.755 6.332 470 HB2 GLU 56 HB2 GLU 56 12.528 6.052 8.563 471 HB3 GLU 56 HB3 GLU 56 13.650 5.235 7.484 472 HG2 GLU 56 HG2 GLU 56 14.251 8.045 8.190 473 HG3 GLU 56 HG3 GLU 56 14.447 6.828 9.451 474 H GLU 57 H GLU 57 10.742 5.342 5.837 475 HA GLU 57 HA GLU 57 12.355 3.959 3.842 476 HB2 GLU 57 HB2 GLU 57 9.503 3.439 4.716 477 HB3 GLU 57 HB3 GLU 57 10.467 2.403 3.672 478 HG2 GLU 57 HG2 GLU 57 12.079 2.147 5.569 479 HG3 GLU 57 HG3 GLU 57 10.907 2.985 6.585 480 H ILE 58 H ILE 58 10.136 6.529 3.970 481 HA ILE 58 HA ILE 58 9.491 6.219 1.135 482 HB ILE 58 HB ILE 58 8.429 8.324 3.022 483 HG12 ILE 58 HG12 ILE 58 6.975 5.850 2.087 484 HG13 ILE 58 HG13 ILE 58 7.855 5.901 3.609 485 HG21 ILE 58 HG21 ILE 58 6.911 7.494 0.642 486 HG22 ILE 58 HG22 ILE 58 8.425 8.337 0.314 487 HG23 ILE 58 HG23 ILE 58 7.189 9.103 1.310 488 HD11 ILE 58 HD11 ILE 58 6.381 8.027 4.021 489 HD12 ILE 58 HD12 ILE 58 5.741 6.411 4.309 490 HD13 ILE 58 HD13 ILE 58 5.337 7.268 2.822 491 H LYS 59 H LYS 59 11.528 7.911 3.316 492 HA LYS 59 HA LYS 59 12.095 10.107 1.540 493 HB2 LYS 59 HB2 LYS 59 13.740 10.789 3.135 494 HB3 LYS 59 HB3 LYS 59 12.331 10.254 4.038 495 HG2 LYS 59 HG2 LYS 59 13.440 8.101 4.458 496 HG3 LYS 59 HG3 LYS 59 14.860 8.682 3.588 497 HD2 LYS 59 HD2 LYS 59 13.716 10.137 5.959 498 HD3 LYS 59 HD3 LYS 59 14.923 8.860 6.125 499 HE2 LYS 59 HE2 LYS 59 16.584 10.199 5.453 500 HE3 LYS 59 HE3 LYS 59 15.635 10.846 4.116 501 HZ1 LYS 59 HZ1 LYS 59 16.349 12.213 6.340 502 HZ2 LYS 59 HZ2 LYS 59 14.756 11.770 6.692 503 HZ3 LYS 59 HZ3 LYS 59 15.097 12.648 5.288 504 H ASN 60 H ASN 60 13.256 6.871 2.102 505 HA ASN 60 HA ASN 60 15.606 7.301 0.457 506 HB2 ASN 60 HB2 ASN 60 15.041 5.572 2.567 507 HB3 ASN 60 HB3 ASN 60 15.052 4.531 1.147 508 HD21 ASN 60 HD21 ASN 60 16.912 4.637 3.367 509 HD22 ASN 60 HD22 ASN 60 18.466 4.961 2.686 510 H HIS 61 H HIS 61 13.094 7.722 -0.763 511 HA HIS 61 HA HIS 61 13.368 6.156 -3.099 512 HB2 HIS 61 HB2 HIS 61 12.123 4.643 -1.389 513 HB3 HIS 61 HB3 HIS 61 10.746 5.693 -1.702 514 HD1 HIS 61 HD1 HIS 61 9.846 5.709 -4.209 515 HD2 HIS 61 HD2 HIS 61 12.598 2.730 -3.299 516 HE1 HIS 61 HE1 HIS 61 9.663 4.031 -6.075 517 HE2 HIS 61 HE2 HIS 61 11.344 2.242 -5.509 518 H ALA 62 H ALA 62 11.265 8.203 -1.140 519 HA ALA 62 HA ALA 62 10.990 10.104 -3.279 520 HB1 ALA 62 HB1 ALA 62 9.031 9.483 -4.109 521 HB2 ALA 62 HB2 ALA 62 8.297 9.619 -2.511 522 HB3 ALA 62 HB3 ALA 62 9.007 8.090 -3.029 523 H LYS 63 H LYS 63 12.053 11.328 -1.612 524 HA LYS 63 HA LYS 63 11.006 11.772 0.951 525 HB2 LYS 63 HB2 LYS 63 13.284 12.496 -0.285 526 HB3 LYS 63 HB3 LYS 63 12.412 14.018 -0.384 527 HG2 LYS 63 HG2 LYS 63 12.242 12.857 2.262 528 HG3 LYS 63 HG3 LYS 63 13.913 13.106 1.752 529 HD2 LYS 63 HD2 LYS 63 11.926 15.289 1.325 530 HD3 LYS 63 HD3 LYS 63 12.570 15.023 2.946 531 HE2 LYS 63 HE2 LYS 63 14.055 16.567 2.084 532 HE3 LYS 63 HE3 LYS 63 14.875 15.043 1.746 533 HZ1 LYS 63 HZ1 LYS 63 14.462 16.930 -0.080 534 HZ2 LYS 63 HZ2 LYS 63 13.075 15.993 -0.323 535 HZ3 LYS 63 HZ3 LYS 63 14.606 15.287 -0.459 536 H ALA 64 H ALA 64 8.733 11.996 0.612 537 HA ALA 64 HA ALA 64 6.778 13.128 0.326 538 HB1 ALA 64 HB1 ALA 64 7.261 15.762 0.655 539 HB2 ALA 64 HB2 ALA 64 8.729 15.077 1.352 540 HB3 ALA 64 HB3 ALA 64 7.151 14.606 1.983 541 H ILE 65 H ILE 65 6.891 12.486 -1.989 542 HA ILE 65 HA ILE 65 7.842 14.172 -4.015 543 HB ILE 65 HB ILE 65 5.461 12.321 -4.163 544 HG12 ILE 65 HG12 ILE 65 8.340 11.743 -4.873 545 HG13 ILE 65 HG13 ILE 65 7.576 11.243 -3.367 546 HG21 ILE 65 HG21 ILE 65 7.060 13.786 -6.208 547 HG22 ILE 65 HG22 ILE 65 5.316 13.543 -6.104 548 HG23 ILE 65 HG23 ILE 65 6.362 12.217 -6.612 549 HD11 ILE 65 HD11 ILE 65 6.655 9.474 -4.332 550 HD12 ILE 65 HD12 ILE 65 7.672 9.817 -5.731 551 HD13 ILE 65 HD13 ILE 65 6.023 10.439 -5.666 552 H VAL 66 H VAL 66 7.311 16.308 -3.633 553 HA VAL 66 HA VAL 66 6.078 18.221 -3.666 554 HB VAL 66 HB VAL 66 4.308 16.447 -5.340 555 HG11 VAL 66 HG11 VAL 66 3.808 19.120 -4.319 556 HG12 VAL 66 HG12 VAL 66 2.719 18.005 -5.144 557 HG13 VAL 66 HG13 VAL 66 3.778 19.059 -6.081 558 HG21 VAL 66 HG21 VAL 66 5.940 18.709 -6.387 559 HG22 VAL 66 HG22 VAL 66 5.437 17.219 -7.184 560 HG23 VAL 66 HG23 VAL 66 6.734 17.186 -5.989 561 H ALA 67 H ALA 67 5.791 17.839 -1.317 562 HA ALA 67 HA ALA 67 3.054 18.152 -0.583 563 HB1 ALA 67 HB1 ALA 67 2.465 16.113 0.075 564 HB2 ALA 67 HB2 ALA 67 3.940 15.929 1.023 565 HB3 ALA 67 HB3 ALA 67 3.933 15.506 -0.689 566 H ARG 68 H ARG 68 3.109 17.657 2.088 567 HA ARG 68 HA ARG 68 5.151 19.541 3.010 568 HB2 ARG 68 HB2 ARG 68 2.517 18.702 4.214 569 HB3 ARG 68 HB3 ARG 68 3.663 19.761 5.023 570 HG2 ARG 68 HG2 ARG 68 3.471 21.318 3.076 571 HG3 ARG 68 HG3 ARG 68 2.166 20.297 2.470 572 HD2 ARG 68 HD2 ARG 68 1.343 20.688 5.011 573 HD3 ARG 68 HD3 ARG 68 2.206 22.195 4.726 574 HE ARG 68 HE ARG 68 0.718 22.637 2.892 575 HH11 ARG 68 HH11 ARG 68 -0.244 19.976 4.954 576 HH12 ARG 68 HH12 ARG 68 -1.903 20.050 4.473 577 HH21 ARG 68 HH21 ARG 68 -1.461 22.721 2.267 578 HH22 ARG 68 HH22 ARG 68 -2.594 21.602 2.949 579 H ASN 69 H ASN 69 3.576 16.557 3.989 580 HA ASN 69 HA ASN 69 6.039 15.445 4.966 581 HB2 ASN 69 HB2 ASN 69 5.231 15.099 7.289 582 HB3 ASN 69 HB3 ASN 69 5.449 16.801 6.900 583 HD21 ASN 69 HD21 ASN 69 3.973 17.894 7.970 584 HD22 ASN 69 HD22 ASN 69 2.287 17.521 8.043 585 H VAL 70 H VAL 70 5.067 13.369 6.506 586 HA VAL 70 HA VAL 70 3.614 11.857 4.488 587 HB VAL 70 HB VAL 70 4.142 10.236 6.784 588 HG11 VAL 70 HG11 VAL 70 4.960 8.778 5.237 589 HG12 VAL 70 HG12 VAL 70 5.760 10.042 4.302 590 HG13 VAL 70 HG13 VAL 70 4.013 9.831 4.184 591 HG21 VAL 70 HG21 VAL 70 6.482 11.884 5.850 592 HG22 VAL 70 HG22 VAL 70 6.654 10.331 6.670 593 HG23 VAL 70 HG23 VAL 70 5.879 11.684 7.496 594 H ASP 71 H ASP 71 3.178 13.135 7.681 595 HA ASP 71 HA ASP 71 0.997 11.686 8.569 596 HB2 ASP 71 HB2 ASP 71 2.387 13.819 9.529 597 HB3 ASP 71 HB3 ASP 71 0.853 14.578 9.110 598 H VAL 72 H VAL 72 0.731 14.900 7.146 599 HA VAL 72 HA VAL 72 -2.004 14.763 6.602 600 HB VAL 72 HB VAL 72 0.003 16.345 4.995 601 HG11 VAL 72 HG11 VAL 72 -1.737 17.329 4.016 602 HG12 VAL 72 HG12 VAL 72 -2.531 17.615 5.564 603 HG13 VAL 72 HG13 VAL 72 -2.754 16.077 4.729 604 HG21 VAL 72 HG21 VAL 72 -0.577 18.178 6.660 605 HG22 VAL 72 HG22 VAL 72 0.492 16.897 7.229 606 HG23 VAL 72 HG23 VAL 72 -1.210 16.894 7.689 607 H HIS 73 H HIS 73 0.685 13.372 4.990 608 HA HIS 73 HA HIS 73 -0.571 12.995 2.452 609 HB2 HIS 73 HB2 HIS 73 2.020 12.615 3.559 610 HB3 HIS 73 HB3 HIS 73 1.502 11.077 2.879 611 HD1 HIS 73 HD1 HIS 73 2.698 10.937 0.714 612 HD2 HIS 73 HD2 HIS 73 0.980 14.673 1.306 613 HE1 HIS 73 HE1 HIS 73 3.071 12.194 -1.430 614 HE2 HIS 73 HE2 HIS 73 1.915 14.407 -1.091 615 H ILE 74 H ILE 74 -0.316 11.204 5.425 616 HA ILE 74 HA ILE 74 -1.243 8.722 4.403 617 HB ILE 74 HB ILE 74 -1.324 9.785 7.231 618 HG12 ILE 74 HG12 ILE 74 0.544 7.626 6.532 619 HG13 ILE 74 HG13 ILE 74 0.877 9.152 5.722 620 HG21 ILE 74 HG21 ILE 74 -2.766 8.071 7.505 621 HG22 ILE 74 HG22 ILE 74 -1.288 7.110 7.521 622 HG23 ILE 74 HG23 ILE 74 -2.234 7.248 6.039 623 HD11 ILE 74 HD11 ILE 74 1.416 8.370 8.419 624 HD12 ILE 74 HD12 ILE 74 0.381 9.798 8.399 625 HD13 ILE 74 HD13 ILE 74 1.927 9.817 7.549 626 H ALA 75 H ALA 75 -2.800 11.579 5.635 627 HA ALA 75 HA ALA 75 -5.389 10.451 5.915 628 HB1 ALA 75 HB1 ALA 75 -4.806 12.455 7.132 629 HB2 ALA 75 HB2 ALA 75 -6.159 12.795 6.052 630 HB3 ALA 75 HB3 ALA 75 -4.532 13.323 5.621 631 H SER 76 H SER 76 -3.607 11.832 3.295 632 HA SER 76 HA SER 76 -5.800 12.307 1.562 633 HB2 SER 76 HB2 SER 76 -3.379 13.207 1.388 634 HB3 SER 76 HB3 SER 76 -3.021 11.670 0.601 635 HG SER 76 HG SER 76 -5.061 13.457 -0.232 636 H LEU 77 H LEU 77 -3.935 9.518 2.400 637 HA LEU 77 HA LEU 77 -4.547 7.907 0.176 638 HB2 LEU 77 HB2 LEU 77 -3.547 7.457 2.922 639 HB3 LEU 77 HB3 LEU 77 -4.272 6.075 2.120 640 HG LEU 77 HG LEU 77 -2.597 6.996 0.176 641 HD11 LEU 77 HD11 LEU 77 -1.791 8.430 2.370 642 HD12 LEU 77 HD12 LEU 77 -0.811 8.082 0.948 643 HD13 LEU 77 HD13 LEU 77 -0.690 7.053 2.374 644 HD21 LEU 77 HD21 LEU 77 -2.976 4.702 1.498 645 HD22 LEU 77 HD22 LEU 77 -1.400 5.154 2.149 646 HD23 LEU 77 HD23 LEU 77 -1.616 4.973 0.408 647 H ARG 78 H ARG 78 -6.236 8.614 3.140 648 HA ARG 78 HA ARG 78 -8.189 6.615 2.991 649 HB2 ARG 78 HB2 ARG 78 -7.970 9.278 4.329 650 HB3 ARG 78 HB3 ARG 78 -9.512 8.444 4.325 651 HG2 ARG 78 HG2 ARG 78 -8.276 6.450 5.285 652 HG3 ARG 78 HG3 ARG 78 -6.926 7.556 5.548 653 HD2 ARG 78 HD2 ARG 78 -9.709 7.789 6.675 654 HD3 ARG 78 HD3 ARG 78 -8.239 7.396 7.564 655 HE ARG 78 HE ARG 78 -7.716 9.822 6.436 656 HH11 ARG 78 HH11 ARG 78 -10.239 8.576 8.500 657 HH12 ARG 78 HH12 ARG 78 -10.524 10.095 9.281 658 HH21 ARG 78 HH21 ARG 78 -8.092 11.824 7.460 659 HH22 ARG 78 HH22 ARG 78 -9.306 11.940 8.689 660 H LYS 79 H LYS 79 -7.707 9.493 1.196 661 HA LYS 79 HA LYS 79 -10.461 9.625 0.292 662 HB2 LYS 79 HB2 LYS 79 -8.346 11.487 0.518 663 HB3 LYS 79 HB3 LYS 79 -8.734 11.357 -1.191 664 HG2 LYS 79 HG2 LYS 79 -11.213 11.538 -0.074 665 HG3 LYS 79 HG3 LYS 79 -10.251 12.557 0.999 666 HD2 LYS 79 HD2 LYS 79 -10.634 14.155 -0.535 667 HD3 LYS 79 HD3 LYS 79 -9.352 13.350 -1.444 668 HE2 LYS 79 HE2 LYS 79 -10.804 12.419 -2.931 669 HE3 LYS 79 HE3 LYS 79 -12.106 12.295 -1.749 670 HZ1 LYS 79 HZ1 LYS 79 -11.372 14.533 -3.480 671 HZ2 LYS 79 HZ2 LYS 79 -11.994 14.903 -1.951 672 HZ3 LYS 79 HZ3 LYS 79 -12.903 13.971 -3.030 673 H LYS 80 H LYS 80 -7.284 9.255 -1.174 674 HA LYS 80 HA LYS 80 -8.348 8.475 -3.699 675 HB2 LYS 80 HB2 LYS 80 -5.590 8.641 -2.551 676 HB3 LYS 80 HB3 LYS 80 -5.860 7.847 -4.096 677 HG2 LYS 80 HG2 LYS 80 -6.671 10.679 -3.480 678 HG3 LYS 80 HG3 LYS 80 -5.172 10.218 -4.288 679 HD2 LYS 80 HD2 LYS 80 -6.468 9.161 -6.078 680 HD3 LYS 80 HD3 LYS 80 -7.964 9.626 -5.269 681 HE2 LYS 80 HE2 LYS 80 -6.197 11.890 -5.634 682 HE3 LYS 80 HE3 LYS 80 -6.561 11.097 -7.166 683 HZ1 LYS 80 HZ1 LYS 80 -8.516 12.164 -5.205 684 HZ2 LYS 80 HZ2 LYS 80 -8.942 11.248 -6.562 685 HZ3 LYS 80 HZ3 LYS 80 -8.203 12.757 -6.759 686 H LEU 81 H LEU 81 -6.573 6.795 -1.173 687 HA LEU 81 HA LEU 81 -6.859 4.230 -2.403 688 HB2 LEU 81 HB2 LEU 81 -5.231 5.279 -0.455 689 HB3 LEU 81 HB3 LEU 81 -6.313 4.269 0.479 690 HG LEU 81 HG LEU 81 -4.782 2.673 0.066 691 HD11 LEU 81 HD11 LEU 81 -5.370 1.228 -1.641 692 HD12 LEU 81 HD12 LEU 81 -5.745 2.538 -2.761 693 HD13 LEU 81 HD13 LEU 81 -6.837 2.182 -1.422 694 HD21 LEU 81 HD21 LEU 81 -2.963 3.696 -0.772 695 HD22 LEU 81 HD22 LEU 81 -3.881 4.570 -1.998 696 HD23 LEU 81 HD23 LEU 81 -3.457 2.878 -2.254 697 H GLY 82 H GLY 82 -7.979 5.273 0.820 698 HA2 GLY 82 HA2 GLY 82 -10.375 5.215 1.334 699 HA3 GLY 82 HA3 GLY 82 -10.484 3.791 0.310 700 H ALA 83 H ALA 83 -11.012 2.142 1.588 701 HA ALA 83 HA ALA 83 -10.300 1.959 4.328 702 HB1 ALA 83 HB1 ALA 83 -12.223 0.824 2.873 703 HB2 ALA 83 HB2 ALA 83 -11.659 0.145 4.400 704 HB3 ALA 83 HB3 ALA 83 -11.062 -0.504 2.872 705 H TYR 84 H TYR 84 -8.534 1.311 1.517 706 HA TYR 84 HA TYR 84 -6.870 -0.746 2.718 707 HB2 TYR 84 HB2 TYR 84 -6.487 0.630 0.056 708 HB3 TYR 84 HB3 TYR 84 -5.786 -0.896 0.581 709 HD1 TYR 84 HD1 TYR 84 -7.703 -2.654 1.381 710 HD2 TYR 84 HD2 TYR 84 -8.212 0.475 -1.457 711 HE1 TYR 84 HE1 TYR 84 -9.599 -3.868 0.392 712 HE2 TYR 84 HE2 TYR 84 -10.110 -0.729 -2.453 713 HH TYR 84 HH TYR 84 -10.839 -3.989 -1.662 714 H GLY 85 H GLY 85 -6.530 2.572 1.471 715 HA2 GLY 85 HA2 GLY 85 -3.832 2.912 2.247 716 HA3 GLY 85 HA3 GLY 85 -4.975 4.207 1.928 717 H SER 86 H SER 86 -6.825 3.120 3.984 718 HA SER 86 HA SER 86 -5.925 4.669 6.166 719 HB2 SER 86 HB2 SER 86 -8.327 4.216 5.618 720 HB3 SER 86 HB3 SER 86 -8.099 2.563 6.186 721 HG SER 86 HG SER 86 -7.397 3.568 8.215 722 H ARG 87 H ARG 87 -5.055 1.570 5.165 723 HA ARG 87 HA ARG 87 -4.833 0.010 7.395 724 HB2 ARG 87 HB2 ARG 87 -4.056 -0.529 5.041 725 HB3 ARG 87 HB3 ARG 87 -2.575 0.340 5.418 726 HG2 ARG 87 HG2 ARG 87 -1.904 -1.241 6.996 727 HG3 ARG 87 HG3 ARG 87 -3.525 -1.923 7.135 728 HD2 ARG 87 HD2 ARG 87 -1.562 -2.219 4.880 729 HD3 ARG 87 HD3 ARG 87 -2.267 -3.480 5.885 730 HE ARG 87 HE ARG 87 -4.327 -3.205 4.720 731 HH11 ARG 87 HH11 ARG 87 -1.671 -1.395 3.335 732 HH12 ARG 87 HH12 ARG 87 -2.439 -1.222 1.795 733 HH21 ARG 87 HH21 ARG 87 -5.327 -2.962 2.696 734 HH22 ARG 87 HH22 ARG 87 -4.508 -2.108 1.432 735 H ILE 88 H ILE 88 -2.951 2.840 6.561 736 HA ILE 88 HA ILE 88 -0.909 2.542 8.500 737 HB ILE 88 HB ILE 88 -1.976 5.186 7.519 738 HG12 ILE 88 HG12 ILE 88 0.317 4.132 6.059 739 HG13 ILE 88 HG13 ILE 88 -1.111 3.119 5.868 740 HG21 ILE 88 HG21 ILE 88 -0.338 5.253 9.343 741 HG22 ILE 88 HG22 ILE 88 0.308 5.948 7.855 742 HG23 ILE 88 HG23 ILE 88 0.791 4.327 8.354 743 HD11 ILE 88 HD11 ILE 88 -0.679 5.953 5.054 744 HD12 ILE 88 HD12 ILE 88 -2.311 5.356 5.354 745 HD13 ILE 88 HD13 ILE 88 -1.308 4.596 4.119 746 H VAL 89 H VAL 89 -2.049 1.830 10.387 747 HA VAL 89 HA VAL 89 -3.924 3.654 11.634 748 HB VAL 89 HB VAL 89 -2.785 1.081 12.730 749 HG11 VAL 89 HG11 VAL 89 -5.109 2.812 13.542 750 HG12 VAL 89 HG12 VAL 89 -3.706 2.348 14.506 751 HG13 VAL 89 HG13 VAL 89 -4.919 1.142 14.076 752 HG21 VAL 89 HG21 VAL 89 -5.540 1.070 11.749 753 HG22 VAL 89 HG22 VAL 89 -4.249 -0.110 11.523 754 HG23 VAL 89 HG23 VAL 89 -4.334 1.313 10.485 755 H THR 90 H THR 90 -3.523 5.036 13.230 756 HA THR 90 HA THR 90 -0.780 5.180 14.276 757 HB THR 90 HB THR 90 -2.916 7.318 14.359 758 HG1 THR 90 HG1 THR 90 -2.262 6.752 12.203 759 HG21 THR 90 HG21 THR 90 -0.228 7.160 15.411 760 HG22 THR 90 HG22 THR 90 -1.490 8.358 15.697 761 HG23 THR 90 HG23 THR 90 -0.429 8.510 14.296 762 H LEU 91 H LEU 91 -1.110 3.553 15.855 763 HA LEU 91 HA LEU 91 -3.210 3.676 17.764 764 HB2 LEU 91 HB2 LEU 91 -0.798 2.059 17.317 765 HB3 LEU 91 HB3 LEU 91 -1.266 2.212 19.000 766 HG LEU 91 HG LEU 91 -3.475 1.528 17.183 767 HD11 LEU 91 HD11 LEU 91 -1.500 -0.641 17.787 768 HD12 LEU 91 HD12 LEU 91 -1.401 0.298 16.298 769 HD13 LEU 91 HD13 LEU 91 -2.847 -0.647 16.650 770 HD21 LEU 91 HD21 LEU 91 -2.911 -0.260 19.388 771 HD22 LEU 91 HD22 LEU 91 -4.332 0.735 19.077 772 HD23 LEU 91 HD23 LEU 91 -2.936 1.426 19.903 773 H ARG 92 H ARG 92 -3.444 5.056 19.374 774 HA ARG 92 HA ARG 92 -1.425 6.903 20.131 775 HB2 ARG 92 HB2 ARG 92 -4.142 6.218 21.225 776 HB3 ARG 92 HB3 ARG 92 -3.096 7.366 22.050 777 HG2 ARG 92 HG2 ARG 92 -3.145 8.869 20.234 778 HG3 ARG 92 HG3 ARG 92 -3.849 7.661 19.158 779 HD2 ARG 92 HD2 ARG 92 -5.579 9.183 19.796 780 HD3 ARG 92 HD3 ARG 92 -5.873 7.648 20.611 781 HE ARG 92 HE ARG 92 -4.376 9.271 22.322 782 HH11 ARG 92 HH11 ARG 92 -7.558 9.168 20.895 783 HH12 ARG 92 HH12 ARG 92 -8.310 10.016 22.204 784 HH21 ARG 92 HH21 ARG 92 -5.361 10.391 24.044 785 HH22 ARG 92 HH22 ARG 92 -7.063 10.711 23.992 786 H GLY 93 H GLY 93 0.214 5.199 20.561 787 HA2 GLY 93 HA2 GLY 93 1.176 5.031 23.014 788 HA3 GLY 93 HA3 GLY 93 -0.083 3.808 23.111 789 H VAL 94 H VAL 94 0.330 3.137 20.234 790 HA VAL 94 HA VAL 94 2.616 1.355 20.643 791 HB VAL 94 HB VAL 94 0.683 1.238 18.336 792 HG11 VAL 94 HG11 VAL 94 1.466 -0.931 18.002 793 HG12 VAL 94 HG12 VAL 94 2.150 -1.034 19.625 794 HG13 VAL 94 HG13 VAL 94 2.919 -0.016 18.407 795 HG21 VAL 94 HG21 VAL 94 -0.285 1.104 20.808 796 HG22 VAL 94 HG22 VAL 94 0.297 -0.554 20.668 797 HG23 VAL 94 HG23 VAL 94 -0.876 0.070 19.509 798 H GLY 95 H GLY 95 1.224 3.343 18.030 799 HA2 GLY 95 HA2 GLY 95 3.058 5.010 17.251 800 HA3 GLY 95 HA3 GLY 95 3.893 3.524 16.824 801 H TYR 96 H TYR 96 3.594 2.750 14.856 802 HA TYR 96 HA TYR 96 1.219 3.612 13.346 803 HB2 TYR 96 HB2 TYR 96 4.085 3.881 12.705 804 HB3 TYR 96 HB3 TYR 96 3.100 3.248 11.395 805 HD1 TYR 96 HD1 TYR 96 3.627 6.131 13.633 806 HD2 TYR 96 HD2 TYR 96 1.549 4.650 10.228 807 HE1 TYR 96 HE1 TYR 96 2.907 8.417 13.084 808 HE2 TYR 96 HE2 TYR 96 0.825 6.934 9.671 809 HH TYR 96 HH TYR 96 2.135 9.559 10.597 810 H LEU 97 H LEU 97 0.004 1.828 13.160 811 HA LEU 97 HA LEU 97 1.346 -0.719 12.542 812 HB2 LEU 97 HB2 LEU 97 0.026 -0.824 14.558 813 HB3 LEU 97 HB3 LEU 97 -1.365 -0.143 13.736 814 HG LEU 97 HG LEU 97 -0.240 -2.724 12.740 815 HD11 LEU 97 HD11 LEU 97 -1.371 -2.292 15.398 816 HD12 LEU 97 HD12 LEU 97 -0.470 -3.665 14.753 817 HD13 LEU 97 HD13 LEU 97 -2.204 -3.532 14.459 818 HD21 LEU 97 HD21 LEU 97 -3.131 -2.257 13.050 819 HD22 LEU 97 HD22 LEU 97 -2.226 -2.937 11.699 820 HD23 LEU 97 HD23 LEU 97 -2.303 -1.190 11.918 821 H PHE 98 H PHE 98 0.413 -2.107 10.952 822 HA PHE 98 HA PHE 98 -1.183 -0.665 8.937 823 HB2 PHE 98 HB2 PHE 98 0.435 -2.983 8.058 824 HB3 PHE 98 HB3 PHE 98 0.111 -1.467 7.237 825 HD1 PHE 98 HD1 PHE 98 1.092 0.480 9.219 826 HD2 PHE 98 HD2 PHE 98 2.741 -3.228 7.938 827 HE1 PHE 98 HE1 PHE 98 3.341 1.281 9.810 828 HE2 PHE 98 HE2 PHE 98 4.995 -2.433 8.527 829 HZ PHE 98 HZ PHE 98 5.295 -0.176 9.464 830 H SER 99 H SER 99 -3.142 -1.359 9.717 831 HA SER 99 HA SER 99 -4.003 -3.704 10.690 832 HB2 SER 99 HB2 SER 99 -5.322 -1.719 8.895 833 HB3 SER 99 HB3 SER 99 -6.173 -3.216 9.274 834 HG SER 99 HG SER 99 -6.635 -1.533 10.769 835 H ASP 100 H ASP 100 -5.308 -5.447 9.765 836 HA ASP 100 HA ASP 100 -3.875 -6.739 7.600 837 HB2 ASP 100 HB2 ASP 100 -5.401 -7.546 9.893 838 HB3 ASP 100 HB3 ASP 100 -6.041 -8.331 8.456 839 H ASP 101 H ASP 101 -6.724 -4.964 8.022 840 HA ASP 101 HA ASP 101 -8.568 -6.007 6.277 841 HB2 ASP 101 HB2 ASP 101 -8.139 -3.524 7.626 842 HB3 ASP 101 HB3 ASP 101 -8.694 -3.189 5.990 843 H GLY 102 H GLY 102 -6.445 -6.680 4.778 844 HA2 GLY 102 HA2 GLY 102 -6.839 -6.315 2.244 845 HA3 GLY 102 HA3 GLY 102 -6.232 -4.709 2.615 846 H ASP 103 H ASP 103 -5.350 -8.124 3.101 847 HA ASP 103 HA ASP 103 -2.566 -7.518 3.235 848 HB2 ASP 103 HB2 ASP 103 -2.433 -10.092 3.146 849 HB3 ASP 103 HB3 ASP 103 -3.164 -9.347 4.556 850 H LYS 104 H LYS 104 -1.207 -9.290 1.837 851 HA LYS 104 HA LYS 104 -1.273 -8.305 -0.805 852 HB2 LYS 104 HB2 LYS 104 0.666 -9.629 -1.133 853 HB3 LYS 104 HB3 LYS 104 0.750 -9.022 0.506 854 HG2 LYS 104 HG2 LYS 104 -0.105 -11.190 1.316 855 HG3 LYS 104 HG3 LYS 104 -0.067 -11.791 -0.342 856 HD2 LYS 104 HD2 LYS 104 2.465 -10.687 0.112 857 HD3 LYS 104 HD3 LYS 104 2.070 -11.581 1.581 858 HE2 LYS 104 HE2 LYS 104 3.260 -12.897 -0.203 859 HE3 LYS 104 HE3 LYS 104 1.749 -13.595 0.377 860 HZ1 LYS 104 HZ1 LYS 104 1.603 -11.836 -1.948 861 HZ2 LYS 104 HZ2 LYS 104 0.717 -13.232 -1.592 862 HZ3 LYS 104 HZ3 LYS 104 2.297 -13.362 -2.181 863 H LYS 105 H LYS 105 -0.579 -10.651 -2.267 864 HA LYS 105 HA LYS 105 -2.977 -12.290 -2.191 865 HB2 LYS 105 HB2 LYS 105 -3.327 -10.397 -3.799 866 HB3 LYS 105 HB3 LYS 105 -1.977 -11.019 -4.738 867 HG2 LYS 105 HG2 LYS 105 -3.968 -11.785 -5.768 868 HG3 LYS 105 HG3 LYS 105 -3.237 -13.172 -4.957 869 HD2 LYS 105 HD2 LYS 105 -4.765 -12.773 -3.033 870 HD3 LYS 105 HD3 LYS 105 -5.553 -11.506 -3.976 871 HE2 LYS 105 HE2 LYS 105 -6.066 -13.194 -5.719 872 HE3 LYS 105 HE3 LYS 105 -5.385 -14.436 -4.669 873 HZ1 LYS 105 HZ1 LYS 105 -7.434 -12.746 -3.486 874 HZ2 LYS 105 HZ2 LYS 105 -7.179 -14.411 -3.329 875 HZ3 LYS 105 HZ3 LYS 105 -7.961 -13.802 -4.699 876 H PHE 106 H PHE 106 -1.993 -14.177 -1.702 877 HA PHE 106 HA PHE 106 0.533 -14.975 -2.666 878 HB2 PHE 106 HB2 PHE 106 -1.148 -15.870 -0.708 879 HB3 PHE 106 HB3 PHE 106 -1.322 -17.138 -1.918 880 HD1 PHE 106 HD1 PHE 106 1.660 -15.112 -1.007 881 HD2 PHE 106 HD2 PHE 106 -0.165 -18.955 -1.072 882 HE1 PHE 106 HE1 PHE 106 3.769 -16.120 -0.246 883 HE2 PHE 106 HE2 PHE 106 1.943 -19.972 -0.309 884 HZ PHE 106 HZ PHE 106 3.913 -18.555 0.105 885 H SER 107 H SER 107 0.479 -14.695 -4.925 886 HA SER 107 HA SER 107 -1.351 -16.295 -6.484 887 HB2 SER 107 HB2 SER 107 -0.612 -13.913 -7.079 888 HB3 SER 107 HB3 SER 107 0.917 -14.639 -7.574 889 HG SER 107 HG SER 107 -0.163 -14.810 -9.398 890 H GLN 108 H GLN 108 -0.481 -18.331 -5.603 891 HA GLN 108 HA GLN 108 2.158 -19.090 -6.498 892 HB2 GLN 108 HB2 GLN 108 0.090 -20.329 -4.733 893 HB3 GLN 108 HB3 GLN 108 1.350 -21.343 -5.423 894 HG2 GLN 108 HG2 GLN 108 2.088 -18.831 -3.993 895 HG3 GLN 108 HG3 GLN 108 1.668 -20.279 -3.077 896 HE21 GLN 108 HE21 GLN 108 4.213 -18.642 -3.873 897 HE22 GLN 108 HE22 GLN 108 5.360 -19.888 -4.213 898 H GLN 109 H GLN 109 -1.173 -19.594 -7.373 899 HA GLN 109 HA GLN 109 -1.006 -21.900 -8.903 900 HB2 GLN 109 HB2 GLN 109 -3.024 -20.309 -8.295 901 HB3 GLN 109 HB3 GLN 109 -2.682 -19.631 -9.880 902 HG2 GLN 109 HG2 GLN 109 -4.002 -21.213 -10.698 903 HG3 GLN 109 HG3 GLN 109 -2.699 -22.346 -10.342 904 HE21 GLN 109 HE21 GLN 109 -5.902 -21.704 -9.892 905 HE22 GLN 109 HE22 GLN 109 -6.201 -22.699 -8.512 906 H ASP 110 H ASP 110 -0.782 -22.269 -11.148 907 HA ASP 110 HA ASP 110 0.383 -20.153 -12.775 908 HB2 ASP 110 HB2 ASP 110 2.186 -21.540 -11.467 909 HB3 ASP 110 HB3 ASP 110 1.850 -22.765 -12.688 910 H THR 111 H THR 111 -2.113 -21.530 -12.880 911 HA THR 111 HA THR 111 -2.171 -23.653 -14.704 912 HB THR 111 HB THR 111 -4.356 -21.608 -14.657 913 HG1 THR 111 HG1 THR 111 -5.060 -22.561 -12.678 914 HG21 THR 111 HG21 THR 111 -4.113 -24.413 -15.307 915 HG22 THR 111 HG22 THR 111 -5.407 -23.271 -15.673 916 HG23 THR 111 HG23 THR 111 -5.385 -24.112 -14.123 917 H LYS 112 H LYS 112 -3.340 -23.392 -16.911 918 HA LYS 112 HA LYS 112 -2.758 -21.005 -18.372 919 HB2 LYS 112 HB2 LYS 112 -1.197 -22.010 -19.969 920 HB3 LYS 112 HB3 LYS 112 -0.532 -22.011 -18.342 921 HG2 LYS 112 HG2 LYS 112 -1.762 -24.450 -18.461 922 HG3 LYS 112 HG3 LYS 112 -1.172 -24.240 -20.111 923 HD2 LYS 112 HD2 LYS 112 0.807 -24.954 -19.361 924 HD3 LYS 112 HD3 LYS 112 0.947 -23.400 -18.538 925 HE2 LYS 112 HE2 LYS 112 -0.192 -24.401 -16.572 926 HE3 LYS 112 HE3 LYS 112 -0.165 -25.960 -17.396 927 HZ1 LYS 112 HZ1 LYS 112 2.395 -24.616 -17.228 928 HZ2 LYS 112 HZ2 LYS 112 2.005 -26.240 -16.965 929 HZ3 LYS 112 HZ3 LYS 112 1.750 -25.101 -15.740 930 H LEU 113 H LEU 113 -4.554 -20.796 -19.518 931 HA LEU 113 HA LEU 113 -6.339 -22.861 -20.127 932 HB2 LEU 113 HB2 LEU 113 -6.307 -20.095 -20.355 933 HB3 LEU 113 HB3 LEU 113 -6.453 -20.646 -22.013 934 HG LEU 113 HG LEU 113 -8.300 -22.170 -20.525 935 HD11 LEU 113 HD11 LEU 113 -9.362 -20.840 -19.060 936 HD12 LEU 113 HD12 LEU 113 -9.108 -19.389 -20.031 937 HD13 LEU 113 HD13 LEU 113 -7.815 -19.995 -18.996 938 HD21 LEU 113 HD21 LEU 113 -9.272 -19.820 -22.019 939 HD22 LEU 113 HD22 LEU 113 -9.706 -21.523 -22.168 940 HD23 LEU 113 HD23 LEU 113 -8.221 -20.924 -22.907 941 H SER 114 H SER 114 -6.404 -24.344 -21.686 942 HA SER 114 HA SER 114 -5.236 -23.920 -24.260 943 HB2 SER 114 HB2 SER 114 -3.377 -24.734 -22.564 944 HB3 SER 114 HB3 SER 114 -4.108 -26.310 -22.866 945 HG SER 114 HG SER 114 -2.306 -25.327 -24.312 946 H LEU 115 H LEU 115 -5.827 -25.532 -25.791 947 HA LEU 115 HA LEU 115 -8.370 -26.629 -25.409 948 HB2 LEU 115 HB2 LEU 115 -6.247 -26.796 -27.474 949 HB3 LEU 115 HB3 LEU 115 -7.485 -28.031 -27.508 950 HG LEU 115 HG LEU 115 -9.171 -26.523 -28.052 951 HD11 LEU 115 HD11 LEU 115 -7.365 -24.302 -27.103 952 HD12 LEU 115 HD12 LEU 115 -8.804 -24.908 -26.285 953 HD13 LEU 115 HD13 LEU 115 -8.954 -24.080 -27.835 954 HD21 LEU 115 HD21 LEU 115 -8.160 -25.009 -29.824 955 HD22 LEU 115 HD22 LEU 115 -7.836 -26.736 -29.973 956 HD23 LEU 115 HD23 LEU 115 -6.596 -25.658 -29.330 957 H GLU 116 H GLU 116 -5.171 -27.946 -24.927 958 HA GLU 116 HA GLU 116 -6.361 -30.297 -23.669 959 HB2 GLU 116 HB2 GLU 116 -5.812 -30.884 -26.042 960 HB3 GLU 116 HB3 GLU 116 -4.127 -30.531 -25.689 961 HG2 GLU 116 HG2 GLU 116 -4.066 -32.305 -24.045 962 HG3 GLU 116 HG3 GLU 116 -5.780 -32.629 -24.301
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