NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17867 | 2d89 | 11145 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 23.261 -3.134 -12.697 2 HA2 GLY 1 1HA GLY 1 25.326 -4.070 -11.312 3 HA3 GLY 1 2HA GLY 1 24.041 -3.189 -10.498 4 H SER 2 H SER 2 25.879 -5.650 -9.943 5 HA SER 2 HA SER 2 23.843 -7.628 -9.269 6 HB2 SER 2 1HB SER 2 26.856 -7.720 -8.984 7 HB3 SER 2 2HB SER 2 25.761 -9.059 -8.641 8 HG SER 2 HG SER 2 26.855 -8.544 -10.921 9 H SER 3 H SER 3 23.355 -8.275 -7.193 10 HA SER 3 HA SER 3 24.666 -6.965 -4.946 11 HB2 SER 3 1HB SER 3 22.914 -5.377 -5.461 12 HB3 SER 3 2HB SER 3 21.712 -6.665 -5.536 13 HG SER 3 HG SER 3 22.848 -5.418 -3.342 14 H GLY 4 H GLY 4 25.185 -8.606 -3.663 15 HA2 GLY 4 1HA GLY 4 23.733 -11.088 -3.702 16 HA3 GLY 4 2HA GLY 4 25.121 -10.706 -2.694 17 H SER 5 H SER 5 21.636 -10.174 -3.029 18 HA SER 5 HA SER 5 20.051 -9.564 -1.483 19 HB2 SER 5 1HB SER 5 21.603 -11.793 -0.180 20 HB3 SER 5 2HB SER 5 20.175 -11.097 0.585 21 HG SER 5 HG SER 5 20.376 -12.760 -1.599 22 H SER 6 H SER 6 22.078 -7.702 -1.459 23 HA SER 6 HA SER 6 22.575 -7.178 1.390 24 HB2 SER 6 1HB SER 6 23.963 -6.310 -1.128 25 HB3 SER 6 2HB SER 6 24.144 -5.371 0.353 26 HG SER 6 HG SER 6 24.605 -7.666 1.229 27 H GLY 7 H GLY 7 20.381 -6.465 1.715 28 HA2 GLY 7 1HA GLY 7 18.780 -4.838 1.951 29 HA3 GLY 7 2HA GLY 7 20.076 -3.687 1.659 30 HA PRO 8 HA PRO 8 18.076 -4.736 -2.637 31 HB2 PRO 8 1HB PRO 8 15.662 -5.974 -2.536 32 HB3 PRO 8 2HB PRO 8 17.191 -6.856 -2.633 33 HG2 PRO 8 1HG PRO 8 15.485 -6.281 -0.241 34 HG3 PRO 8 2HG PRO 8 16.311 -7.784 -0.691 35 HD2 PRO 8 1HD PRO 8 17.304 -6.075 1.158 36 HD3 PRO 8 2HD PRO 8 18.346 -7.053 0.106 37 H ASN 9 H ASN 9 17.606 -2.641 -3.017 38 HA ASN 9 HA ASN 9 14.917 -1.715 -2.340 39 HB2 ASN 9 1HB ASN 9 15.591 0.274 -1.316 40 HB3 ASN 9 2HB ASN 9 16.713 -0.910 -0.651 41 HD21 ASN 9 1HD2 ASN 9 18.680 -0.143 -0.505 42 HD22 ASN 9 2HD2 ASN 9 19.450 0.924 -1.625 43 H ALA 10 H ALA 10 14.027 -0.300 -3.813 44 HA ALA 10 HA ALA 10 15.472 1.094 -5.793 45 HB1 ALA 10 1HB ALA 10 15.916 -1.133 -6.678 46 HB2 ALA 10 2HB ALA 10 14.185 -1.464 -6.739 47 HB3 ALA 10 3HB ALA 10 14.881 -0.215 -7.771 48 H SER 11 H SER 11 14.007 2.000 -7.497 49 HA SER 11 HA SER 11 11.500 2.754 -6.255 50 HB2 SER 11 1HB SER 11 11.334 4.360 -8.144 51 HB3 SER 11 2HB SER 11 12.856 4.507 -7.264 52 HG SER 11 HG SER 11 12.372 3.418 -9.815 53 H GLN 12 H GLN 12 12.462 1.513 -9.460 54 HA GLN 12 HA GLN 12 9.886 0.995 -10.401 55 HB2 GLN 12 1HB GLN 12 11.773 1.024 -11.906 56 HB3 GLN 12 2HB GLN 12 12.512 -0.338 -11.075 57 HG2 GLN 12 1HG GLN 12 9.803 -0.708 -12.228 58 HG3 GLN 12 2HG GLN 12 11.178 -0.632 -13.328 59 HE21 GLN 12 1HE2 GLN 12 10.685 -2.821 -13.872 60 HE22 GLN 12 2HE2 GLN 12 11.205 -4.111 -12.847 61 H SER 13 H SER 13 12.167 -1.142 -8.717 62 HA SER 13 HA SER 13 10.889 -3.537 -8.793 63 HB2 SER 13 1HB SER 13 13.046 -2.984 -7.583 64 HB3 SER 13 2HB SER 13 12.055 -2.428 -6.234 65 HG SER 13 HG SER 13 11.239 -4.498 -6.014 66 H LEU 14 H LEU 14 10.196 -0.914 -6.494 67 HA LEU 14 HA LEU 14 8.094 -2.250 -5.163 68 HB2 LEU 14 1HB LEU 14 9.353 -0.278 -4.303 69 HB3 LEU 14 2HB LEU 14 8.481 0.723 -5.461 70 HG LEU 14 HG LEU 14 6.363 0.107 -4.328 71 HD11 LEU 14 1HD1 LEU 14 6.845 -0.769 -1.898 72 HD12 LEU 14 2HD1 LEU 14 8.251 -1.493 -2.677 73 HD13 LEU 14 3HD1 LEU 14 6.629 -1.888 -3.244 74 HD21 LEU 14 1HD2 LEU 14 8.326 1.919 -3.533 75 HD22 LEU 14 2HD2 LEU 14 7.766 1.163 -2.041 76 HD23 LEU 14 3HD2 LEU 14 6.613 1.953 -3.117 77 H LEU 15 H LEU 15 7.785 0.602 -7.281 78 HA LEU 15 HA LEU 15 5.141 0.682 -7.718 79 HB2 LEU 15 1HB LEU 15 7.031 2.047 -8.798 80 HB3 LEU 15 2HB LEU 15 6.994 0.830 -10.072 81 HG LEU 15 HG LEU 15 4.428 1.467 -10.120 82 HD11 LEU 15 1HD1 LEU 15 5.656 4.078 -9.275 83 HD12 LEU 15 2HD1 LEU 15 4.763 3.035 -8.169 84 HD13 LEU 15 3HD1 LEU 15 3.957 3.716 -9.581 85 HD21 LEU 15 1HD2 LEU 15 5.005 2.192 -12.139 86 HD22 LEU 15 2HD2 LEU 15 6.693 2.076 -11.640 87 HD23 LEU 15 3HD2 LEU 15 5.822 3.600 -11.460 88 H VAL 16 H VAL 16 7.309 -1.764 -8.935 89 HA VAL 16 HA VAL 16 5.360 -2.929 -10.715 90 HB VAL 16 HB VAL 16 8.021 -3.999 -9.763 91 HG11 VAL 16 1HG1 VAL 16 6.847 -4.982 -12.274 92 HG12 VAL 16 2HG1 VAL 16 7.732 -5.848 -11.016 93 HG13 VAL 16 3HG1 VAL 16 6.018 -5.490 -10.803 94 HG21 VAL 16 1HG2 VAL 16 7.972 -3.324 -12.525 95 HG22 VAL 16 2HG2 VAL 16 7.377 -1.943 -11.604 96 HG23 VAL 16 3HG2 VAL 16 8.959 -2.631 -11.239 97 H TRP 17 H TRP 17 6.872 -3.860 -7.631 98 HA TRP 17 HA TRP 17 5.659 -6.277 -7.186 99 HB2 TRP 17 1HB TRP 17 7.364 -5.199 -5.710 100 HB3 TRP 17 2HB TRP 17 6.094 -4.158 -5.071 101 HD1 TRP 17 HD TRP 17 7.303 -7.792 -5.002 102 HE1 TRP 17 1HE TRP 17 6.181 -8.992 -3.021 103 HE3 TRP 17 3HE TRP 17 4.040 -4.124 -3.575 104 HZ2 TRP 17 2HZ TRP 17 4.177 -8.455 -1.107 105 HZ3 TRP 17 3HZ TRP 17 2.554 -4.547 -1.660 106 HH2 TRP 17 HH TRP 17 2.622 -6.668 -0.453 107 H CYS 18 H CYS 18 4.336 -3.057 -6.512 108 HA CYS 18 HA CYS 18 1.902 -4.026 -5.395 109 HB2 CYS 18 1HB CYS 18 1.130 -1.649 -5.747 110 HB3 CYS 18 2HB CYS 18 2.595 -1.824 -4.787 111 HG CYS 18 HG CYS 18 3.802 -0.011 -6.138 112 H LYS 19 H LYS 19 2.809 -2.783 -8.591 113 HA LYS 19 HA LYS 19 0.235 -2.969 -9.737 114 HB2 LYS 19 1HB LYS 19 3.008 -2.877 -10.907 115 HB3 LYS 19 2HB LYS 19 1.581 -3.016 -11.926 116 HG2 LYS 19 1HG LYS 19 0.805 -0.899 -11.334 117 HG3 LYS 19 2HG LYS 19 1.839 -0.818 -9.907 118 HD2 LYS 19 1HD LYS 19 3.016 0.538 -11.325 119 HD3 LYS 19 2HD LYS 19 3.755 -1.017 -11.713 120 HE2 LYS 19 1HE LYS 19 2.265 -1.254 -13.630 121 HE3 LYS 19 2HE LYS 19 1.491 0.279 -13.230 122 HZ1 LYS 19 1HZ LYS 19 3.105 0.587 -14.974 123 HZ2 LYS 19 2HZ LYS 19 4.328 -0.096 -14.026 124 HZ3 LYS 19 3HZ LYS 19 3.635 1.380 -13.576 125 H GLU 20 H GLU 20 2.643 -5.326 -9.037 126 HA GLU 20 HA GLU 20 1.786 -7.277 -10.949 127 HB2 GLU 20 1HB GLU 20 4.066 -7.078 -9.714 128 HB3 GLU 20 2HB GLU 20 3.254 -7.945 -8.418 129 HG2 GLU 20 1HG GLU 20 3.010 -9.870 -9.678 130 HG3 GLU 20 2HG GLU 20 3.208 -9.014 -11.206 131 H VAL 21 H VAL 21 1.576 -7.232 -7.386 132 HA VAL 21 HA VAL 21 -0.210 -9.365 -7.149 133 HB VAL 21 HB VAL 21 -0.536 -8.736 -4.901 134 HG11 VAL 21 1HG1 VAL 21 2.041 -7.439 -4.889 135 HG12 VAL 21 2HG1 VAL 21 1.590 -9.051 -4.329 136 HG13 VAL 21 3HG1 VAL 21 2.015 -8.790 -6.022 137 HG21 VAL 21 1HG2 VAL 21 -1.294 -6.610 -4.715 138 HG22 VAL 21 2HG2 VAL 21 0.393 -6.290 -4.316 139 HG23 VAL 21 3HG2 VAL 21 -0.197 -5.993 -5.950 140 H THR 22 H THR 22 -0.739 -6.159 -8.212 141 HA THR 22 HA THR 22 -3.651 -6.474 -7.897 142 HB THR 22 HB THR 22 -3.832 -4.044 -8.175 143 HG1 THR 22 1HG THR 22 -1.085 -4.308 -8.666 144 HG21 THR 22 1HG2 THR 22 -1.919 -4.980 -6.039 145 HG22 THR 22 2HG2 THR 22 -3.669 -4.799 -5.916 146 HG23 THR 22 3HG2 THR 22 -2.643 -3.373 -6.062 147 H LYS 23 H LYS 23 -1.716 -7.465 -10.040 148 HA LYS 23 HA LYS 23 -2.168 -6.046 -12.424 149 HB2 LYS 23 1HB LYS 23 -1.347 -7.985 -13.565 150 HB3 LYS 23 2HB LYS 23 -0.432 -7.820 -12.072 151 HG2 LYS 23 1HG LYS 23 -2.194 -9.472 -11.117 152 HG3 LYS 23 2HG LYS 23 -2.489 -9.849 -12.816 153 HD2 LYS 23 1HD LYS 23 -0.431 -10.803 -13.102 154 HD3 LYS 23 2HD LYS 23 0.329 -9.790 -11.872 155 HE2 LYS 23 1HE LYS 23 -1.611 -12.024 -11.290 156 HE3 LYS 23 2HE LYS 23 0.143 -12.189 -11.236 157 HZ1 LYS 23 1HZ LYS 23 -1.059 -10.032 -9.674 158 HZ2 LYS 23 2HZ LYS 23 0.293 -10.990 -9.332 159 HZ3 LYS 23 3HZ LYS 23 -1.264 -11.612 -9.103 160 H ASN 24 H ASN 24 -3.990 -8.604 -10.824 161 HA ASN 24 HA ASN 24 -6.013 -8.488 -12.947 162 HB2 ASN 24 1HB ASN 24 -6.946 -10.506 -11.608 163 HB3 ASN 24 2HB ASN 24 -5.492 -10.735 -12.575 164 HD21 ASN 24 1HD2 ASN 24 -4.091 -11.972 -11.580 165 HD22 ASN 24 2HD2 ASN 24 -3.742 -11.967 -9.888 166 H TYR 25 H TYR 25 -5.950 -6.246 -11.399 167 HA TYR 25 HA TYR 25 -8.317 -6.559 -9.670 168 HB2 TYR 25 1HB TYR 25 -5.857 -4.878 -9.351 169 HB3 TYR 25 2HB TYR 25 -7.375 -4.340 -8.643 170 HD1 TYR 25 2HD TYR 25 -5.532 -7.591 -8.883 171 HD2 TYR 25 1HD TYR 25 -7.552 -4.791 -6.397 172 HE1 TYR 25 2HE TYR 25 -5.131 -9.039 -6.936 173 HE2 TYR 25 1HE TYR 25 -7.156 -6.231 -4.443 174 HH TYR 25 HH TYR 25 -5.964 -8.009 -3.677 175 H ARG 26 H ARG 26 -9.514 -4.399 -9.421 176 HA ARG 26 HA ARG 26 -9.733 -3.148 -12.080 177 HB2 ARG 26 1HB ARG 26 -11.844 -3.761 -10.014 178 HB3 ARG 26 2HB ARG 26 -12.124 -2.666 -11.361 179 HG2 ARG 26 1HG ARG 26 -12.996 -4.741 -12.027 180 HG3 ARG 26 2HG ARG 26 -11.461 -4.573 -12.881 181 HD2 ARG 26 1HD ARG 26 -11.716 -6.823 -11.981 182 HD3 ARG 26 2HD ARG 26 -10.373 -5.982 -11.206 183 HE ARG 26 HE ARG 26 -11.493 -6.106 -9.213 184 HH11 ARG 26 1HH1 ARG 26 -13.709 -6.781 -11.811 185 HH12 ARG 26 2HH1 ARG 26 -14.999 -7.262 -10.760 186 HH21 ARG 26 1HH2 ARG 26 -13.184 -6.737 -7.818 187 HH22 ARG 26 2HH2 ARG 26 -14.700 -7.236 -8.489 188 H GLY 27 H GLY 27 -9.386 -1.024 -12.216 189 HA2 GLY 27 1HA GLY 27 -9.220 1.195 -11.613 190 HA3 GLY 27 2HA GLY 27 -10.071 0.803 -10.126 191 H VAL 28 H VAL 28 -7.132 -0.823 -11.092 192 HA VAL 28 HA VAL 28 -5.736 0.520 -8.869 193 HB VAL 28 HB VAL 28 -5.239 -2.259 -9.946 194 HG11 VAL 28 1HG1 VAL 28 -4.051 -2.147 -7.509 195 HG12 VAL 28 2HG1 VAL 28 -3.216 -1.882 -9.041 196 HG13 VAL 28 3HG1 VAL 28 -3.784 -0.505 -8.094 197 HG21 VAL 28 1HG2 VAL 28 -7.336 -2.225 -8.779 198 HG22 VAL 28 2HG2 VAL 28 -6.134 -2.989 -7.739 199 HG23 VAL 28 3HG2 VAL 28 -6.629 -1.324 -7.439 200 H LYS 29 H LYS 29 -4.827 2.168 -10.096 201 HA LYS 29 HA LYS 29 -2.804 1.295 -12.054 202 HB2 LYS 29 1HB LYS 29 -4.908 2.734 -12.779 203 HB3 LYS 29 2HB LYS 29 -3.931 4.057 -12.156 204 HG2 LYS 29 1HG LYS 29 -2.081 3.211 -13.672 205 HG3 LYS 29 2HG LYS 29 -3.312 2.198 -14.429 206 HD2 LYS 29 1HD LYS 29 -4.655 4.351 -14.723 207 HD3 LYS 29 2HD LYS 29 -3.158 5.199 -14.327 208 HE2 LYS 29 1HE LYS 29 -3.305 5.061 -16.704 209 HE3 LYS 29 2HE LYS 29 -2.052 3.936 -16.181 210 HZ1 LYS 29 1HZ LYS 29 -3.838 3.202 -17.899 211 HZ2 LYS 29 2HZ LYS 29 -4.799 2.955 -16.529 212 HZ3 LYS 29 3HZ LYS 29 -3.334 2.126 -16.695 213 H ILE 30 H ILE 30 -1.208 1.164 -10.432 214 HA ILE 30 HA ILE 30 -0.607 3.247 -8.627 215 HB ILE 30 HB ILE 30 1.165 1.052 -9.706 216 HG12 ILE 30 1HG1 ILE 30 0.697 0.360 -7.167 217 HG13 ILE 30 2HG1 ILE 30 -0.773 1.283 -7.457 218 HG21 ILE 30 1HG2 ILE 30 1.945 3.352 -8.344 219 HG22 ILE 30 2HG2 ILE 30 1.903 2.087 -7.117 220 HG23 ILE 30 3HG2 ILE 30 2.886 1.877 -8.565 221 HD11 ILE 30 1HD1 ILE 30 -0.449 -0.408 -9.673 222 HD12 ILE 30 2HD1 ILE 30 -0.133 -1.383 -8.237 223 HD13 ILE 30 3HD1 ILE 30 -1.657 -0.509 -8.392 224 H THR 31 H THR 31 -0.828 5.032 -10.227 225 HA THR 31 HA THR 31 1.295 5.402 -12.138 226 HB THR 31 HB THR 31 0.290 7.696 -12.405 227 HG1 THR 31 1HG THR 31 -0.694 8.038 -10.445 228 HG21 THR 31 1HG2 THR 31 -1.444 5.248 -12.704 229 HG22 THR 31 2HG2 THR 31 -0.417 6.005 -13.922 230 HG23 THR 31 3HG2 THR 31 -1.877 6.823 -13.366 231 H ASN 32 H ASN 32 0.469 6.643 -8.939 232 HA ASN 32 HA ASN 32 3.207 7.673 -8.708 233 HB2 ASN 32 1HB ASN 32 1.940 9.525 -7.237 234 HB3 ASN 32 2HB ASN 32 2.275 9.742 -8.953 235 HD21 ASN 32 1HD2 ASN 32 0.596 10.872 -9.668 236 HD22 ASN 32 2HD2 ASN 32 -1.061 10.418 -9.492 237 H PHE 33 H PHE 33 3.792 8.127 -6.400 238 HA PHE 33 HA PHE 33 2.664 6.017 -4.703 239 HB2 PHE 33 1HB PHE 33 5.335 7.378 -4.816 240 HB3 PHE 33 2HB PHE 33 4.817 6.578 -3.336 241 HD1 PHE 33 2HD PHE 33 3.972 4.120 -3.633 242 HD2 PHE 33 1HD PHE 33 6.465 6.166 -6.410 243 HE1 PHE 33 2HE PHE 33 4.734 1.961 -4.533 244 HE2 PHE 33 1HE PHE 33 7.231 4.011 -7.316 245 HZ PHE 33 HZ PHE 33 6.366 1.904 -6.377 246 H THR 34 H THR 34 2.026 9.099 -5.201 247 HA THR 34 HA THR 34 1.847 9.833 -2.357 248 HB THR 34 HB THR 34 1.367 12.152 -3.244 249 HG1 THR 34 1HG THR 34 2.481 11.222 -5.675 250 HG21 THR 34 1HG2 THR 34 3.528 12.534 -2.850 251 HG22 THR 34 2HG2 THR 34 3.987 11.758 -4.366 252 HG23 THR 34 3HG2 THR 34 3.798 10.793 -2.902 253 H THR 35 H THR 35 -0.038 10.324 -5.351 254 HA THR 35 HA THR 35 -2.487 10.591 -3.853 255 HB THR 35 HB THR 35 -3.538 10.685 -6.160 256 HG1 THR 35 1HG THR 35 -1.673 11.222 -7.735 257 HG21 THR 35 1HG2 THR 35 -2.669 12.656 -4.758 258 HG22 THR 35 2HG2 THR 35 -2.948 12.931 -6.478 259 HG23 THR 35 3HG2 THR 35 -1.309 12.679 -5.880 260 H SER 36 H SER 36 -1.302 8.312 -6.328 261 HA SER 36 HA SER 36 -3.300 6.541 -6.559 262 HB2 SER 36 1HB SER 36 -0.808 6.433 -7.385 263 HB3 SER 36 2HB SER 36 -0.591 5.395 -5.976 264 HG SER 36 HG SER 36 -2.204 4.991 -8.249 265 H TRP 37 H TRP 37 -1.329 6.991 -3.708 266 HA TRP 37 HA TRP 37 -2.793 4.831 -2.351 267 HB2 TRP 37 1HB TRP 37 -0.325 6.244 -1.336 268 HB3 TRP 37 2HB TRP 37 -1.014 4.729 -0.761 269 HD1 TRP 37 HD TRP 37 0.849 6.151 -3.831 270 HE1 TRP 37 1HE TRP 37 2.093 4.214 -4.981 271 HE3 TRP 37 3HE TRP 37 -0.900 2.270 -0.999 272 HZ2 TRP 37 2HZ TRP 37 2.305 1.411 -4.722 273 HZ3 TRP 37 3HZ TRP 37 -0.128 -0.008 -1.516 274 HH2 TRP 37 HH TRP 37 1.441 -0.427 -3.340 275 H ARG 38 H ARG 38 -2.371 8.237 -2.505 276 HA ARG 38 HA ARG 38 -2.874 9.275 -0.085 277 HB2 ARG 38 1HB ARG 38 -2.809 10.819 -1.834 278 HB3 ARG 38 2HB ARG 38 -4.042 9.972 -2.758 279 HG2 ARG 38 1HG ARG 38 -5.767 10.743 -1.303 280 HG3 ARG 38 2HG ARG 38 -4.586 11.408 -0.172 281 HD2 ARG 38 1HD ARG 38 -5.331 13.271 -1.361 282 HD3 ARG 38 2HD ARG 38 -3.806 12.852 -2.142 283 HE ARG 38 HE ARG 38 -5.869 11.542 -3.496 284 HH11 ARG 38 1HH1 ARG 38 -4.722 14.777 -2.918 285 HH12 ARG 38 2HH1 ARG 38 -5.328 15.400 -4.417 286 HH21 ARG 38 1HH2 ARG 38 -6.672 12.349 -5.472 287 HH22 ARG 38 2HH2 ARG 38 -6.438 14.018 -5.869 288 H ASN 39 H ASN 39 -5.386 7.859 -2.171 289 HA ASN 39 HA ASN 39 -7.454 8.181 -0.226 290 HB2 ASN 39 1HB ASN 39 -8.600 6.444 -1.826 291 HB3 ASN 39 2HB ASN 39 -8.317 8.094 -2.373 292 HD21 ASN 39 1HD2 ASN 39 -8.554 6.995 -4.479 293 HD22 ASN 39 2HD2 ASN 39 -7.139 6.317 -5.202 294 H GLY 40 H GLY 40 -5.653 5.352 -1.435 295 HA2 GLY 40 1HA GLY 40 -4.811 3.801 0.297 296 HA3 GLY 40 2HA GLY 40 -6.376 3.973 1.078 297 H LEU 41 H LEU 41 -5.888 3.630 -2.387 298 HA LEU 41 HA LEU 41 -7.664 1.356 -2.424 299 HB2 LEU 41 1HB LEU 41 -6.284 2.993 -4.518 300 HB3 LEU 41 2HB LEU 41 -7.069 1.472 -4.938 301 HG LEU 41 HG LEU 41 -8.348 3.986 -3.887 302 HD11 LEU 41 1HD1 LEU 41 -7.841 3.788 -6.322 303 HD12 LEU 41 2HD1 LEU 41 -9.555 3.967 -5.945 304 HD13 LEU 41 3HD1 LEU 41 -8.907 2.383 -6.374 305 HD21 LEU 41 1HD2 LEU 41 -10.481 2.655 -4.056 306 HD22 LEU 41 2HD2 LEU 41 -9.433 2.248 -2.698 307 HD23 LEU 41 3HD2 LEU 41 -9.477 1.207 -4.121 308 H SER 42 H SER 42 -4.398 1.906 -3.760 309 HA SER 42 HA SER 42 -3.787 -0.728 -4.343 310 HB2 SER 42 1HB SER 42 -1.880 1.433 -3.413 311 HB3 SER 42 2HB SER 42 -1.423 -0.044 -4.261 312 HG SER 42 HG SER 42 -3.331 1.676 -5.395 313 H PHE 43 H PHE 43 -3.623 0.974 -1.285 314 HA PHE 43 HA PHE 43 -2.084 -0.882 0.154 315 HB2 PHE 43 1HB PHE 43 -4.040 1.255 0.891 316 HB3 PHE 43 2HB PHE 43 -3.521 0.118 2.132 317 HD1 PHE 43 2HD PHE 43 -0.763 -0.312 1.750 318 HD2 PHE 43 1HD PHE 43 -2.979 3.267 1.120 319 HE1 PHE 43 2HE PHE 43 1.280 1.012 2.108 320 HE2 PHE 43 1HE PHE 43 -0.939 4.597 1.476 321 HZ PHE 43 HZ PHE 43 1.194 3.469 1.972 322 H CYS 44 H CYS 44 -5.577 -0.640 -0.361 323 HA CYS 44 HA CYS 44 -6.147 -2.946 1.258 324 HB2 CYS 44 1HB CYS 44 -7.797 -1.191 -0.545 325 HB3 CYS 44 2HB CYS 44 -8.460 -2.666 0.148 326 HG CYS 44 HG CYS 44 -7.633 0.233 1.696 327 H ALA 45 H ALA 45 -5.698 -2.263 -2.151 328 HA ALA 45 HA ALA 45 -6.716 -4.651 -3.214 329 HB1 ALA 45 1HB ALA 45 -5.785 -2.406 -4.315 330 HB2 ALA 45 2HB ALA 45 -4.368 -3.432 -4.540 331 HB3 ALA 45 3HB ALA 45 -5.925 -3.920 -5.209 332 H ILE 46 H ILE 46 -3.415 -3.794 -2.210 333 HA ILE 46 HA ILE 46 -2.167 -6.190 -2.915 334 HB ILE 46 HB ILE 46 -1.504 -4.276 -0.677 335 HG12 ILE 46 1HG1 ILE 46 -0.126 -4.597 -3.340 336 HG13 ILE 46 2HG1 ILE 46 -1.476 -3.491 -3.111 337 HG21 ILE 46 1HG2 ILE 46 -0.455 -6.317 -0.105 338 HG22 ILE 46 2HG2 ILE 46 0.022 -6.622 -1.774 339 HG23 ILE 46 3HG2 ILE 46 0.789 -5.322 -0.862 340 HD11 ILE 46 1HD1 ILE 46 0.944 -3.352 -1.361 341 HD12 ILE 46 2HD1 ILE 46 0.904 -2.570 -2.942 342 HD13 ILE 46 3HD1 ILE 46 -0.260 -2.109 -1.699 343 H LEU 47 H LEU 47 -3.270 -5.204 0.335 344 HA LEU 47 HA LEU 47 -2.832 -7.623 1.619 345 HB2 LEU 47 1HB LEU 47 -3.400 -5.469 2.712 346 HB3 LEU 47 2HB LEU 47 -5.067 -5.680 2.179 347 HG LEU 47 HG LEU 47 -5.184 -7.750 3.553 348 HD11 LEU 47 1HD1 LEU 47 -2.357 -7.187 3.836 349 HD12 LEU 47 2HD1 LEU 47 -3.257 -8.661 4.189 350 HD13 LEU 47 3HD1 LEU 47 -3.154 -7.380 5.397 351 HD21 LEU 47 1HD2 LEU 47 -5.696 -6.619 5.503 352 HD22 LEU 47 2HD2 LEU 47 -5.774 -5.334 4.297 353 HD23 LEU 47 3HD2 LEU 47 -4.351 -5.492 5.328 354 H HIS 48 H HIS 48 -5.412 -6.659 -0.505 355 HA HIS 48 HA HIS 48 -7.201 -8.778 0.190 356 HB2 HIS 48 1HB HIS 48 -7.982 -6.677 -0.845 357 HB3 HIS 48 2HB HIS 48 -7.103 -7.084 -2.316 358 HD1 HIS 48 1HD HIS 48 -7.961 -9.366 -3.523 359 HD2 HIS 48 2HD HIS 48 -10.530 -7.618 -0.765 360 HE1 HIS 48 1HE HIS 48 -10.226 -10.352 -3.996 361 HE2 HIS 48 2HE HIS 48 -11.779 -9.215 -2.371 362 H HIS 49 H HIS 49 -4.549 -8.398 -2.035 363 HA HIS 49 HA HIS 49 -5.074 -10.508 -3.793 364 HB2 HIS 49 1HB HIS 49 -3.250 -8.703 -3.930 365 HB3 HIS 49 2HB HIS 49 -2.300 -9.758 -2.889 366 HD1 HIS 49 1HD HIS 49 -4.414 -10.592 -5.943 367 HD2 HIS 49 2HD HIS 49 -0.517 -10.936 -4.544 368 HE1 HIS 49 1HE HIS 49 -3.176 -11.883 -7.712 369 HE2 HIS 49 2HE HIS 49 -0.842 -12.152 -6.804 370 H PHE 50 H PHE 50 -3.094 -10.492 -0.831 371 HA PHE 50 HA PHE 50 -2.687 -13.326 -0.902 372 HB2 PHE 50 1HB PHE 50 -2.263 -11.453 1.432 373 HB3 PHE 50 2HB PHE 50 -1.536 -13.040 1.197 374 HD1 PHE 50 1HD PHE 50 0.282 -13.358 -0.371 375 HD2 PHE 50 2HD PHE 50 -1.454 -9.520 0.242 376 HE1 PHE 50 1HE PHE 50 2.204 -12.312 -1.496 377 HE2 PHE 50 2HE PHE 50 0.465 -8.468 -0.883 378 HZ PHE 50 HZ PHE 50 2.297 -9.864 -1.754 379 H ARG 51 H ARG 51 -4.556 -11.166 1.228 380 HA ARG 51 HA ARG 51 -6.324 -13.444 1.824 381 HB2 ARG 51 1HB ARG 51 -5.023 -11.502 3.688 382 HB3 ARG 51 2HB ARG 51 -6.620 -12.121 4.087 383 HG2 ARG 51 1HG ARG 51 -5.218 -13.587 5.184 384 HG3 ARG 51 2HG ARG 51 -5.563 -14.444 3.680 385 HD2 ARG 51 1HD ARG 51 -3.215 -14.609 4.116 386 HD3 ARG 51 2HD ARG 51 -3.447 -13.522 2.747 387 HE ARG 51 HE ARG 51 -3.353 -11.850 4.881 388 HH11 ARG 51 1HH1 ARG 51 -1.266 -14.372 3.695 389 HH12 ARG 51 2HH1 ARG 51 0.181 -13.643 4.309 390 HH21 ARG 51 1HH2 ARG 51 -1.455 -10.880 5.694 391 HH22 ARG 51 2HH2 ARG 51 0.072 -11.658 5.447 392 HA PRO 52 HA PRO 52 -8.910 -10.110 0.042 393 HB2 PRO 52 1HB PRO 52 -10.689 -11.818 -1.093 394 HB3 PRO 52 2HB PRO 52 -9.167 -11.363 -1.867 395 HG2 PRO 52 1HG PRO 52 -9.838 -13.832 -0.313 396 HG3 PRO 52 2HG PRO 52 -8.925 -13.675 -1.825 397 HD2 PRO 52 1HD PRO 52 -7.719 -13.995 0.578 398 HD3 PRO 52 2HD PRO 52 -6.989 -13.055 -0.739 399 H ASP 53 H ASP 53 -9.286 -12.432 2.441 400 HA ASP 53 HA ASP 53 -12.048 -11.630 3.032 401 HB2 ASP 53 1HB ASP 53 -10.351 -13.941 3.964 402 HB3 ASP 53 2HB ASP 53 -11.865 -13.513 4.756 403 H LEU 54 H LEU 54 -9.394 -10.163 3.531 404 HA LEU 54 HA LEU 54 -9.620 -9.842 6.442 405 HB2 LEU 54 1HB LEU 54 -7.439 -9.456 4.471 406 HB3 LEU 54 2HB LEU 54 -7.473 -8.374 5.861 407 HG LEU 54 HG LEU 54 -7.368 -11.385 6.020 408 HD11 LEU 54 1HD1 LEU 54 -5.337 -10.099 5.077 409 HD12 LEU 54 2HD1 LEU 54 -5.083 -11.259 6.382 410 HD13 LEU 54 3HD1 LEU 54 -5.131 -9.532 6.735 411 HD21 LEU 54 1HD2 LEU 54 -7.877 -9.289 7.956 412 HD22 LEU 54 2HD2 LEU 54 -6.472 -10.265 8.389 413 HD23 LEU 54 3HD2 LEU 54 -8.034 -11.039 8.117 414 H ILE 55 H ILE 55 -9.787 -8.112 3.390 415 HA ILE 55 HA ILE 55 -10.793 -5.756 4.849 416 HB ILE 55 HB ILE 55 -9.779 -5.439 2.074 417 HG12 ILE 55 1HG1 ILE 55 -7.500 -4.918 3.375 418 HG13 ILE 55 2HG1 ILE 55 -8.110 -6.198 4.418 419 HG21 ILE 55 1HG2 ILE 55 -10.361 -3.378 2.735 420 HG22 ILE 55 2HG2 ILE 55 -10.307 -3.807 4.444 421 HG23 ILE 55 3HG2 ILE 55 -8.820 -3.390 3.593 422 HD11 ILE 55 1HD1 ILE 55 -7.125 -7.596 3.002 423 HD12 ILE 55 2HD1 ILE 55 -8.453 -7.234 1.899 424 HD13 ILE 55 3HD1 ILE 55 -6.933 -6.348 1.771 425 H ASP 56 H ASP 56 -12.043 -4.312 3.088 426 HA ASP 56 HA ASP 56 -14.070 -6.100 1.916 427 HB2 ASP 56 1HB ASP 56 -14.342 -3.299 3.022 428 HB3 ASP 56 2HB ASP 56 -15.625 -4.147 2.163 429 H TYR 57 H TYR 57 -11.558 -5.066 0.694 430 HA TYR 57 HA TYR 57 -11.906 -2.995 -1.081 431 HB2 TYR 57 1HB TYR 57 -9.789 -4.252 -0.747 432 HB3 TYR 57 2HB TYR 57 -10.467 -5.592 -1.665 433 HD1 TYR 57 2HD TYR 57 -11.152 -5.136 -4.091 434 HD2 TYR 57 1HD TYR 57 -8.682 -2.504 -1.839 435 HE1 TYR 57 2HE TYR 57 -10.340 -4.122 -6.179 436 HE2 TYR 57 1HE TYR 57 -7.863 -1.482 -3.921 437 HH TYR 57 HH TYR 57 -8.438 -1.234 -6.200 438 H LYS 58 H LYS 58 -13.466 -6.048 -1.056 439 HA LYS 58 HA LYS 58 -14.091 -6.370 -3.769 440 HB2 LYS 58 1HB LYS 58 -16.074 -7.134 -1.668 441 HB3 LYS 58 2HB LYS 58 -15.560 -8.024 -3.096 442 HG2 LYS 58 1HG LYS 58 -13.283 -8.179 -1.856 443 HG3 LYS 58 2HG LYS 58 -14.248 -7.810 -0.425 444 HD2 LYS 58 1HD LYS 58 -15.358 -9.805 -0.492 445 HD3 LYS 58 2HD LYS 58 -15.233 -9.939 -2.248 446 HE2 LYS 58 1HE LYS 58 -12.732 -10.086 -0.650 447 HE3 LYS 58 2HE LYS 58 -13.817 -11.474 -0.615 448 HZ1 LYS 58 1HZ LYS 58 -13.010 -10.274 -3.184 449 HZ2 LYS 58 2HZ LYS 58 -13.549 -11.845 -2.867 450 HZ3 LYS 58 3HZ LYS 58 -11.993 -11.374 -2.399 451 H SER 59 H SER 59 -15.508 -4.360 -1.280 452 HA SER 59 HA SER 59 -17.280 -3.192 -3.320 453 HB2 SER 59 1HB SER 59 -18.370 -4.679 -1.451 454 HB3 SER 59 2HB SER 59 -18.115 -3.256 -0.441 455 HG SER 59 HG SER 59 -20.089 -3.683 -2.109 456 H LEU 60 H LEU 60 -14.651 -2.348 -2.520 457 HA LEU 60 HA LEU 60 -15.090 0.016 -0.873 458 HB2 LEU 60 1HB LEU 60 -12.691 -1.389 -1.961 459 HB3 LEU 60 2HB LEU 60 -12.558 0.294 -1.455 460 HG LEU 60 HG LEU 60 -13.140 -2.128 0.224 461 HD11 LEU 60 1HD1 LEU 60 -11.243 0.000 1.002 462 HD12 LEU 60 2HD1 LEU 60 -10.795 -0.998 -0.381 463 HD13 LEU 60 3HD1 LEU 60 -11.126 -1.751 1.179 464 HD21 LEU 60 1HD2 LEU 60 -13.333 -0.344 2.086 465 HD22 LEU 60 2HD2 LEU 60 -14.744 -0.693 1.087 466 HD23 LEU 60 3HD2 LEU 60 -13.774 0.746 0.771 467 H ASN 61 H ASN 61 -13.506 1.911 -1.836 468 HA ASN 61 HA ASN 61 -13.590 2.347 -4.622 469 HB2 ASN 61 1HB ASN 61 -15.904 3.342 -3.009 470 HB3 ASN 61 2HB ASN 61 -15.303 4.336 -4.332 471 HD21 ASN 61 1HD2 ASN 61 -14.622 2.517 -6.207 472 HD22 ASN 61 2HD2 ASN 61 -16.016 1.639 -6.728 473 HA PRO 62 HA PRO 62 -10.807 5.562 -3.546 474 HB2 PRO 62 1HB PRO 62 -11.201 7.362 -5.540 475 HB3 PRO 62 2HB PRO 62 -10.384 5.815 -5.790 476 HG2 PRO 62 1HG PRO 62 -13.220 6.575 -6.373 477 HG3 PRO 62 2HG PRO 62 -12.089 5.631 -7.360 478 HD2 PRO 62 1HD PRO 62 -14.017 4.477 -5.850 479 HD3 PRO 62 2HD PRO 62 -12.450 3.701 -6.154 480 H GLN 63 H GLN 63 -14.053 5.923 -3.165 481 HA GLN 63 HA GLN 63 -14.157 8.761 -2.679 482 HB2 GLN 63 1HB GLN 63 -16.440 8.230 -1.777 483 HB3 GLN 63 2HB GLN 63 -16.173 7.735 -3.444 484 HG2 GLN 63 1HG GLN 63 -17.397 6.063 -2.116 485 HG3 GLN 63 2HG GLN 63 -15.883 5.450 -2.778 486 HE21 GLN 63 1HE2 GLN 63 -15.188 3.992 -1.373 487 HE22 GLN 63 2HE2 GLN 63 -15.003 4.240 0.327 488 H ASP 64 H ASP 64 -12.925 6.169 -0.995 489 HA ASP 64 HA ASP 64 -13.279 7.550 1.586 490 HB2 ASP 64 1HB ASP 64 -13.231 4.649 0.876 491 HB3 ASP 64 2HB ASP 64 -12.594 5.140 2.443 492 H ILE 65 H ILE 65 -11.502 8.612 2.137 493 HA ILE 65 HA ILE 65 -8.898 7.659 1.207 494 HB ILE 65 HB ILE 65 -9.616 10.262 2.561 495 HG12 ILE 65 1HG1 ILE 65 -8.987 9.701 -0.345 496 HG13 ILE 65 2HG1 ILE 65 -10.604 9.973 0.296 497 HG21 ILE 65 1HG2 ILE 65 -7.218 10.483 1.122 498 HG22 ILE 65 2HG2 ILE 65 -7.433 10.515 2.871 499 HG23 ILE 65 3HG2 ILE 65 -7.098 8.990 2.052 500 HD11 ILE 65 1HD1 ILE 65 -8.333 11.946 0.296 501 HD12 ILE 65 2HD1 ILE 65 -9.757 11.977 -0.745 502 HD13 ILE 65 3HD1 ILE 65 -9.929 12.224 0.992 503 H LYS 66 H LYS 66 -10.496 8.691 4.211 504 HA LYS 66 HA LYS 66 -8.318 7.988 5.897 505 HB2 LYS 66 1HB LYS 66 -10.307 9.579 6.363 506 HB3 LYS 66 2HB LYS 66 -11.180 8.119 6.811 507 HG2 LYS 66 1HG LYS 66 -9.471 7.631 8.502 508 HG3 LYS 66 2HG LYS 66 -8.633 9.124 8.068 509 HD2 LYS 66 1HD LYS 66 -11.502 9.063 8.981 510 HD3 LYS 66 2HD LYS 66 -10.145 9.240 10.096 511 HE2 LYS 66 1HE LYS 66 -9.438 11.261 8.947 512 HE3 LYS 66 2HE LYS 66 -10.734 11.067 7.768 513 HZ1 LYS 66 1HZ LYS 66 -12.103 11.033 10.061 514 HZ2 LYS 66 2HZ LYS 66 -11.825 12.432 9.152 515 HZ3 LYS 66 3HZ LYS 66 -10.839 12.077 10.479 516 H GLU 67 H GLU 67 -11.490 6.435 5.381 517 HA GLU 67 HA GLU 67 -11.069 4.173 6.925 518 HB2 GLU 67 1HB GLU 67 -13.228 4.880 5.851 519 HB3 GLU 67 2HB GLU 67 -12.616 4.242 4.332 520 HG2 GLU 67 1HG GLU 67 -13.855 2.475 5.066 521 HG3 GLU 67 2HG GLU 67 -12.275 2.060 5.728 522 H ASN 68 H ASN 68 -10.903 4.175 3.362 523 HA ASN 68 HA ASN 68 -9.833 1.800 2.811 524 HB2 ASN 68 1HB ASN 68 -9.075 4.482 1.670 525 HB3 ASN 68 2HB ASN 68 -8.396 2.987 1.033 526 HD21 ASN 68 1HD2 ASN 68 -9.685 4.350 -0.749 527 HD22 ASN 68 2HD2 ASN 68 -11.259 3.715 -1.072 528 H ASN 69 H ASN 69 -7.992 4.519 4.126 529 HA ASN 69 HA ASN 69 -5.491 3.142 4.113 530 HB2 ASN 69 1HB ASN 69 -6.512 5.729 5.173 531 HB3 ASN 69 2HB ASN 69 -5.040 5.085 5.894 532 HD21 ASN 69 1HD2 ASN 69 -6.486 5.602 2.696 533 HD22 ASN 69 2HD2 ASN 69 -5.031 6.148 1.940 534 H LYS 70 H LYS 70 -7.758 4.030 6.715 535 HA LYS 70 HA LYS 70 -6.452 2.857 8.847 536 HB2 LYS 70 1HB LYS 70 -8.422 4.267 9.124 537 HB3 LYS 70 2HB LYS 70 -9.429 3.048 8.353 538 HG2 LYS 70 1HG LYS 70 -9.794 2.872 10.680 539 HG3 LYS 70 2HG LYS 70 -8.797 1.490 10.217 540 HD2 LYS 70 1HD LYS 70 -6.799 2.940 10.891 541 HD3 LYS 70 2HD LYS 70 -7.982 3.988 11.677 542 HE2 LYS 70 1HE LYS 70 -8.593 2.349 13.213 543 HE3 LYS 70 2HE LYS 70 -7.944 1.043 12.223 544 HZ1 LYS 70 1HZ LYS 70 -6.692 2.301 14.323 545 HZ2 LYS 70 2HZ LYS 70 -5.906 2.885 12.944 546 HZ3 LYS 70 3HZ LYS 70 -5.991 1.219 13.227 547 H LYS 71 H LYS 71 -8.834 1.372 6.666 548 HA LYS 71 HA LYS 71 -9.047 -1.124 7.805 549 HB2 LYS 71 1HB LYS 71 -8.908 -0.576 4.836 550 HB3 LYS 71 2HB LYS 71 -9.682 -1.950 5.615 551 HG2 LYS 71 1HG LYS 71 -11.332 -0.491 6.619 552 HG3 LYS 71 2HG LYS 71 -10.529 0.923 5.932 553 HD2 LYS 71 1HD LYS 71 -12.148 0.612 4.355 554 HD3 LYS 71 2HD LYS 71 -10.891 -0.427 3.680 555 HE2 LYS 71 1HE LYS 71 -13.049 -1.555 3.668 556 HE3 LYS 71 2HE LYS 71 -11.921 -2.369 4.752 557 HZ1 LYS 71 1HZ LYS 71 -13.269 -2.026 6.463 558 HZ2 LYS 71 2HZ LYS 71 -14.447 -1.496 5.371 559 HZ3 LYS 71 3HZ LYS 71 -13.424 -0.376 6.120 560 H ALA 72 H ALA 72 -6.587 0.008 5.510 561 HA ALA 72 HA ALA 72 -5.210 -2.418 5.227 562 HB1 ALA 72 1HB ALA 72 -4.189 -1.159 3.713 563 HB2 ALA 72 2HB ALA 72 -4.841 0.311 4.438 564 HB3 ALA 72 3HB ALA 72 -3.315 -0.356 5.018 565 H TYR 73 H TYR 73 -4.086 0.404 7.100 566 HA TYR 73 HA TYR 73 -2.033 -0.718 8.472 567 HB2 TYR 73 1HB TYR 73 -4.013 1.117 9.820 568 HB3 TYR 73 2HB TYR 73 -2.286 0.979 10.131 569 HD1 TYR 73 1HD TYR 73 -1.181 1.041 7.402 570 HD2 TYR 73 2HD TYR 73 -4.325 3.322 9.138 571 HE1 TYR 73 1HE TYR 73 -0.744 2.854 5.797 572 HE2 TYR 73 2HE TYR 73 -3.898 5.140 7.538 573 HH TYR 73 HH TYR 73 -2.371 5.952 6.039 574 H ASP 74 H ASP 74 -5.445 -1.192 9.060 575 HA ASP 74 HA ASP 74 -5.208 -2.429 11.601 576 HB2 ASP 74 1HB ASP 74 -7.341 -2.275 9.508 577 HB3 ASP 74 2HB ASP 74 -7.510 -3.442 10.817 578 H GLY 75 H GLY 75 -5.329 -3.693 8.292 579 HA2 GLY 75 1HA GLY 75 -5.174 -6.436 9.169 580 HA3 GLY 75 2HA GLY 75 -5.097 -5.863 7.509 581 H PHE 76 H PHE 76 -2.964 -4.316 7.338 582 HA PHE 76 HA PHE 76 -0.810 -6.033 7.172 583 HB2 PHE 76 1HB PHE 76 -0.904 -3.025 7.401 584 HB3 PHE 76 2HB PHE 76 0.590 -3.908 7.105 585 HD1 PHE 76 1HD PHE 76 0.082 -5.856 5.174 586 HD2 PHE 76 2HD PHE 76 -1.707 -2.009 5.519 587 HE1 PHE 76 1HE PHE 76 -0.403 -5.868 2.761 588 HE2 PHE 76 2HE PHE 76 -2.195 -2.015 3.108 589 HZ PHE 76 HZ PHE 76 -1.544 -3.947 1.726 590 H ALA 77 H ALA 77 -1.392 -3.577 9.689 591 HA ALA 77 HA ALA 77 0.827 -4.305 11.281 592 HB1 ALA 77 1HB ALA 77 -0.033 -2.832 12.916 593 HB2 ALA 77 2HB ALA 77 -0.455 -2.128 11.355 594 HB3 ALA 77 3HB ALA 77 -1.677 -2.983 12.295 595 H SER 78 H SER 78 -2.003 -5.956 10.658 596 HA SER 78 HA SER 78 -2.506 -7.082 13.231 597 HB2 SER 78 1HB SER 78 -4.065 -6.943 11.139 598 HB3 SER 78 2HB SER 78 -3.274 -8.447 10.669 599 HG SER 78 HG SER 78 -5.291 -8.231 12.264 600 H ILE 79 H ILE 79 -0.554 -7.996 10.458 601 HA ILE 79 HA ILE 79 0.140 -10.567 11.592 602 HB ILE 79 HB ILE 79 1.771 -10.615 9.627 603 HG12 ILE 79 1HG1 ILE 79 0.100 -8.287 8.675 604 HG13 ILE 79 2HG1 ILE 79 1.709 -8.094 9.361 605 HG21 ILE 79 1HG2 ILE 79 -0.008 -11.139 8.028 606 HG22 ILE 79 2HG2 ILE 79 -0.352 -11.801 9.625 607 HG23 ILE 79 3HG2 ILE 79 -1.181 -10.344 9.078 608 HD11 ILE 79 1HD1 ILE 79 1.890 -10.063 7.352 609 HD12 ILE 79 2HD1 ILE 79 0.969 -8.711 6.692 610 HD13 ILE 79 3HD1 ILE 79 2.577 -8.439 7.363 611 H GLY 80 H GLY 80 1.379 -7.341 11.587 612 HA2 GLY 80 1HA GLY 80 2.963 -7.086 13.569 613 HA3 GLY 80 2HA GLY 80 3.926 -8.293 12.731 614 H ILE 81 H ILE 81 2.179 -5.837 10.984 615 HA ILE 81 HA ILE 81 4.742 -4.723 10.100 616 HB ILE 81 HB ILE 81 1.978 -4.483 8.909 617 HG12 ILE 81 1HG1 ILE 81 4.447 -5.827 7.799 618 HG13 ILE 81 2HG1 ILE 81 3.190 -6.683 8.685 619 HG21 ILE 81 1HG2 ILE 81 2.858 -2.501 8.212 620 HG22 ILE 81 2HG2 ILE 81 4.522 -3.069 8.332 621 HG23 ILE 81 3HG2 ILE 81 3.521 -3.555 6.964 622 HD11 ILE 81 1HD1 ILE 81 2.328 -5.049 6.380 623 HD12 ILE 81 2HD1 ILE 81 3.232 -6.525 6.037 624 HD13 ILE 81 3HD1 ILE 81 1.732 -6.604 6.961 625 H SER 82 H SER 82 5.279 -3.252 11.664 626 HA SER 82 HA SER 82 3.728 -1.580 13.142 627 HB2 SER 82 1HB SER 82 6.454 -1.139 11.936 628 HB3 SER 82 2HB SER 82 5.706 0.065 12.985 629 HG SER 82 HG SER 82 6.538 -1.106 14.521 630 H ARG 83 H ARG 83 2.660 0.326 12.897 631 HA ARG 83 HA ARG 83 2.076 1.140 10.170 632 HB2 ARG 83 1HB ARG 83 0.508 2.764 11.510 633 HB3 ARG 83 2HB ARG 83 0.101 1.060 11.354 634 HG2 ARG 83 1HG ARG 83 1.704 1.933 13.702 635 HG3 ARG 83 2HG ARG 83 -0.026 2.282 13.669 636 HD2 ARG 83 1HD ARG 83 0.913 -0.471 13.013 637 HD3 ARG 83 2HD ARG 83 0.884 0.043 14.699 638 HE ARG 83 HE ARG 83 -1.351 -0.673 13.108 639 HH11 ARG 83 1HH1 ARG 83 -0.338 1.519 15.615 640 HH12 ARG 83 2HH1 ARG 83 -1.926 1.695 16.283 641 HH21 ARG 83 1HH2 ARG 83 -3.447 -0.450 13.979 642 HH22 ARG 83 2HH2 ARG 83 -3.694 0.574 15.353 643 H LEU 84 H LEU 84 2.894 2.878 9.195 644 HA LEU 84 HA LEU 84 4.423 4.790 10.832 645 HB2 LEU 84 1HB LEU 84 4.796 4.173 7.907 646 HB3 LEU 84 2HB LEU 84 5.817 5.199 8.913 647 HG LEU 84 HG LEU 84 5.494 2.220 9.271 648 HD11 LEU 84 1HD1 LEU 84 6.821 3.487 7.223 649 HD12 LEU 84 2HD1 LEU 84 7.143 1.858 7.816 650 HD13 LEU 84 3HD1 LEU 84 8.090 3.218 8.418 651 HD21 LEU 84 1HD2 LEU 84 6.819 2.368 11.075 652 HD22 LEU 84 2HD2 LEU 84 6.292 4.051 11.115 653 HD23 LEU 84 3HD2 LEU 84 7.828 3.624 10.358 654 H LEU 85 H LEU 85 2.226 4.455 8.086 655 HA LEU 85 HA LEU 85 1.829 7.352 8.016 656 HB2 LEU 85 1HB LEU 85 2.172 5.870 5.947 657 HB3 LEU 85 2HB LEU 85 0.509 5.351 6.212 658 HG LEU 85 HG LEU 85 -0.233 7.689 5.953 659 HD11 LEU 85 1HD1 LEU 85 2.050 8.772 4.656 660 HD12 LEU 85 2HD1 LEU 85 2.530 8.227 6.263 661 HD13 LEU 85 3HD1 LEU 85 1.200 9.371 6.081 662 HD21 LEU 85 1HD2 LEU 85 0.087 7.816 3.550 663 HD22 LEU 85 2HD2 LEU 85 -0.213 6.149 4.041 664 HD23 LEU 85 3HD2 LEU 85 1.426 6.672 3.648 665 H GLU 86 H GLU 86 -0.245 8.295 8.186 666 HA GLU 86 HA GLU 86 -2.155 6.655 9.712 667 HB2 GLU 86 1HB GLU 86 -1.823 9.660 9.738 668 HB3 GLU 86 2HB GLU 86 -2.932 8.730 10.737 669 HG2 GLU 86 1HG GLU 86 0.071 8.557 10.831 670 HG3 GLU 86 2HG GLU 86 -0.947 9.433 11.972 671 HA PRO 87 HA PRO 87 -5.128 7.115 6.505 672 HB2 PRO 87 1HB PRO 87 -7.405 6.840 7.957 673 HB3 PRO 87 2HB PRO 87 -6.332 5.485 7.587 674 HG2 PRO 87 1HG PRO 87 -6.534 7.112 10.091 675 HG3 PRO 87 2HG PRO 87 -6.362 5.356 9.908 676 HD2 PRO 87 1HD PRO 87 -4.273 6.971 10.511 677 HD3 PRO 87 2HD PRO 87 -4.089 5.491 9.547 678 H SER 88 H SER 88 -5.789 8.942 9.488 679 HA SER 88 HA SER 88 -7.567 10.798 8.360 680 HB2 SER 88 1HB SER 88 -6.906 12.232 10.349 681 HB3 SER 88 2HB SER 88 -7.492 10.615 10.738 682 HG SER 88 HG SER 88 -5.083 11.732 11.245 683 H ASP 89 H ASP 89 -4.084 11.112 9.045 684 HA ASP 89 HA ASP 89 -3.505 13.605 8.238 685 HB2 ASP 89 1HB ASP 89 -2.054 11.023 7.823 686 HB3 ASP 89 2HB ASP 89 -1.413 12.486 7.080 687 H MET 90 H MET 90 -3.715 10.871 5.954 688 HA MET 90 HA MET 90 -3.290 12.109 3.582 689 HB2 MET 90 1HB MET 90 -5.491 10.103 4.111 690 HB3 MET 90 2HB MET 90 -4.785 10.466 2.542 691 HG2 MET 90 1HG MET 90 -3.108 9.476 4.815 692 HG3 MET 90 2HG MET 90 -3.999 8.370 3.773 693 HE1 MET 90 1HE MET 90 -3.057 7.468 1.549 694 HE2 MET 90 2HE MET 90 -1.301 7.569 1.410 695 HE3 MET 90 3HE MET 90 -2.038 7.059 2.930 696 H VAL 91 H VAL 91 -6.279 12.197 5.465 697 HA VAL 91 HA VAL 91 -7.680 13.774 3.506 698 HB VAL 91 HB VAL 91 -8.492 13.391 6.382 699 HG11 VAL 91 1HG1 VAL 91 -9.720 14.490 3.970 700 HG12 VAL 91 2HG1 VAL 91 -10.735 13.319 4.814 701 HG13 VAL 91 3HG1 VAL 91 -10.129 14.741 5.666 702 HG21 VAL 91 1HG2 VAL 91 -7.938 11.210 5.335 703 HG22 VAL 91 2HG2 VAL 91 -9.644 11.371 5.753 704 HG23 VAL 91 3HG2 VAL 91 -9.126 11.551 4.077 705 H LEU 92 H LEU 92 -6.115 14.361 6.626 706 HA LEU 92 HA LEU 92 -6.851 16.991 7.054 707 HB2 LEU 92 1HB LEU 92 -4.143 15.796 7.619 708 HB3 LEU 92 2HB LEU 92 -4.856 17.204 8.404 709 HG LEU 92 HG LEU 92 -5.993 14.420 8.608 710 HD11 LEU 92 1HD1 LEU 92 -4.677 13.947 10.366 711 HD12 LEU 92 2HD1 LEU 92 -4.662 15.614 10.939 712 HD13 LEU 92 3HD1 LEU 92 -3.589 15.123 9.629 713 HD21 LEU 92 1HD2 LEU 92 -6.948 17.006 9.336 714 HD22 LEU 92 2HD2 LEU 92 -6.626 16.082 10.803 715 HD23 LEU 92 3HD2 LEU 92 -7.712 15.434 9.573 716 H LEU 93 H LEU 93 -4.610 15.678 4.750 717 HA LEU 93 HA LEU 93 -4.058 18.408 3.797 718 HB2 LEU 93 1HB LEU 93 -1.880 17.235 2.911 719 HB3 LEU 93 2HB LEU 93 -1.970 17.896 4.542 720 HG LEU 93 HG LEU 93 -2.511 15.569 5.338 721 HD11 LEU 93 1HD1 LEU 93 -1.389 13.957 3.456 722 HD12 LEU 93 2HD1 LEU 93 -2.301 15.089 2.458 723 HD13 LEU 93 3HD1 LEU 93 -3.122 14.158 3.711 724 HD21 LEU 93 1HD2 LEU 93 -0.222 14.879 5.380 725 HD22 LEU 93 2HD2 LEU 93 -0.262 16.640 5.472 726 HD23 LEU 93 3HD2 LEU 93 0.150 15.845 3.952 727 H ALA 94 H ALA 94 -2.874 17.998 1.458 728 HA ALA 94 HA ALA 94 -4.951 16.655 -0.103 729 HB1 ALA 94 1HB ALA 94 -3.814 17.872 -2.027 730 HB2 ALA 94 2HB ALA 94 -4.639 18.868 -0.827 731 HB3 ALA 94 3HB ALA 94 -2.882 18.720 -0.793 732 H ILE 95 H ILE 95 -1.428 17.073 -0.492 733 HA ILE 95 HA ILE 95 -1.312 14.326 -1.538 734 HB ILE 95 HB ILE 95 0.758 16.496 -1.877 735 HG12 ILE 95 1HG1 ILE 95 -1.206 17.254 -3.014 736 HG13 ILE 95 2HG1 ILE 95 -0.131 16.589 -4.238 737 HG21 ILE 95 1HG2 ILE 95 1.523 14.137 -2.059 738 HG22 ILE 95 2HG2 ILE 95 0.386 13.917 -3.389 739 HG23 ILE 95 3HG2 ILE 95 1.715 15.064 -3.546 740 HD11 ILE 95 1HD1 ILE 95 -1.435 14.532 -4.271 741 HD12 ILE 95 2HD1 ILE 95 -2.507 15.191 -3.035 742 HD13 ILE 95 3HD1 ILE 95 -2.436 15.938 -4.631 743 HA PRO 96 HA PRO 96 0.802 13.199 2.196 744 HB2 PRO 96 1HB PRO 96 1.523 10.703 1.407 745 HB3 PRO 96 2HB PRO 96 -0.124 11.117 1.899 746 HG2 PRO 96 1HG PRO 96 1.022 10.857 -0.855 747 HG3 PRO 96 2HG PRO 96 -0.535 10.281 -0.232 748 HD2 PRO 96 1HD PRO 96 -0.301 12.546 -1.697 749 HD3 PRO 96 2HD PRO 96 -1.522 12.355 -0.423 750 H ASP 97 H ASP 97 2.975 11.946 2.631 751 HA ASP 97 HA ASP 97 5.031 13.394 1.153 752 HB2 ASP 97 1HB ASP 97 5.134 11.801 3.721 753 HB3 ASP 97 2HB ASP 97 6.533 12.582 2.988 754 H LYS 98 H LYS 98 5.711 12.403 -0.637 755 HA LYS 98 HA LYS 98 5.515 9.758 -1.331 756 HB2 LYS 98 1HB LYS 98 6.178 11.538 -2.890 757 HB3 LYS 98 2HB LYS 98 7.738 11.664 -2.089 758 HG2 LYS 98 1HG LYS 98 7.973 9.156 -2.685 759 HG3 LYS 98 2HG LYS 98 6.690 9.492 -3.850 760 HD2 LYS 98 1HD LYS 98 8.019 10.850 -5.128 761 HD3 LYS 98 2HD LYS 98 9.024 11.334 -3.760 762 HE2 LYS 98 1HE LYS 98 9.866 8.921 -3.757 763 HE3 LYS 98 2HE LYS 98 9.119 8.786 -5.348 764 HZ1 LYS 98 1HZ LYS 98 11.110 10.872 -4.656 765 HZ2 LYS 98 2HZ LYS 98 10.528 10.474 -6.193 766 HZ3 LYS 98 3HZ LYS 98 11.523 9.390 -5.360 767 H LEU 99 H LEU 99 8.178 11.334 0.397 768 HA LEU 99 HA LEU 99 9.906 9.135 0.523 769 HB2 LEU 99 1HB LEU 99 9.576 11.320 2.572 770 HB3 LEU 99 2HB LEU 99 10.987 10.285 2.361 771 HG LEU 99 HG LEU 99 10.005 12.371 0.414 772 HD11 LEU 99 1HD1 LEU 99 11.418 13.826 1.346 773 HD12 LEU 99 2HD1 LEU 99 12.683 12.614 1.540 774 HD13 LEU 99 3HD1 LEU 99 11.400 12.749 2.742 775 HD21 LEU 99 1HD2 LEU 99 12.441 11.799 -0.460 776 HD22 LEU 99 2HD2 LEU 99 11.019 10.915 -1.014 777 HD23 LEU 99 3HD2 LEU 99 12.052 10.228 0.241 778 H THR 100 H THR 100 7.452 10.249 2.843 779 HA THR 100 HA THR 100 7.854 8.223 4.747 780 HB THR 100 HB THR 100 5.256 9.661 4.177 781 HG1 THR 100 1HG THR 100 7.346 10.410 5.966 782 HG21 THR 100 1HG2 THR 100 5.004 7.760 5.679 783 HG22 THR 100 2HG2 THR 100 4.832 9.270 6.573 784 HG23 THR 100 3HG2 THR 100 6.332 8.350 6.677 785 H VAL 101 H VAL 101 5.158 8.508 2.421 786 HA VAL 101 HA VAL 101 3.933 6.114 2.753 787 HB VAL 101 HB VAL 101 4.495 7.450 0.102 788 HG11 VAL 101 1HG1 VAL 101 3.270 5.904 -0.939 789 HG12 VAL 101 2HG1 VAL 101 3.475 4.916 0.509 790 HG13 VAL 101 3HG1 VAL 101 2.036 5.919 0.320 791 HG21 VAL 101 1HG2 VAL 101 2.759 8.841 0.489 792 HG22 VAL 101 2HG2 VAL 101 1.845 7.627 1.385 793 HG23 VAL 101 3HG2 VAL 101 3.147 8.513 2.178 794 H MET 102 H MET 102 6.469 6.603 0.286 795 HA MET 102 HA MET 102 6.830 4.039 -0.549 796 HB2 MET 102 1HB MET 102 8.792 6.278 -0.155 797 HB3 MET 102 2HB MET 102 9.328 4.716 -0.763 798 HG2 MET 102 1HG MET 102 7.592 4.947 -2.566 799 HG3 MET 102 2HG MET 102 7.363 6.606 -2.021 800 HE1 MET 102 1HE MET 102 9.683 5.359 -5.275 801 HE2 MET 102 2HE MET 102 10.392 4.330 -4.031 802 HE3 MET 102 3HE MET 102 8.641 4.387 -4.235 803 H THR 103 H THR 103 8.351 5.533 2.292 804 HA THR 103 HA THR 103 9.963 3.449 3.115 805 HB THR 103 HB THR 103 8.392 5.224 4.990 806 HG1 THR 103 1HG THR 103 10.557 6.413 4.772 807 HG21 THR 103 1HG2 THR 103 9.756 3.218 5.850 808 HG22 THR 103 2HG2 THR 103 10.051 4.793 6.586 809 HG23 THR 103 3HG2 THR 103 11.172 4.158 5.383 810 H TYR 104 H TYR 104 6.601 4.071 4.132 811 HA TYR 104 HA TYR 104 6.299 1.783 5.708 812 HB2 TYR 104 1HB TYR 104 4.733 3.681 5.754 813 HB3 TYR 104 2HB TYR 104 4.179 3.264 4.136 814 HD1 TYR 104 2HD TYR 104 4.818 1.188 7.178 815 HD2 TYR 104 1HD TYR 104 2.002 2.503 4.272 816 HE1 TYR 104 2HE TYR 104 3.125 -0.309 8.149 817 HE2 TYR 104 1HE TYR 104 0.301 1.011 5.236 818 HH TYR 104 HH TYR 104 0.687 -1.423 6.844 819 H LEU 105 H LEU 105 5.546 2.316 2.280 820 HA LEU 105 HA LEU 105 4.377 -0.108 1.669 821 HB2 LEU 105 1HB LEU 105 5.972 1.875 0.139 822 HB3 LEU 105 2HB LEU 105 5.670 0.308 -0.608 823 HG LEU 105 HG LEU 105 3.515 2.174 0.380 824 HD11 LEU 105 1HD1 LEU 105 4.633 3.232 -1.455 825 HD12 LEU 105 2HD1 LEU 105 3.108 2.569 -2.040 826 HD13 LEU 105 3HD1 LEU 105 4.622 1.735 -2.388 827 HD21 LEU 105 1HD2 LEU 105 2.959 0.093 -1.623 828 HD22 LEU 105 2HD2 LEU 105 2.000 0.630 -0.243 829 HD23 LEU 105 3HD2 LEU 105 3.337 -0.496 -0.004 830 H TYR 106 H TYR 106 7.834 0.703 1.320 831 HA TYR 106 HA TYR 106 8.877 -1.646 0.486 832 HB2 TYR 106 1HB TYR 106 9.915 0.357 2.466 833 HB3 TYR 106 2HB TYR 106 10.852 -1.085 2.090 834 HD1 TYR 106 2HD TYR 106 10.548 -1.452 -0.742 835 HD2 TYR 106 1HD TYR 106 10.906 2.178 1.448 836 HE1 TYR 106 2HE TYR 106 11.460 -0.344 -2.739 837 HE2 TYR 106 1HE TYR 106 11.819 3.297 -0.543 838 HH TYR 106 HH TYR 106 12.522 3.041 -2.639 839 H GLN 107 H GLN 107 7.942 -0.883 3.815 840 HA GLN 107 HA GLN 107 8.869 -3.155 5.097 841 HB2 GLN 107 1HB GLN 107 6.302 -1.667 5.673 842 HB3 GLN 107 2HB GLN 107 7.148 -2.733 6.787 843 HG2 GLN 107 1HG GLN 107 8.441 -0.287 5.630 844 HG3 GLN 107 2HG GLN 107 7.458 -0.232 7.093 845 HE21 GLN 107 1HE2 GLN 107 10.520 -0.725 5.843 846 HE22 GLN 107 2HE2 GLN 107 11.274 -1.387 7.249 847 H ILE 108 H ILE 108 5.547 -2.653 3.892 848 HA ILE 108 HA ILE 108 4.563 -5.188 4.323 849 HB ILE 108 HB ILE 108 3.919 -3.380 1.991 850 HG12 ILE 108 1HG1 ILE 108 1.865 -3.002 3.611 851 HG13 ILE 108 2HG1 ILE 108 3.023 -3.496 4.842 852 HG21 ILE 108 1HG2 ILE 108 1.862 -5.185 3.058 853 HG22 ILE 108 2HG2 ILE 108 2.244 -4.754 1.391 854 HG23 ILE 108 3HG2 ILE 108 3.198 -5.980 2.225 855 HD11 ILE 108 1HD1 ILE 108 2.663 -0.951 3.787 856 HD12 ILE 108 2HD1 ILE 108 3.972 -1.498 4.836 857 HD13 ILE 108 3HD1 ILE 108 4.173 -1.530 3.085 858 H ARG 109 H ARG 109 5.993 -3.992 1.280 859 HA ARG 109 HA ARG 109 5.928 -6.372 -0.139 860 HB2 ARG 109 1HB ARG 109 6.471 -4.401 -1.328 861 HB3 ARG 109 2HB ARG 109 7.808 -4.023 -0.249 862 HG2 ARG 109 1HG ARG 109 8.920 -6.127 -1.113 863 HG3 ARG 109 2HG ARG 109 7.672 -6.152 -2.361 864 HD2 ARG 109 1HD ARG 109 8.359 -3.798 -2.934 865 HD3 ARG 109 2HD ARG 109 9.735 -4.018 -1.855 866 HE ARG 109 HE ARG 109 9.454 -5.041 -4.502 867 HH11 ARG 109 1HH1 ARG 109 10.867 -5.678 -1.385 868 HH12 ARG 109 2HH1 ARG 109 12.151 -6.653 -2.021 869 HH21 ARG 109 1HH2 ARG 109 11.139 -6.322 -5.352 870 HH22 ARG 109 2HH2 ARG 109 12.305 -7.018 -4.278 871 H ALA 110 H ALA 110 8.213 -5.262 2.278 872 HA ALA 110 HA ALA 110 10.176 -7.268 1.815 873 HB1 ALA 110 1HB ALA 110 11.270 -5.792 3.072 874 HB2 ALA 110 2HB ALA 110 9.770 -5.077 3.664 875 HB3 ALA 110 3HB ALA 110 10.446 -6.496 4.464 876 H HIS 111 H HIS 111 7.528 -6.948 4.162 877 HA HIS 111 HA HIS 111 7.944 -9.183 5.704 878 HB2 HIS 111 1HB HIS 111 6.186 -7.677 6.289 879 HB3 HIS 111 2HB HIS 111 5.361 -7.941 4.755 880 HD1 HIS 111 1HD HIS 111 5.677 -9.272 8.181 881 HD2 HIS 111 2HD HIS 111 4.017 -10.462 4.563 882 HE1 HIS 111 1HE HIS 111 4.134 -11.177 8.743 883 HE2 HIS 111 2HE HIS 111 3.206 -11.936 6.528 884 H PHE 112 H PHE 112 5.763 -9.091 2.879 885 HA PHE 112 HA PHE 112 5.390 -11.865 2.733 886 HB2 PHE 112 1HB PHE 112 5.176 -9.770 0.561 887 HB3 PHE 112 2HB PHE 112 4.587 -11.423 0.417 888 HD1 PHE 112 1HD PHE 112 3.034 -12.134 2.502 889 HD2 PHE 112 2HD PHE 112 3.621 -8.173 1.059 890 HE1 PHE 112 1HE PHE 112 0.889 -11.457 3.499 891 HE2 PHE 112 2HE PHE 112 1.478 -7.489 2.054 892 HZ PHE 112 HZ PHE 112 0.109 -9.131 3.277 893 H SER 113 H SER 113 7.674 -9.739 1.050 894 HA SER 113 HA SER 113 9.116 -12.139 0.130 895 HB2 SER 113 1HB SER 113 8.433 -10.948 -1.800 896 HB3 SER 113 2HB SER 113 8.851 -9.391 -1.086 897 HG SER 113 HG SER 113 10.383 -10.251 -2.658 898 H SER 114 H SER 114 10.470 -12.446 1.858 899 HA SER 114 HA SER 114 11.747 -10.684 3.471 900 HB2 SER 114 1HB SER 114 11.909 -13.213 3.525 901 HB3 SER 114 2HB SER 114 13.172 -13.080 2.302 902 HG SER 114 HG SER 114 13.410 -11.519 4.604 903 H GLY 115 H GLY 115 13.817 -9.673 3.505 904 HA2 GLY 115 1HA GLY 115 15.611 -9.563 1.364 905 HA3 GLY 115 2HA GLY 115 14.446 -8.267 1.141 906 HA PRO 116 HA PRO 116 16.844 -5.698 3.760 907 HB2 PRO 116 1HB PRO 116 14.921 -4.071 4.773 908 HB3 PRO 116 2HB PRO 116 15.483 -3.969 3.100 909 HG2 PRO 116 1HG PRO 116 13.038 -5.301 4.198 910 HG3 PRO 116 2HG PRO 116 13.209 -4.301 2.744 911 HD2 PRO 116 1HD PRO 116 13.122 -7.006 2.650 912 HD3 PRO 116 2HD PRO 116 14.064 -6.040 1.496 913 H SER 117 H SER 117 17.636 -5.780 5.784 914 HA SER 117 HA SER 117 15.913 -6.870 7.910 915 HB2 SER 117 1HB SER 117 17.636 -8.507 7.009 916 HB3 SER 117 2HB SER 117 18.871 -7.438 7.675 917 HG SER 117 HG SER 117 18.128 -9.228 9.054 918 H SER 118 H SER 118 15.505 -4.716 8.590 919 HA SER 118 HA SER 118 17.693 -3.016 9.383 920 HB2 SER 118 1HB SER 118 14.705 -2.813 9.453 921 HB3 SER 118 2HB SER 118 15.668 -1.711 10.438 922 HG SER 118 HG SER 118 15.818 -0.609 8.656 923 H GLY 119 H GLY 119 18.440 -2.614 11.419 924 HA2 GLY 119 1HA GLY 119 18.506 -2.724 13.755 925 HA3 GLY 119 2HA GLY 119 17.098 -3.776 13.723 Start of MODEL 2 1 H1 GLY 1 H GLY 1 0.488 -6.261 -17.205 2 HA2 GLY 1 1HA GLY 1 1.172 -8.678 -17.911 3 HA3 GLY 1 2HA GLY 1 2.034 -7.801 -19.167 4 H SER 2 H SER 2 2.807 -9.480 -16.711 5 HA SER 2 HA SER 2 4.734 -7.541 -15.609 6 HB2 SER 2 1HB SER 2 3.227 -9.775 -14.274 7 HB3 SER 2 2HB SER 2 4.755 -9.198 -13.610 8 HG SER 2 HG SER 2 2.322 -8.114 -13.389 9 H SER 3 H SER 3 6.608 -7.913 -16.609 10 HA SER 3 HA SER 3 7.506 -10.052 -17.984 11 HB2 SER 3 1HB SER 3 8.666 -7.767 -17.381 12 HB3 SER 3 2HB SER 3 9.466 -8.733 -16.142 13 HG SER 3 HG SER 3 9.847 -8.696 -18.852 14 H GLY 4 H GLY 4 8.206 -9.575 -14.513 15 HA2 GLY 4 1HA GLY 4 7.582 -12.036 -13.543 16 HA3 GLY 4 2HA GLY 4 9.176 -12.275 -14.244 17 H SER 5 H SER 5 9.942 -12.779 -12.124 18 HA SER 5 HA SER 5 10.106 -10.489 -10.291 19 HB2 SER 5 1HB SER 5 10.475 -13.455 -9.849 20 HB3 SER 5 2HB SER 5 10.886 -12.246 -8.633 21 HG SER 5 HG SER 5 8.851 -12.093 -8.165 22 H SER 6 H SER 6 11.807 -9.309 -11.031 23 HA SER 6 HA SER 6 14.307 -10.617 -11.721 24 HB2 SER 6 1HB SER 6 13.223 -7.841 -11.954 25 HB3 SER 6 2HB SER 6 14.973 -8.064 -11.951 26 HG SER 6 HG SER 6 14.510 -8.306 -14.033 27 H GLY 7 H GLY 7 13.141 -8.257 -9.328 28 HA2 GLY 7 1HA GLY 7 14.084 -8.943 -7.022 29 HA3 GLY 7 2HA GLY 7 15.630 -8.654 -7.808 30 HA PRO 8 HA PRO 8 14.305 -4.724 -5.741 31 HB2 PRO 8 1HB PRO 8 16.731 -4.217 -4.632 32 HB3 PRO 8 2HB PRO 8 15.511 -5.230 -3.852 33 HG2 PRO 8 1HG PRO 8 17.912 -6.043 -5.443 34 HG3 PRO 8 2HG PRO 8 17.290 -6.725 -3.929 35 HD2 PRO 8 1HD PRO 8 16.849 -7.882 -6.337 36 HD3 PRO 8 2HD PRO 8 15.678 -7.972 -5.005 37 H ASN 9 H ASN 9 14.130 -3.746 -7.800 38 HA ASN 9 HA ASN 9 16.595 -2.885 -9.107 39 HB2 ASN 9 1HB ASN 9 13.699 -2.919 -9.912 40 HB3 ASN 9 2HB ASN 9 14.860 -1.928 -10.789 41 HD21 ASN 9 1HD2 ASN 9 13.276 -4.635 -11.092 42 HD22 ASN 9 2HD2 ASN 9 14.442 -5.640 -11.876 43 H ALA 10 H ALA 10 16.834 -0.638 -9.787 44 HA ALA 10 HA ALA 10 16.766 1.180 -7.731 45 HB1 ALA 10 1HB ALA 10 17.832 1.230 -10.165 46 HB2 ALA 10 2HB ALA 10 16.444 2.277 -10.466 47 HB3 ALA 10 3HB ALA 10 17.605 2.693 -9.205 48 H SER 11 H SER 11 14.828 1.280 -6.632 49 HA SER 11 HA SER 11 12.596 1.696 -6.250 50 HB2 SER 11 1HB SER 11 13.750 4.083 -7.637 51 HB3 SER 11 2HB SER 11 12.026 4.068 -7.264 52 HG SER 11 HG SER 11 12.977 4.924 -5.493 53 H GLN 12 H GLN 12 12.813 -0.084 -8.354 54 HA GLN 12 HA GLN 12 10.633 0.804 -10.125 55 HB2 GLN 12 1HB GLN 12 12.688 0.616 -11.408 56 HB3 GLN 12 2HB GLN 12 12.958 -1.008 -10.792 57 HG2 GLN 12 1HG GLN 12 10.678 -1.548 -11.872 58 HG3 GLN 12 2HG GLN 12 10.937 -0.056 -12.775 59 HE21 GLN 12 1HE2 GLN 12 10.801 -2.818 -13.710 60 HE22 GLN 12 2HE2 GLN 12 12.292 -3.118 -14.529 61 H SER 13 H SER 13 12.052 -1.793 -8.254 62 HA SER 13 HA SER 13 10.248 -3.836 -8.963 63 HB2 SER 13 1HB SER 13 10.957 -4.845 -6.740 64 HB3 SER 13 2HB SER 13 12.266 -4.467 -7.860 65 HG SER 13 HG SER 13 11.436 -2.964 -5.603 66 H LEU 14 H LEU 14 10.167 -1.377 -6.429 67 HA LEU 14 HA LEU 14 7.956 -2.282 -4.999 68 HB2 LEU 14 1HB LEU 14 9.556 -0.366 -4.470 69 HB3 LEU 14 2HB LEU 14 8.532 0.622 -5.509 70 HG LEU 14 HG LEU 14 6.655 0.317 -4.023 71 HD11 LEU 14 1HD1 LEU 14 8.483 -1.627 -2.668 72 HD12 LEU 14 2HD1 LEU 14 6.807 -1.836 -3.176 73 HD13 LEU 14 3HD1 LEU 14 7.185 -0.833 -1.775 74 HD21 LEU 14 1HD2 LEU 14 9.166 1.507 -3.211 75 HD22 LEU 14 2HD2 LEU 14 8.187 1.030 -1.823 76 HD23 LEU 14 3HD2 LEU 14 7.520 2.118 -3.042 77 H LEU 15 H LEU 15 7.959 0.283 -7.484 78 HA LEU 15 HA LEU 15 5.216 0.572 -7.717 79 HB2 LEU 15 1HB LEU 15 7.180 1.898 -8.777 80 HB3 LEU 15 2HB LEU 15 6.994 0.767 -10.116 81 HG LEU 15 HG LEU 15 4.474 1.572 -9.968 82 HD11 LEU 15 1HD1 LEU 15 5.971 4.005 -9.014 83 HD12 LEU 15 2HD1 LEU 15 4.959 2.997 -7.979 84 HD13 LEU 15 3HD1 LEU 15 4.243 3.863 -9.338 85 HD21 LEU 15 1HD2 LEU 15 6.063 3.645 -11.259 86 HD22 LEU 15 2HD2 LEU 15 4.930 2.485 -11.954 87 HD23 LEU 15 3HD2 LEU 15 6.602 2.011 -11.649 88 H VAL 16 H VAL 16 7.220 -2.008 -8.766 89 HA VAL 16 HA VAL 16 5.259 -3.022 -10.667 90 HB VAL 16 HB VAL 16 7.873 -4.252 -9.781 91 HG11 VAL 16 1HG1 VAL 16 5.836 -4.987 -11.847 92 HG12 VAL 16 2HG1 VAL 16 7.532 -5.421 -12.067 93 HG13 VAL 16 3HG1 VAL 16 6.645 -6.011 -10.661 94 HG21 VAL 16 1HG2 VAL 16 7.640 -3.143 -12.488 95 HG22 VAL 16 2HG2 VAL 16 7.605 -1.945 -11.195 96 HG23 VAL 16 3HG2 VAL 16 8.970 -3.052 -11.334 97 H TRP 17 H TRP 17 6.431 -3.638 -7.429 98 HA TRP 17 HA TRP 17 5.282 -6.192 -7.073 99 HB2 TRP 17 1HB TRP 17 7.034 -5.183 -5.601 100 HB3 TRP 17 2HB TRP 17 5.804 -4.104 -4.948 101 HD1 TRP 17 HD TRP 17 6.820 -7.809 -4.968 102 HE1 TRP 17 1HE TRP 17 5.693 -8.972 -2.968 103 HE3 TRP 17 3HE TRP 17 3.854 -3.968 -3.362 104 HZ2 TRP 17 2HZ TRP 17 3.797 -8.344 -0.973 105 HZ3 TRP 17 3HZ TRP 17 2.412 -4.331 -1.401 106 HH2 TRP 17 HH TRP 17 2.386 -6.475 -0.233 107 H CYS 18 H CYS 18 4.091 -2.930 -6.343 108 HA CYS 18 HA CYS 18 1.617 -3.831 -5.251 109 HB2 CYS 18 1HB CYS 18 0.949 -1.412 -5.526 110 HB3 CYS 18 2HB CYS 18 2.400 -1.683 -4.568 111 HG CYS 18 HG CYS 18 3.561 -1.316 -7.510 112 H LYS 19 H LYS 19 2.738 -2.982 -8.447 113 HA LYS 19 HA LYS 19 0.095 -2.896 -9.595 114 HB2 LYS 19 1HB LYS 19 2.850 -2.905 -10.834 115 HB3 LYS 19 2HB LYS 19 1.362 -2.791 -11.765 116 HG2 LYS 19 1HG LYS 19 0.818 -0.690 -10.781 117 HG3 LYS 19 2HG LYS 19 2.136 -0.834 -9.616 118 HD2 LYS 19 1HD LYS 19 3.095 0.557 -11.170 119 HD3 LYS 19 2HD LYS 19 3.606 -1.016 -11.786 120 HE2 LYS 19 1HE LYS 19 1.308 -0.828 -13.095 121 HE3 LYS 19 2HE LYS 19 1.598 0.895 -12.861 122 HZ1 LYS 19 1HZ LYS 19 2.503 -0.037 -14.965 123 HZ2 LYS 19 2HZ LYS 19 3.589 -0.954 -14.050 124 HZ3 LYS 19 3HZ LYS 19 3.659 0.735 -14.001 125 H GLU 20 H GLU 20 2.628 -5.253 -9.159 126 HA GLU 20 HA GLU 20 1.688 -7.147 -11.054 127 HB2 GLU 20 1HB GLU 20 3.991 -7.130 -10.113 128 HB3 GLU 20 2HB GLU 20 3.331 -7.641 -8.566 129 HG2 GLU 20 1HG GLU 20 2.469 -9.686 -9.662 130 HG3 GLU 20 2HG GLU 20 3.275 -9.184 -11.147 131 H VAL 21 H VAL 21 1.311 -6.894 -7.525 132 HA VAL 21 HA VAL 21 -0.372 -9.162 -7.282 133 HB VAL 21 HB VAL 21 -0.750 -8.505 -5.035 134 HG11 VAL 21 1HG1 VAL 21 1.763 -7.400 -4.671 135 HG12 VAL 21 2HG1 VAL 21 1.368 -9.119 -4.709 136 HG13 VAL 21 3HG1 VAL 21 1.906 -8.304 -6.178 137 HG21 VAL 21 1HG2 VAL 21 -1.475 -6.331 -4.995 138 HG22 VAL 21 2HG2 VAL 21 0.163 -6.126 -4.375 139 HG23 VAL 21 3HG2 VAL 21 -0.191 -5.766 -6.065 140 H THR 22 H THR 22 -0.939 -5.860 -8.147 141 HA THR 22 HA THR 22 -3.846 -6.267 -7.951 142 HB THR 22 HB THR 22 -4.112 -3.871 -8.023 143 HG1 THR 22 1HG THR 22 -1.399 -3.951 -8.743 144 HG21 THR 22 1HG2 THR 22 -3.600 -4.861 -5.835 145 HG22 THR 22 2HG2 THR 22 -2.966 -3.221 -5.965 146 HG23 THR 22 3HG2 THR 22 -1.880 -4.601 -6.123 147 H LYS 23 H LYS 23 -1.923 -7.184 -10.095 148 HA LYS 23 HA LYS 23 -2.288 -5.664 -12.428 149 HB2 LYS 23 1HB LYS 23 -1.570 -7.634 -13.636 150 HB3 LYS 23 2HB LYS 23 -0.602 -7.461 -12.178 151 HG2 LYS 23 1HG LYS 23 -2.335 -9.090 -11.142 152 HG3 LYS 23 2HG LYS 23 -2.705 -9.479 -12.824 153 HD2 LYS 23 1HD LYS 23 -0.604 -10.366 -13.217 154 HD3 LYS 23 2HD LYS 23 0.135 -9.468 -11.889 155 HE2 LYS 23 1HE LYS 23 -1.961 -11.493 -11.269 156 HE3 LYS 23 2HE LYS 23 -0.343 -12.050 -11.693 157 HZ1 LYS 23 1HZ LYS 23 -0.717 -11.732 -9.276 158 HZ2 LYS 23 2HZ LYS 23 -0.897 -10.073 -9.551 159 HZ3 LYS 23 3HZ LYS 23 0.578 -10.830 -9.887 160 H ASN 24 H ASN 24 -4.259 -8.143 -10.909 161 HA ASN 24 HA ASN 24 -6.232 -7.886 -13.072 162 HB2 ASN 24 1HB ASN 24 -5.790 -10.025 -10.990 163 HB3 ASN 24 2HB ASN 24 -7.247 -9.951 -11.976 164 HD21 ASN 24 1HD2 ASN 24 -6.324 -9.264 -14.410 165 HD22 ASN 24 2HD2 ASN 24 -5.264 -10.483 -15.022 166 H TYR 25 H TYR 25 -6.138 -5.727 -11.438 167 HA TYR 25 HA TYR 25 -8.511 -6.059 -9.722 168 HB2 TYR 25 1HB TYR 25 -6.017 -4.442 -9.341 169 HB3 TYR 25 2HB TYR 25 -7.525 -3.898 -8.613 170 HD1 TYR 25 2HD TYR 25 -5.791 -7.197 -8.982 171 HD2 TYR 25 1HD TYR 25 -7.671 -4.408 -6.377 172 HE1 TYR 25 2HE TYR 25 -5.423 -8.725 -7.091 173 HE2 TYR 25 1HE TYR 25 -7.307 -5.928 -4.477 174 HH TYR 25 HH TYR 25 -6.720 -8.028 -3.886 175 H ARG 26 H ARG 26 -9.449 -3.686 -9.306 176 HA ARG 26 HA ARG 26 -9.725 -2.404 -11.946 177 HB2 ARG 26 1HB ARG 26 -11.882 -2.794 -9.862 178 HB3 ARG 26 2HB ARG 26 -12.075 -1.944 -11.389 179 HG2 ARG 26 1HG ARG 26 -12.947 -3.977 -11.938 180 HG3 ARG 26 2HG ARG 26 -11.261 -4.228 -12.396 181 HD2 ARG 26 1HD ARG 26 -10.810 -5.471 -10.447 182 HD3 ARG 26 2HD ARG 26 -12.300 -4.939 -9.669 183 HE ARG 26 HE ARG 26 -12.921 -6.354 -12.021 184 HH11 ARG 26 1HH1 ARG 26 -11.681 -6.865 -8.808 185 HH12 ARG 26 2HH1 ARG 26 -12.265 -8.493 -8.700 186 HH21 ARG 26 1HH2 ARG 26 -13.695 -8.496 -11.891 187 HH22 ARG 26 2HH2 ARG 26 -13.410 -9.420 -10.455 188 H GLY 27 H GLY 27 -9.258 -0.303 -12.000 189 HA2 GLY 27 1HA GLY 27 -8.990 1.884 -11.320 190 HA3 GLY 27 2HA GLY 27 -9.875 1.484 -9.855 191 H VAL 28 H VAL 28 -6.979 -0.196 -10.896 192 HA VAL 28 HA VAL 28 -5.541 1.011 -8.621 193 HB VAL 28 HB VAL 28 -5.245 -1.797 -9.696 194 HG11 VAL 28 1HG1 VAL 28 -3.148 -1.400 -8.888 195 HG12 VAL 28 2HG1 VAL 28 -3.702 -0.185 -7.734 196 HG13 VAL 28 3HG1 VAL 28 -3.945 -1.899 -7.396 197 HG21 VAL 28 1HG2 VAL 28 -6.492 -0.756 -7.156 198 HG22 VAL 28 2HG2 VAL 28 -7.311 -1.586 -8.479 199 HG23 VAL 28 3HG2 VAL 28 -6.148 -2.455 -7.478 200 H LYS 29 H LYS 29 -4.594 2.616 -9.920 201 HA LYS 29 HA LYS 29 -2.578 1.613 -11.824 202 HB2 LYS 29 1HB LYS 29 -4.291 2.884 -12.991 203 HB3 LYS 29 2HB LYS 29 -4.094 4.228 -11.874 204 HG2 LYS 29 1HG LYS 29 -1.871 4.649 -12.698 205 HG3 LYS 29 2HG LYS 29 -1.948 3.219 -13.730 206 HD2 LYS 29 1HD LYS 29 -2.419 4.987 -15.182 207 HD3 LYS 29 2HD LYS 29 -4.010 4.337 -14.780 208 HE2 LYS 29 1HE LYS 29 -3.974 6.114 -12.889 209 HE3 LYS 29 2HE LYS 29 -2.707 6.869 -13.855 210 HZ1 LYS 29 1HZ LYS 29 -4.521 7.876 -14.738 211 HZ2 LYS 29 2HZ LYS 29 -5.558 6.576 -14.430 212 HZ3 LYS 29 3HZ LYS 29 -4.489 6.513 -15.739 213 H ILE 30 H ILE 30 -1.026 1.425 -10.153 214 HA ILE 30 HA ILE 30 -0.333 3.575 -8.436 215 HB ILE 30 HB ILE 30 1.289 1.165 -9.261 216 HG12 ILE 30 1HG1 ILE 30 0.605 0.642 -6.745 217 HG13 ILE 30 2HG1 ILE 30 -0.748 1.694 -7.147 218 HG21 ILE 30 1HG2 ILE 30 2.062 2.092 -6.722 219 HG22 ILE 30 2HG2 ILE 30 3.007 2.095 -8.211 220 HG23 ILE 30 3HG2 ILE 30 2.031 3.500 -7.784 221 HD11 ILE 30 1HD1 ILE 30 -0.461 -1.040 -7.690 222 HD12 ILE 30 2HD1 ILE 30 -1.765 0.037 -8.191 223 HD13 ILE 30 3HD1 ILE 30 -0.371 -0.208 -9.242 224 H THR 31 H THR 31 -0.302 5.253 -10.147 225 HA THR 31 HA THR 31 1.928 5.265 -11.977 226 HB THR 31 HB THR 31 -0.255 6.323 -12.548 227 HG1 THR 31 1HG THR 31 2.211 7.643 -12.652 228 HG21 THR 31 1HG2 THR 31 -0.679 7.283 -10.288 229 HG22 THR 31 2HG2 THR 31 -0.867 8.451 -11.596 230 HG23 THR 31 3HG2 THR 31 0.587 8.470 -10.599 231 H ASN 32 H ASN 32 1.164 6.594 -8.839 232 HA ASN 32 HA ASN 32 3.919 7.579 -8.641 233 HB2 ASN 32 1HB ASN 32 1.540 9.143 -7.623 234 HB3 ASN 32 2HB ASN 32 3.229 9.642 -7.599 235 HD21 ASN 32 1HD2 ASN 32 0.758 10.780 -8.845 236 HD22 ASN 32 2HD2 ASN 32 1.183 11.033 -10.501 237 H PHE 33 H PHE 33 4.182 8.369 -6.182 238 HA PHE 33 HA PHE 33 3.131 6.177 -4.516 239 HB2 PHE 33 1HB PHE 33 5.852 7.431 -4.652 240 HB3 PHE 33 2HB PHE 33 5.303 6.686 -3.155 241 HD1 PHE 33 2HD PHE 33 4.161 4.272 -3.599 242 HD2 PHE 33 1HD PHE 33 7.137 6.124 -6.014 243 HE1 PHE 33 2HE PHE 33 4.839 2.066 -4.450 244 HE2 PHE 33 1HE PHE 33 7.819 3.921 -6.870 245 HZ PHE 33 HZ PHE 33 6.670 1.887 -6.087 246 H THR 34 H THR 34 2.091 8.933 -4.997 247 HA THR 34 HA THR 34 2.106 9.841 -2.193 248 HB THR 34 HB THR 34 1.680 12.154 -3.080 249 HG1 THR 34 1HG THR 34 2.540 10.986 -5.537 250 HG21 THR 34 1HG2 THR 34 3.858 12.505 -2.751 251 HG22 THR 34 2HG2 THR 34 4.267 11.696 -4.264 252 HG23 THR 34 3HG2 THR 34 4.089 10.757 -2.782 253 H THR 35 H THR 35 0.239 10.680 -5.107 254 HA THR 35 HA THR 35 -2.208 10.789 -3.626 255 HB THR 35 HB THR 35 -3.279 11.205 -5.815 256 HG1 THR 35 1HG THR 35 -2.276 10.484 -7.524 257 HG21 THR 35 1HG2 THR 35 -0.965 12.757 -4.814 258 HG22 THR 35 2HG2 THR 35 -2.647 13.242 -5.031 259 HG23 THR 35 3HG2 THR 35 -1.561 13.178 -6.419 260 H SER 36 H SER 36 -0.907 8.611 -6.118 261 HA SER 36 HA SER 36 -2.992 6.911 -6.524 262 HB2 SER 36 1HB SER 36 -1.094 6.422 -7.787 263 HB3 SER 36 2HB SER 36 -0.032 6.433 -6.379 264 HG SER 36 HG SER 36 -0.318 4.364 -6.307 265 H TRP 37 H TRP 37 -1.206 7.334 -3.611 266 HA TRP 37 HA TRP 37 -2.516 4.976 -2.429 267 HB2 TRP 37 1HB TRP 37 -0.125 6.490 -1.362 268 HB3 TRP 37 2HB TRP 37 -0.786 4.984 -0.732 269 HD1 TRP 37 HD TRP 37 1.278 6.356 -3.654 270 HE1 TRP 37 1HE TRP 37 2.483 4.391 -4.800 271 HE3 TRP 37 3HE TRP 37 -0.919 2.482 -1.144 272 HZ2 TRP 37 2HZ TRP 37 2.499 1.572 -4.659 273 HZ3 TRP 37 3HZ TRP 37 -0.253 0.182 -1.710 274 HH2 TRP 37 HH TRP 37 1.420 -0.262 -3.432 275 H ARG 38 H ARG 38 -2.208 8.419 -2.311 276 HA ARG 38 HA ARG 38 -2.902 9.225 0.151 277 HB2 ARG 38 1HB ARG 38 -2.714 10.850 -1.580 278 HB3 ARG 38 2HB ARG 38 -4.048 10.142 -2.481 279 HG2 ARG 38 1HG ARG 38 -5.621 10.868 -0.798 280 HG3 ARG 38 2HG ARG 38 -4.304 11.489 0.199 281 HD2 ARG 38 1HD ARG 38 -5.295 13.334 -0.954 282 HD3 ARG 38 2HD ARG 38 -3.713 13.030 -1.669 283 HE ARG 38 HE ARG 38 -5.618 11.614 -3.140 284 HH11 ARG 38 1HH1 ARG 38 -4.728 14.908 -2.450 285 HH12 ARG 38 2HH1 ARG 38 -5.309 15.519 -3.964 286 HH21 ARG 38 1HH2 ARG 38 -6.386 12.406 -5.136 287 HH22 ARG 38 2HH2 ARG 38 -6.252 14.096 -5.491 288 H ASN 39 H ASN 39 -5.218 7.944 -2.224 289 HA ASN 39 HA ASN 39 -7.471 8.108 -0.518 290 HB2 ASN 39 1HB ASN 39 -8.355 6.307 -2.195 291 HB3 ASN 39 2HB ASN 39 -8.049 7.946 -2.762 292 HD21 ASN 39 1HD2 ASN 39 -7.917 6.969 -4.867 293 HD22 ASN 39 2HD2 ASN 39 -6.440 6.233 -5.379 294 H GLY 40 H GLY 40 -5.284 5.431 -1.347 295 HA2 GLY 40 1HA GLY 40 -4.597 3.867 0.354 296 HA3 GLY 40 2HA GLY 40 -6.160 4.090 1.126 297 H LEU 41 H LEU 41 -5.837 3.666 -2.325 298 HA LEU 41 HA LEU 41 -7.565 1.370 -2.241 299 HB2 LEU 41 1HB LEU 41 -6.184 2.822 -4.485 300 HB3 LEU 41 2HB LEU 41 -7.197 1.402 -4.739 301 HG LEU 41 HG LEU 41 -8.094 4.060 -3.625 302 HD11 LEU 41 1HD1 LEU 41 -7.686 4.199 -5.988 303 HD12 LEU 41 2HD1 LEU 41 -9.427 4.143 -5.711 304 HD13 LEU 41 3HD1 LEU 41 -8.577 2.703 -6.272 305 HD21 LEU 41 1HD2 LEU 41 -9.387 2.371 -2.570 306 HD22 LEU 41 2HD2 LEU 41 -9.562 1.470 -4.076 307 HD23 LEU 41 3HD2 LEU 41 -10.372 3.025 -3.879 308 H SER 42 H SER 42 -4.338 1.890 -3.678 309 HA SER 42 HA SER 42 -3.718 -0.733 -4.242 310 HB2 SER 42 1HB SER 42 -1.873 1.494 -3.351 311 HB3 SER 42 2HB SER 42 -1.322 -0.033 -4.039 312 HG SER 42 HG SER 42 -2.780 2.043 -5.268 313 H PHE 43 H PHE 43 -3.603 0.937 -1.171 314 HA PHE 43 HA PHE 43 -2.064 -0.943 0.257 315 HB2 PHE 43 1HB PHE 43 -3.987 1.220 1.011 316 HB3 PHE 43 2HB PHE 43 -3.468 0.075 2.244 317 HD1 PHE 43 2HD PHE 43 -0.720 -0.383 1.843 318 HD2 PHE 43 1HD PHE 43 -2.900 3.220 1.223 319 HE1 PHE 43 2HE PHE 43 1.340 0.919 2.184 320 HE2 PHE 43 1HE PHE 43 -0.843 4.527 1.562 321 HZ PHE 43 HZ PHE 43 1.280 3.377 2.044 322 H CYS 44 H CYS 44 -5.572 -0.592 -0.152 323 HA CYS 44 HA CYS 44 -6.182 -2.895 1.433 324 HB2 CYS 44 1HB CYS 44 -7.778 -1.094 -0.367 325 HB3 CYS 44 2HB CYS 44 -8.482 -2.576 0.269 326 HG CYS 44 HG CYS 44 -7.716 0.292 1.877 327 H ALA 45 H ALA 45 -5.795 -2.237 -2.001 328 HA ALA 45 HA ALA 45 -6.817 -4.639 -3.016 329 HB1 ALA 45 1HB ALA 45 -6.055 -3.938 -5.037 330 HB2 ALA 45 2HB ALA 45 -5.930 -2.409 -4.166 331 HB3 ALA 45 3HB ALA 45 -4.498 -3.413 -4.394 332 H ILE 46 H ILE 46 -3.497 -3.763 -2.091 333 HA ILE 46 HA ILE 46 -2.248 -6.152 -2.800 334 HB ILE 46 HB ILE 46 -1.582 -4.188 -0.611 335 HG12 ILE 46 1HG1 ILE 46 0.031 -4.603 -3.089 336 HG13 ILE 46 2HG1 ILE 46 -1.489 -3.725 -3.221 337 HG21 ILE 46 1HG2 ILE 46 0.145 -6.427 -1.656 338 HG22 ILE 46 2HG2 ILE 46 0.586 -5.239 -0.432 339 HG23 ILE 46 3HG2 ILE 46 -0.675 -6.425 -0.095 340 HD11 ILE 46 1HD1 ILE 46 -0.665 -2.192 -1.438 341 HD12 ILE 46 2HD1 ILE 46 0.895 -3.008 -1.539 342 HD13 ILE 46 3HD1 ILE 46 0.260 -2.143 -2.939 343 H LEU 47 H LEU 47 -3.312 -5.174 0.465 344 HA LEU 47 HA LEU 47 -2.861 -7.630 1.705 345 HB2 LEU 47 1HB LEU 47 -3.272 -5.534 2.906 346 HB3 LEU 47 2HB LEU 47 -4.950 -5.559 2.367 347 HG LEU 47 HG LEU 47 -5.165 -7.754 3.634 348 HD11 LEU 47 1HD1 LEU 47 -2.397 -7.346 3.963 349 HD12 LEU 47 2HD1 LEU 47 -3.396 -8.633 4.636 350 HD13 LEU 47 3HD1 LEU 47 -3.139 -7.147 5.550 351 HD21 LEU 47 1HD2 LEU 47 -5.800 -6.650 5.580 352 HD22 LEU 47 2HD2 LEU 47 -5.894 -5.389 4.351 353 HD23 LEU 47 3HD2 LEU 47 -4.510 -5.456 5.442 354 H HIS 48 H HIS 48 -5.438 -6.587 -0.357 355 HA HIS 48 HA HIS 48 -7.240 -8.711 0.399 356 HB2 HIS 48 1HB HIS 48 -8.044 -6.498 -0.419 357 HB3 HIS 48 2HB HIS 48 -7.366 -6.873 -2.000 358 HD1 HIS 48 1HD HIS 48 -8.497 -8.921 -3.282 359 HD2 HIS 48 2HD HIS 48 -10.544 -7.517 0.049 360 HE1 HIS 48 1HE HIS 48 -10.824 -9.856 -3.479 361 HE2 HIS 48 2HE HIS 48 -12.067 -8.923 -1.498 362 H HIS 49 H HIS 49 -4.633 -8.289 -1.793 363 HA HIS 49 HA HIS 49 -5.352 -10.196 -3.752 364 HB2 HIS 49 1HB HIS 49 -3.560 -8.467 -4.010 365 HB3 HIS 49 2HB HIS 49 -2.559 -9.404 -2.904 366 HD1 HIS 49 1HD HIS 49 -4.627 -10.606 -5.861 367 HD2 HIS 49 2HD HIS 49 -0.694 -10.515 -4.525 368 HE1 HIS 49 1HE HIS 49 -3.311 -11.917 -7.556 369 HE2 HIS 49 2HE HIS 49 -0.949 -11.920 -6.681 370 H PHE 50 H PHE 50 -3.012 -10.474 -1.070 371 HA PHE 50 HA PHE 50 -2.788 -13.302 -1.345 372 HB2 PHE 50 1HB PHE 50 -2.035 -11.706 1.101 373 HB3 PHE 50 2HB PHE 50 -1.336 -13.219 0.536 374 HD1 PHE 50 1HD PHE 50 0.075 -13.223 -1.520 375 HD2 PHE 50 2HD PHE 50 -1.232 -9.626 0.344 376 HE1 PHE 50 1HE PHE 50 1.817 -11.970 -2.723 377 HE2 PHE 50 2HE PHE 50 0.507 -8.368 -0.856 378 HZ PHE 50 HZ PHE 50 2.035 -9.539 -2.393 379 H ARG 51 H ARG 51 -4.544 -11.164 0.859 380 HA ARG 51 HA ARG 51 -6.210 -13.456 1.632 381 HB2 ARG 51 1HB ARG 51 -4.396 -12.594 3.360 382 HB3 ARG 51 2HB ARG 51 -5.611 -11.363 3.673 383 HG2 ARG 51 1HG ARG 51 -5.749 -13.276 5.216 384 HG3 ARG 51 2HG ARG 51 -7.226 -13.039 4.279 385 HD2 ARG 51 1HD ARG 51 -5.160 -14.883 3.201 386 HD3 ARG 51 2HD ARG 51 -6.119 -15.428 4.576 387 HE ARG 51 HE ARG 51 -7.789 -14.371 2.546 388 HH11 ARG 51 1HH1 ARG 51 -5.865 -17.158 3.351 389 HH12 ARG 51 2HH1 ARG 51 -6.810 -18.250 2.393 390 HH21 ARG 51 1HH2 ARG 51 -9.041 -15.797 1.281 391 HH22 ARG 51 2HH2 ARG 51 -8.616 -17.474 1.215 392 HA PRO 52 HA PRO 52 -8.853 -10.004 0.127 393 HB2 PRO 52 1HB PRO 52 -10.657 -11.635 -1.080 394 HB3 PRO 52 2HB PRO 52 -9.164 -11.106 -1.865 395 HG2 PRO 52 1HG PRO 52 -9.766 -13.696 -0.489 396 HG3 PRO 52 2HG PRO 52 -8.905 -13.412 -2.014 397 HD2 PRO 52 1HD PRO 52 -7.618 -13.908 0.316 398 HD3 PRO 52 2HD PRO 52 -6.939 -12.860 -0.946 399 H ASP 53 H ASP 53 -9.070 -12.399 2.422 400 HA ASP 53 HA ASP 53 -11.861 -11.807 3.103 401 HB2 ASP 53 1HB ASP 53 -10.983 -14.201 2.978 402 HB3 ASP 53 2HB ASP 53 -10.081 -13.838 4.447 403 H LEU 54 H LEU 54 -9.243 -10.196 3.562 404 HA LEU 54 HA LEU 54 -9.518 -9.837 6.466 405 HB2 LEU 54 1HB LEU 54 -7.317 -9.159 4.537 406 HB3 LEU 54 2HB LEU 54 -7.376 -8.491 6.167 407 HG LEU 54 HG LEU 54 -7.087 -11.396 5.409 408 HD11 LEU 54 1HD1 LEU 54 -5.101 -9.825 5.220 409 HD12 LEU 54 2HD1 LEU 54 -4.894 -11.248 6.239 410 HD13 LEU 54 3HD1 LEU 54 -5.189 -9.673 6.975 411 HD21 LEU 54 1HD2 LEU 54 -8.089 -10.169 7.822 412 HD22 LEU 54 2HD2 LEU 54 -6.611 -11.079 8.133 413 HD23 LEU 54 3HD2 LEU 54 -7.995 -11.874 7.381 414 H ILE 55 H ILE 55 -9.902 -8.283 3.386 415 HA ILE 55 HA ILE 55 -10.905 -5.885 4.771 416 HB ILE 55 HB ILE 55 -9.815 -5.575 2.026 417 HG12 ILE 55 1HG1 ILE 55 -7.591 -4.973 3.385 418 HG13 ILE 55 2HG1 ILE 55 -8.196 -6.255 4.429 419 HG21 ILE 55 1HG2 ILE 55 -10.459 -3.929 4.359 420 HG22 ILE 55 2HG2 ILE 55 -8.960 -3.482 3.547 421 HG23 ILE 55 3HG2 ILE 55 -10.474 -3.523 2.643 422 HD11 ILE 55 1HD1 ILE 55 -6.668 -6.557 2.150 423 HD12 ILE 55 2HD1 ILE 55 -7.544 -7.825 3.007 424 HD13 ILE 55 3HD1 ILE 55 -8.296 -7.005 1.639 425 H ASP 56 H ASP 56 -12.084 -4.505 2.862 426 HA ASP 56 HA ASP 56 -14.010 -6.375 1.645 427 HB2 ASP 56 1HB ASP 56 -14.841 -4.917 3.562 428 HB3 ASP 56 2HB ASP 56 -14.632 -3.543 2.479 429 H TYR 57 H TYR 57 -11.522 -5.218 0.522 430 HA TYR 57 HA TYR 57 -11.907 -3.117 -1.216 431 HB2 TYR 57 1HB TYR 57 -9.751 -4.319 -0.813 432 HB3 TYR 57 2HB TYR 57 -10.332 -5.621 -1.845 433 HD1 TYR 57 2HD TYR 57 -11.030 -4.941 -4.259 434 HD2 TYR 57 1HD TYR 57 -8.555 -2.560 -1.747 435 HE1 TYR 57 2HE TYR 57 -10.163 -3.765 -6.238 436 HE2 TYR 57 1HE TYR 57 -7.682 -1.377 -3.719 437 HH TYR 57 HH TYR 57 -8.554 -2.364 -6.989 438 H LYS 58 H LYS 58 -13.333 -6.228 -1.298 439 HA LYS 58 HA LYS 58 -13.843 -6.522 -4.043 440 HB2 LYS 58 1HB LYS 58 -15.550 -8.108 -3.400 441 HB3 LYS 58 2HB LYS 58 -14.151 -8.311 -2.353 442 HG2 LYS 58 1HG LYS 58 -15.236 -7.290 -0.531 443 HG3 LYS 58 2HG LYS 58 -16.527 -6.658 -1.556 444 HD2 LYS 58 1HD LYS 58 -17.509 -8.488 -0.490 445 HD3 LYS 58 2HD LYS 58 -17.045 -9.123 -2.070 446 HE2 LYS 58 1HE LYS 58 -15.306 -10.369 -1.205 447 HE3 LYS 58 2HE LYS 58 -15.143 -9.344 0.220 448 HZ1 LYS 58 1HZ LYS 58 -17.493 -11.086 -0.253 449 HZ2 LYS 58 2HZ LYS 58 -17.063 -10.297 1.179 450 HZ3 LYS 58 3HZ LYS 58 -16.133 -11.593 0.615 451 H SER 59 H SER 59 -15.408 -4.616 -1.571 452 HA SER 59 HA SER 59 -17.184 -3.501 -3.634 453 HB2 SER 59 1HB SER 59 -18.340 -5.066 -1.960 454 HB3 SER 59 2HB SER 59 -18.041 -3.810 -0.759 455 HG SER 59 HG SER 59 -19.433 -2.500 -1.749 456 H LEU 60 H LEU 60 -14.626 -2.549 -2.728 457 HA LEU 60 HA LEU 60 -15.230 -0.255 -1.038 458 HB2 LEU 60 1HB LEU 60 -12.737 -1.508 -2.098 459 HB3 LEU 60 2HB LEU 60 -12.700 0.168 -1.553 460 HG LEU 60 HG LEU 60 -13.213 -2.313 0.062 461 HD11 LEU 60 1HD1 LEU 60 -10.899 -1.098 -0.472 462 HD12 LEU 60 2HD1 LEU 60 -11.236 -1.877 1.073 463 HD13 LEU 60 3HD1 LEU 60 -11.409 -0.129 0.910 464 HD21 LEU 60 1HD2 LEU 60 -14.910 -0.876 0.833 465 HD22 LEU 60 2HD2 LEU 60 -13.870 0.544 0.725 466 HD23 LEU 60 3HD2 LEU 60 -13.574 -0.673 1.967 467 H ASN 61 H ASN 61 -13.803 1.776 -1.877 468 HA ASN 61 HA ASN 61 -13.887 2.257 -4.684 469 HB2 ASN 61 1HB ASN 61 -16.158 3.182 -2.975 470 HB3 ASN 61 2HB ASN 61 -15.596 4.235 -4.271 471 HD21 ASN 61 1HD2 ASN 61 -14.954 2.496 -6.236 472 HD22 ASN 61 2HD2 ASN 61 -16.358 1.633 -6.757 473 HA PRO 62 HA PRO 62 -11.086 5.455 -3.601 474 HB2 PRO 62 1HB PRO 62 -11.555 7.316 -5.521 475 HB3 PRO 62 2HB PRO 62 -10.740 5.782 -5.849 476 HG2 PRO 62 1HG PRO 62 -13.597 6.544 -6.311 477 HG3 PRO 62 2HG PRO 62 -12.496 5.639 -7.366 478 HD2 PRO 62 1HD PRO 62 -14.368 4.426 -5.830 479 HD3 PRO 62 2HD PRO 62 -12.808 3.669 -6.211 480 H GLN 63 H GLN 63 -14.318 5.784 -3.098 481 HA GLN 63 HA GLN 63 -14.420 8.604 -2.520 482 HB2 GLN 63 1HB GLN 63 -16.666 8.030 -1.554 483 HB3 GLN 63 2HB GLN 63 -16.457 7.587 -3.243 484 HG2 GLN 63 1HG GLN 63 -17.621 5.865 -1.935 485 HG3 GLN 63 2HG GLN 63 -16.118 5.284 -2.651 486 HE21 GLN 63 1HE2 GLN 63 -15.524 3.731 -1.271 487 HE22 GLN 63 2HE2 GLN 63 -15.242 3.961 0.417 488 H ASP 64 H ASP 64 -13.227 5.895 -0.930 489 HA ASP 64 HA ASP 64 -13.479 7.202 1.698 490 HB2 ASP 64 1HB ASP 64 -13.433 4.349 0.853 491 HB3 ASP 64 2HB ASP 64 -12.664 4.751 2.387 492 H ILE 65 H ILE 65 -11.718 8.296 2.239 493 HA ILE 65 HA ILE 65 -9.106 7.380 1.261 494 HB ILE 65 HB ILE 65 -9.867 10.039 2.475 495 HG12 ILE 65 1HG1 ILE 65 -9.412 9.166 -0.381 496 HG13 ILE 65 2HG1 ILE 65 -10.884 9.837 0.311 497 HG21 ILE 65 1HG2 ILE 65 -7.321 9.390 1.024 498 HG22 ILE 65 2HG2 ILE 65 -7.688 10.785 2.038 499 HG23 ILE 65 3HG2 ILE 65 -7.479 9.194 2.769 500 HD11 ILE 65 1HD1 ILE 65 -9.965 11.987 0.448 501 HD12 ILE 65 2HD1 ILE 65 -8.323 11.390 0.202 502 HD13 ILE 65 3HD1 ILE 65 -9.478 11.370 -1.131 503 H LYS 66 H LYS 66 -10.564 8.722 4.227 504 HA LYS 66 HA LYS 66 -8.371 7.950 5.877 505 HB2 LYS 66 1HB LYS 66 -9.790 9.829 6.492 506 HB3 LYS 66 2HB LYS 66 -11.193 8.772 6.586 507 HG2 LYS 66 1HG LYS 66 -10.162 7.576 8.456 508 HG3 LYS 66 2HG LYS 66 -8.766 8.653 8.367 509 HD2 LYS 66 1HD LYS 66 -11.589 9.298 9.165 510 HD3 LYS 66 2HD LYS 66 -10.099 9.543 10.081 511 HE2 LYS 66 1HE LYS 66 -10.470 11.680 9.372 512 HE3 LYS 66 2HE LYS 66 -9.506 11.086 8.022 513 HZ1 LYS 66 1HZ LYS 66 -11.837 12.296 7.709 514 HZ2 LYS 66 2HZ LYS 66 -12.383 10.700 7.825 515 HZ3 LYS 66 3HZ LYS 66 -11.263 11.126 6.631 516 H GLU 67 H GLU 67 -11.437 6.494 4.997 517 HA GLU 67 HA GLU 67 -11.340 4.424 6.964 518 HB2 GLU 67 1HB GLU 67 -13.441 5.202 5.889 519 HB3 GLU 67 2HB GLU 67 -12.892 4.505 4.371 520 HG2 GLU 67 1HG GLU 67 -13.257 2.362 5.057 521 HG3 GLU 67 2HG GLU 67 -13.007 2.746 6.759 522 H ASN 68 H ASN 68 -11.015 4.273 3.411 523 HA ASN 68 HA ASN 68 -10.227 1.720 3.044 524 HB2 ASN 68 1HB ASN 68 -9.283 4.247 1.718 525 HB3 ASN 68 2HB ASN 68 -8.646 2.683 1.221 526 HD21 ASN 68 1HD2 ASN 68 -9.699 3.604 -0.799 527 HD22 ASN 68 2HD2 ASN 68 -11.338 3.138 -1.081 528 H ASN 69 H ASN 69 -8.013 4.378 3.892 529 HA ASN 69 HA ASN 69 -5.689 2.818 4.072 530 HB2 ASN 69 1HB ASN 69 -6.519 5.490 5.127 531 HB3 ASN 69 2HB ASN 69 -5.033 4.765 5.734 532 HD21 ASN 69 1HD2 ASN 69 -6.715 5.661 2.765 533 HD22 ASN 69 2HD2 ASN 69 -5.290 6.003 1.850 534 H LYS 70 H LYS 70 -7.742 4.053 6.717 535 HA LYS 70 HA LYS 70 -6.576 2.901 8.878 536 HB2 LYS 70 1HB LYS 70 -8.538 4.318 9.072 537 HB3 LYS 70 2HB LYS 70 -9.538 3.092 8.304 538 HG2 LYS 70 1HG LYS 70 -9.998 2.933 10.595 539 HG3 LYS 70 2HG LYS 70 -8.923 1.579 10.241 540 HD2 LYS 70 1HD LYS 70 -7.054 3.291 10.919 541 HD3 LYS 70 2HD LYS 70 -8.383 4.090 11.761 542 HE2 LYS 70 1HE LYS 70 -7.824 1.159 12.100 543 HE3 LYS 70 2HE LYS 70 -6.997 2.379 13.067 544 HZ1 LYS 70 1HZ LYS 70 -8.763 1.989 14.405 545 HZ2 LYS 70 2HZ LYS 70 -9.787 1.527 13.140 546 HZ3 LYS 70 3HZ LYS 70 -9.480 3.167 13.423 547 H LYS 71 H LYS 71 -8.878 1.308 6.692 548 HA LYS 71 HA LYS 71 -9.126 -1.130 7.959 549 HB2 LYS 71 1HB LYS 71 -9.118 -0.404 5.036 550 HB3 LYS 71 2HB LYS 71 -9.415 -2.050 5.581 551 HG2 LYS 71 1HG LYS 71 -11.291 -1.138 6.981 552 HG3 LYS 71 2HG LYS 71 -11.061 0.401 6.148 553 HD2 LYS 71 1HD LYS 71 -11.608 -2.215 4.750 554 HD3 LYS 71 2HD LYS 71 -12.855 -1.040 5.175 555 HE2 LYS 71 1HE LYS 71 -10.470 -0.174 3.596 556 HE3 LYS 71 2HE LYS 71 -11.789 -1.023 2.792 557 HZ1 LYS 71 1HZ LYS 71 -11.804 1.618 4.086 558 HZ2 LYS 71 2HZ LYS 71 -13.243 0.736 3.976 559 HZ3 LYS 71 3HZ LYS 71 -12.405 1.166 2.571 560 H ALA 72 H ALA 72 -6.798 -0.357 5.366 561 HA ALA 72 HA ALA 72 -5.373 -2.720 5.369 562 HB1 ALA 72 1HB ALA 72 -4.552 -1.517 3.673 563 HB2 ALA 72 2HB ALA 72 -4.896 0.017 4.473 564 HB3 ALA 72 3HB ALA 72 -3.422 -0.870 4.863 565 H TYR 73 H TYR 73 -4.311 0.259 7.028 566 HA TYR 73 HA TYR 73 -2.178 -0.597 8.414 567 HB2 TYR 73 1HB TYR 73 -4.379 1.042 9.684 568 HB3 TYR 73 2HB TYR 73 -2.678 1.033 10.137 569 HD1 TYR 73 1HD TYR 73 -1.557 1.042 7.298 570 HD2 TYR 73 2HD TYR 73 -4.598 3.351 9.174 571 HE1 TYR 73 1HE TYR 73 -1.125 2.880 5.722 572 HE2 TYR 73 2HE TYR 73 -4.175 5.195 7.603 573 HH TYR 73 HH TYR 73 -1.607 5.667 5.970 574 H ASP 74 H ASP 74 -5.474 -1.547 8.995 575 HA ASP 74 HA ASP 74 -4.970 -2.757 11.549 576 HB2 ASP 74 1HB ASP 74 -7.215 -1.874 10.655 577 HB3 ASP 74 2HB ASP 74 -7.307 -3.387 9.757 578 H GLY 75 H GLY 75 -5.392 -3.943 8.228 579 HA2 GLY 75 1HA GLY 75 -5.068 -6.692 8.922 580 HA3 GLY 75 2HA GLY 75 -5.001 -6.014 7.301 581 H PHE 76 H PHE 76 -2.870 -4.193 7.734 582 HA PHE 76 HA PHE 76 -0.666 -5.986 7.405 583 HB2 PHE 76 1HB PHE 76 -0.867 -2.975 7.476 584 HB3 PHE 76 2HB PHE 76 0.657 -3.824 7.238 585 HD1 PHE 76 1HD PHE 76 0.107 -5.938 5.429 586 HD2 PHE 76 2HD PHE 76 -1.557 -2.021 5.512 587 HE1 PHE 76 1HE PHE 76 -0.352 -6.085 3.016 588 HE2 PHE 76 2HE PHE 76 -2.019 -2.163 3.099 589 HZ PHE 76 HZ PHE 76 -1.417 -4.197 1.848 590 H ALA 77 H ALA 77 -1.578 -3.587 9.855 591 HA ALA 77 HA ALA 77 0.695 -4.002 11.501 592 HB1 ALA 77 1HB ALA 77 -1.977 -2.958 12.408 593 HB2 ALA 77 2HB ALA 77 -0.389 -2.628 13.101 594 HB3 ALA 77 3HB ALA 77 -0.810 -1.984 11.514 595 H SER 78 H SER 78 -2.282 -5.697 11.094 596 HA SER 78 HA SER 78 -2.570 -6.912 13.591 597 HB2 SER 78 1HB SER 78 -3.431 -7.576 10.814 598 HB3 SER 78 2HB SER 78 -3.552 -8.840 12.039 599 HG SER 78 HG SER 78 -4.587 -6.920 13.270 600 H ILE 79 H ILE 79 -0.700 -7.923 10.756 601 HA ILE 79 HA ILE 79 0.240 -10.339 11.951 602 HB ILE 79 HB ILE 79 1.951 -10.240 10.059 603 HG12 ILE 79 1HG1 ILE 79 0.163 -8.022 9.058 604 HG13 ILE 79 2HG1 ILE 79 1.716 -7.722 9.830 605 HG21 ILE 79 1HG2 ILE 79 0.120 -10.637 8.319 606 HG22 ILE 79 2HG2 ILE 79 0.112 -11.654 9.759 607 HG23 ILE 79 3HG2 ILE 79 -1.017 -10.306 9.626 608 HD11 ILE 79 1HD1 ILE 79 2.809 -8.138 7.951 609 HD12 ILE 79 2HD1 ILE 79 1.955 -9.663 7.711 610 HD13 ILE 79 3HD1 ILE 79 1.245 -8.154 7.137 611 H GLY 80 H GLY 80 1.460 -7.049 11.700 612 HA2 GLY 80 1HA GLY 80 2.853 -6.593 13.821 613 HA3 GLY 80 2HA GLY 80 3.887 -7.851 13.161 614 H ILE 81 H ILE 81 2.194 -5.298 11.394 615 HA ILE 81 HA ILE 81 4.821 -4.316 10.494 616 HB ILE 81 HB ILE 81 2.157 -4.104 9.088 617 HG12 ILE 81 1HG1 ILE 81 4.591 -5.786 8.452 618 HG13 ILE 81 2HG1 ILE 81 3.071 -6.392 9.101 619 HG21 ILE 81 1HG2 ILE 81 4.344 -3.606 7.364 620 HG22 ILE 81 2HG2 ILE 81 3.067 -2.497 7.862 621 HG23 ILE 81 3HG2 ILE 81 4.556 -2.603 8.799 622 HD11 ILE 81 1HD1 ILE 81 2.962 -4.858 6.572 623 HD12 ILE 81 2HD1 ILE 81 3.647 -6.483 6.524 624 HD13 ILE 81 3HD1 ILE 81 2.002 -6.236 7.109 625 H SER 82 H SER 82 5.199 -2.764 12.044 626 HA SER 82 HA SER 82 3.607 -1.035 13.330 627 HB2 SER 82 1HB SER 82 6.186 -0.204 11.981 628 HB3 SER 82 2HB SER 82 5.439 0.578 13.373 629 HG SER 82 HG SER 82 6.916 -1.752 13.227 630 H ARG 83 H ARG 83 2.358 0.710 12.941 631 HA ARG 83 HA ARG 83 1.768 1.333 10.170 632 HB2 ARG 83 1HB ARG 83 0.495 2.515 12.638 633 HB3 ARG 83 2HB ARG 83 -0.152 2.499 11.003 634 HG2 ARG 83 1HG ARG 83 -0.813 0.316 11.134 635 HG3 ARG 83 2HG ARG 83 0.422 -0.101 12.324 636 HD2 ARG 83 1HD ARG 83 -0.809 0.745 14.090 637 HD3 ARG 83 2HD ARG 83 -1.762 1.803 13.051 638 HE ARG 83 HE ARG 83 -2.387 -0.785 12.311 639 HH11 ARG 83 1HH1 ARG 83 -2.614 1.183 15.174 640 HH12 ARG 83 2HH1 ARG 83 -4.015 0.365 15.782 641 HH21 ARG 83 1HH2 ARG 83 -4.231 -1.870 13.102 642 HH22 ARG 83 2HH2 ARG 83 -4.933 -1.372 14.604 643 H LEU 84 H LEU 84 3.184 2.686 9.238 644 HA LEU 84 HA LEU 84 4.365 4.874 10.724 645 HB2 LEU 84 1HB LEU 84 4.635 4.151 7.810 646 HB3 LEU 84 2HB LEU 84 5.626 5.310 8.693 647 HG LEU 84 HG LEU 84 5.537 2.351 9.273 648 HD11 LEU 84 1HD1 LEU 84 7.820 3.778 7.970 649 HD12 LEU 84 2HD1 LEU 84 6.489 3.140 7.005 650 HD13 LEU 84 3HD1 LEU 84 7.452 2.053 8.006 651 HD21 LEU 84 1HD2 LEU 84 7.110 2.700 10.883 652 HD22 LEU 84 2HD2 LEU 84 6.236 4.227 11.007 653 HD23 LEU 84 3HD2 LEU 84 7.749 4.148 10.104 654 H LEU 85 H LEU 85 2.385 4.557 7.776 655 HA LEU 85 HA LEU 85 1.799 7.390 7.781 656 HB2 LEU 85 1HB LEU 85 2.088 5.739 5.762 657 HB3 LEU 85 2HB LEU 85 0.376 5.428 6.042 658 HG LEU 85 HG LEU 85 -0.061 7.853 5.724 659 HD11 LEU 85 1HD1 LEU 85 2.017 8.842 6.284 660 HD12 LEU 85 2HD1 LEU 85 1.762 9.141 4.565 661 HD13 LEU 85 3HD1 LEU 85 2.878 7.878 5.083 662 HD21 LEU 85 1HD2 LEU 85 -0.464 6.424 3.872 663 HD22 LEU 85 2HD2 LEU 85 1.256 6.307 3.502 664 HD23 LEU 85 3HD2 LEU 85 0.402 7.830 3.253 665 H GLU 86 H GLU 86 -0.238 8.321 8.076 666 HA GLU 86 HA GLU 86 -2.111 6.659 9.621 667 HB2 GLU 86 1HB GLU 86 -1.510 9.610 9.706 668 HB3 GLU 86 2HB GLU 86 -2.943 8.924 10.457 669 HG2 GLU 86 1HG GLU 86 -0.164 7.988 11.102 670 HG3 GLU 86 2HG GLU 86 -0.958 9.307 11.962 671 HA PRO 87 HA PRO 87 -5.195 7.120 6.525 672 HB2 PRO 87 1HB PRO 87 -7.431 6.933 8.054 673 HB3 PRO 87 2HB PRO 87 -6.399 5.545 7.687 674 HG2 PRO 87 1HG PRO 87 -6.487 7.242 10.152 675 HG3 PRO 87 2HG PRO 87 -6.357 5.479 10.012 676 HD2 PRO 87 1HD PRO 87 -4.217 7.062 10.505 677 HD3 PRO 87 2HD PRO 87 -4.095 5.554 9.576 678 H SER 88 H SER 88 -5.836 8.997 9.489 679 HA SER 88 HA SER 88 -7.529 10.892 8.273 680 HB2 SER 88 1HB SER 88 -7.642 10.738 10.632 681 HB3 SER 88 2HB SER 88 -5.898 10.929 10.809 682 HG SER 88 HG SER 88 -7.297 12.997 9.574 683 H ASP 89 H ASP 89 -4.149 11.295 9.347 684 HA ASP 89 HA ASP 89 -3.497 13.737 8.501 685 HB2 ASP 89 1HB ASP 89 -1.293 13.079 8.440 686 HB3 ASP 89 2HB ASP 89 -1.998 11.705 9.288 687 H MET 90 H MET 90 -3.744 10.939 6.325 688 HA MET 90 HA MET 90 -2.979 12.115 3.951 689 HB2 MET 90 1HB MET 90 -5.129 10.045 4.426 690 HB3 MET 90 2HB MET 90 -4.475 10.446 2.844 691 HG2 MET 90 1HG MET 90 -2.592 9.651 5.000 692 HG3 MET 90 2HG MET 90 -3.573 8.408 4.228 693 HE1 MET 90 1HE MET 90 -1.569 7.456 1.324 694 HE2 MET 90 2HE MET 90 -2.297 6.983 2.858 695 HE3 MET 90 3HE MET 90 -3.294 7.703 1.593 696 H VAL 91 H VAL 91 -6.209 12.079 5.428 697 HA VAL 91 HA VAL 91 -7.479 13.536 3.355 698 HB VAL 91 HB VAL 91 -8.332 13.387 6.248 699 HG11 VAL 91 1HG1 VAL 91 -10.414 14.097 5.586 700 HG12 VAL 91 2HG1 VAL 91 -9.385 15.014 4.483 701 HG13 VAL 91 3HG1 VAL 91 -10.193 13.549 3.925 702 HG21 VAL 91 1HG2 VAL 91 -8.077 11.144 5.606 703 HG22 VAL 91 2HG2 VAL 91 -9.789 11.488 5.360 704 HG23 VAL 91 3HG2 VAL 91 -8.690 11.448 3.981 705 H LEU 92 H LEU 92 -6.153 14.509 6.504 706 HA LEU 92 HA LEU 92 -6.861 17.153 6.578 707 HB2 LEU 92 1HB LEU 92 -4.170 16.041 7.353 708 HB3 LEU 92 2HB LEU 92 -4.884 17.544 7.933 709 HG LEU 92 HG LEU 92 -5.936 14.772 8.497 710 HD11 LEU 92 1HD1 LEU 92 -4.756 16.635 10.516 711 HD12 LEU 92 2HD1 LEU 92 -3.719 15.572 9.565 712 HD13 LEU 92 3HD1 LEU 92 -4.974 14.887 10.598 713 HD21 LEU 92 1HD2 LEU 92 -7.410 15.915 10.084 714 HD22 LEU 92 2HD2 LEU 92 -7.708 16.438 8.426 715 HD23 LEU 92 3HD2 LEU 92 -6.798 17.473 9.528 716 H LEU 93 H LEU 93 -3.710 16.021 5.341 717 HA LEU 93 HA LEU 93 -3.274 18.513 3.966 718 HB2 LEU 93 1HB LEU 93 -1.177 17.509 3.242 719 HB3 LEU 93 2HB LEU 93 -1.413 17.332 4.980 720 HG LEU 93 HG LEU 93 -2.301 14.964 4.337 721 HD11 LEU 93 1HD1 LEU 93 -0.896 14.136 2.357 722 HD12 LEU 93 2HD1 LEU 93 -0.817 15.832 1.882 723 HD13 LEU 93 3HD1 LEU 93 -2.380 15.025 2.010 724 HD21 LEU 93 1HD2 LEU 93 0.187 14.214 4.234 725 HD22 LEU 93 2HD2 LEU 93 -0.428 15.009 5.684 726 HD23 LEU 93 3HD2 LEU 93 0.523 15.923 4.512 727 H ALA 94 H ALA 94 -2.389 18.280 1.609 728 HA ALA 94 HA ALA 94 -4.565 17.142 0.054 729 HB1 ALA 94 1HB ALA 94 -4.158 18.771 -1.416 730 HB2 ALA 94 2HB ALA 94 -3.095 19.452 -0.183 731 HB3 ALA 94 3HB ALA 94 -2.429 18.425 -1.452 732 H ILE 95 H ILE 95 -1.013 17.156 -0.320 733 HA ILE 95 HA ILE 95 -1.226 14.438 -1.440 734 HB ILE 95 HB ILE 95 0.943 16.470 -1.978 735 HG12 ILE 95 1HG1 ILE 95 -1.134 17.203 -2.994 736 HG13 ILE 95 2HG1 ILE 95 -0.060 16.593 -4.248 737 HG21 ILE 95 1HG2 ILE 95 1.972 14.937 -3.324 738 HG22 ILE 95 2HG2 ILE 95 1.294 13.860 -2.104 739 HG23 ILE 95 3HG2 ILE 95 0.479 14.060 -3.655 740 HD11 ILE 95 1HD1 ILE 95 -2.695 15.692 -3.454 741 HD12 ILE 95 2HD1 ILE 95 -1.793 15.394 -4.940 742 HD13 ILE 95 3HD1 ILE 95 -1.524 14.376 -3.526 743 HA PRO 96 HA PRO 96 1.078 13.152 2.124 744 HB2 PRO 96 1HB PRO 96 1.550 10.610 1.296 745 HB3 PRO 96 2HB PRO 96 -0.020 11.145 1.907 746 HG2 PRO 96 1HG PRO 96 0.895 10.802 -0.923 747 HG3 PRO 96 2HG PRO 96 -0.650 10.343 -0.183 748 HD2 PRO 96 1HD PRO 96 -0.356 12.585 -1.673 749 HD3 PRO 96 2HD PRO 96 -1.491 12.485 -0.311 750 H ASP 97 H ASP 97 3.214 12.704 2.698 751 HA ASP 97 HA ASP 97 5.203 13.626 0.890 752 HB2 ASP 97 1HB ASP 97 5.293 12.416 3.645 753 HB3 ASP 97 2HB ASP 97 6.770 12.785 2.759 754 H LYS 98 H LYS 98 5.522 12.385 -0.882 755 HA LYS 98 HA LYS 98 5.318 9.735 -1.302 756 HB2 LYS 98 1HB LYS 98 6.126 11.589 -2.899 757 HB3 LYS 98 2HB LYS 98 7.742 11.195 -2.326 758 HG2 LYS 98 1HG LYS 98 7.289 8.819 -3.022 759 HG3 LYS 98 2HG LYS 98 5.829 9.418 -3.813 760 HD2 LYS 98 1HD LYS 98 7.457 9.369 -5.505 761 HD3 LYS 98 2HD LYS 98 7.360 11.064 -5.020 762 HE2 LYS 98 1HE LYS 98 9.307 10.618 -3.487 763 HE3 LYS 98 2HE LYS 98 9.461 9.042 -4.263 764 HZ1 LYS 98 1HZ LYS 98 9.403 10.646 -6.387 765 HZ2 LYS 98 2HZ LYS 98 10.832 10.168 -5.619 766 HZ3 LYS 98 3HZ LYS 98 10.146 11.675 -5.268 767 H LEU 99 H LEU 99 8.187 11.323 0.070 768 HA LEU 99 HA LEU 99 9.856 9.147 0.335 769 HB2 LEU 99 1HB LEU 99 9.510 11.401 2.306 770 HB3 LEU 99 2HB LEU 99 10.912 10.340 2.184 771 HG LEU 99 HG LEU 99 10.018 12.263 0.038 772 HD11 LEU 99 1HD1 LEU 99 12.360 12.525 1.911 773 HD12 LEU 99 2HD1 LEU 99 10.816 13.342 2.149 774 HD13 LEU 99 3HD1 LEU 99 11.790 13.698 0.723 775 HD21 LEU 99 1HD2 LEU 99 12.425 10.479 0.337 776 HD22 LEU 99 2HD2 LEU 99 12.333 11.808 -0.819 777 HD23 LEU 99 3HD2 LEU 99 11.209 10.453 -0.941 778 H THR 100 H THR 100 7.464 10.313 2.700 779 HA THR 100 HA THR 100 7.875 8.345 4.637 780 HB THR 100 HB THR 100 5.239 9.686 4.012 781 HG1 THR 100 1HG THR 100 7.368 10.950 4.498 782 HG21 THR 100 1HG2 THR 100 5.030 9.441 6.554 783 HG22 THR 100 2HG2 THR 100 6.349 8.278 6.424 784 HG23 THR 100 3HG2 THR 100 4.829 7.986 5.580 785 H VAL 101 H VAL 101 4.978 8.469 2.570 786 HA VAL 101 HA VAL 101 3.943 6.025 2.918 787 HB VAL 101 HB VAL 101 4.283 7.367 0.232 788 HG11 VAL 101 1HG1 VAL 101 2.583 5.982 -0.625 789 HG12 VAL 101 2HG1 VAL 101 3.690 4.894 0.214 790 HG13 VAL 101 3HG1 VAL 101 2.168 5.364 0.973 791 HG21 VAL 101 1HG2 VAL 101 3.005 8.376 2.371 792 HG22 VAL 101 2HG2 VAL 101 2.490 8.659 0.708 793 HG23 VAL 101 3HG2 VAL 101 1.707 7.407 1.673 794 H MET 102 H MET 102 6.392 6.647 0.393 795 HA MET 102 HA MET 102 6.811 4.104 -0.506 796 HB2 MET 102 1HB MET 102 8.691 6.416 -0.140 797 HB3 MET 102 2HB MET 102 9.277 4.884 -0.774 798 HG2 MET 102 1HG MET 102 7.419 5.076 -2.502 799 HG3 MET 102 2HG MET 102 7.260 6.749 -1.971 800 HE1 MET 102 1HE MET 102 9.517 4.773 -4.883 801 HE2 MET 102 2HE MET 102 10.813 4.633 -3.695 802 HE3 MET 102 3HE MET 102 9.204 4.013 -3.323 803 H THR 103 H THR 103 8.421 5.625 2.279 804 HA THR 103 HA THR 103 10.078 3.532 3.017 805 HB THR 103 HB THR 103 8.669 5.526 4.799 806 HG1 THR 103 1HG THR 103 10.082 6.508 3.338 807 HG21 THR 103 1HG2 THR 103 9.465 3.503 6.020 808 HG22 THR 103 2HG2 THR 103 10.286 4.988 6.502 809 HG23 THR 103 3HG2 THR 103 11.093 3.841 5.432 810 H TYR 104 H TYR 104 6.649 3.980 3.594 811 HA TYR 104 HA TYR 104 6.426 1.817 5.464 812 HB2 TYR 104 1HB TYR 104 4.853 3.727 5.453 813 HB3 TYR 104 2HB TYR 104 4.264 3.216 3.875 814 HD1 TYR 104 2HD TYR 104 4.984 1.376 7.051 815 HD2 TYR 104 1HD TYR 104 2.124 2.378 4.064 816 HE1 TYR 104 2HE TYR 104 3.336 -0.087 8.145 817 HE2 TYR 104 1HE TYR 104 0.469 0.919 5.151 818 HH TYR 104 HH TYR 104 0.140 0.040 7.635 819 H LEU 105 H LEU 105 5.695 2.262 2.023 820 HA LEU 105 HA LEU 105 4.514 -0.181 1.479 821 HB2 LEU 105 1HB LEU 105 6.141 1.732 -0.126 822 HB3 LEU 105 2HB LEU 105 5.729 0.166 -0.822 823 HG LEU 105 HG LEU 105 3.653 2.069 0.240 824 HD11 LEU 105 1HD1 LEU 105 3.953 1.861 -2.662 825 HD12 LEU 105 2HD1 LEU 105 5.287 2.682 -1.852 826 HD13 LEU 105 3HD1 LEU 105 3.637 3.269 -1.648 827 HD21 LEU 105 1HD2 LEU 105 3.336 -0.052 -1.856 828 HD22 LEU 105 2HD2 LEU 105 2.099 0.724 -0.866 829 HD23 LEU 105 3HD2 LEU 105 3.216 -0.432 -0.138 830 H TYR 106 H TYR 106 7.970 0.656 1.289 831 HA TYR 106 HA TYR 106 9.025 -1.720 0.446 832 HB2 TYR 106 1HB TYR 106 10.068 0.309 2.408 833 HB3 TYR 106 2HB TYR 106 11.014 -1.108 1.969 834 HD1 TYR 106 2HD TYR 106 10.835 -1.462 -0.799 835 HD2 TYR 106 1HD TYR 106 10.783 2.215 1.340 836 HE1 TYR 106 2HE TYR 106 11.664 -0.294 -2.798 837 HE2 TYR 106 1HE TYR 106 11.610 3.394 -0.654 838 HH TYR 106 HH TYR 106 13.109 2.305 -2.944 839 H GLN 107 H GLN 107 7.889 -0.900 3.673 840 HA GLN 107 HA GLN 107 8.885 -3.143 5.036 841 HB2 GLN 107 1HB GLN 107 6.340 -1.628 5.634 842 HB3 GLN 107 2HB GLN 107 7.257 -2.622 6.758 843 HG2 GLN 107 1HG GLN 107 8.517 -0.258 5.431 844 HG3 GLN 107 2HG GLN 107 7.503 -0.064 6.860 845 HE21 GLN 107 1HE2 GLN 107 10.427 0.310 6.347 846 HE22 GLN 107 2HE2 GLN 107 11.209 -0.606 7.585 847 H ILE 108 H ILE 108 5.546 -2.583 3.905 848 HA ILE 108 HA ILE 108 4.559 -5.124 4.382 849 HB ILE 108 HB ILE 108 3.784 -3.266 2.130 850 HG12 ILE 108 1HG1 ILE 108 1.842 -2.898 3.884 851 HG13 ILE 108 2HG1 ILE 108 3.071 -3.424 5.030 852 HG21 ILE 108 1HG2 ILE 108 3.073 -5.804 2.188 853 HG22 ILE 108 2HG2 ILE 108 1.901 -5.210 3.362 854 HG23 ILE 108 3HG2 ILE 108 1.929 -4.542 1.730 855 HD11 ILE 108 1HD1 ILE 108 3.942 -1.360 3.138 856 HD12 ILE 108 2HD1 ILE 108 2.683 -0.868 4.272 857 HD13 ILE 108 3HD1 ILE 108 4.213 -1.505 4.875 858 H ARG 109 H ARG 109 5.751 -3.877 1.256 859 HA ARG 109 HA ARG 109 5.600 -6.233 -0.187 860 HB2 ARG 109 1HB ARG 109 6.059 -4.294 -1.423 861 HB3 ARG 109 2HB ARG 109 7.409 -3.844 -0.389 862 HG2 ARG 109 1HG ARG 109 7.612 -6.379 -1.920 863 HG3 ARG 109 2HG ARG 109 7.771 -4.855 -2.797 864 HD2 ARG 109 1HD ARG 109 9.431 -4.254 -0.874 865 HD3 ARG 109 2HD ARG 109 9.502 -6.001 -0.648 866 HE ARG 109 HE ARG 109 9.902 -5.243 -3.372 867 HH11 ARG 109 1HH1 ARG 109 11.464 -5.539 -0.275 868 HH12 ARG 109 2HH1 ARG 109 13.048 -5.742 -0.947 869 HH21 ARG 109 1HH2 ARG 109 11.983 -5.508 -4.269 870 HH22 ARG 109 2HH2 ARG 109 13.342 -5.723 -3.219 871 H ALA 110 H ALA 110 8.067 -5.147 2.060 872 HA ALA 110 HA ALA 110 10.002 -7.122 1.434 873 HB1 ALA 110 1HB ALA 110 10.782 -5.214 2.568 874 HB2 ALA 110 2HB ALA 110 9.571 -5.375 3.840 875 HB3 ALA 110 3HB ALA 110 10.898 -6.532 3.735 876 H HIS 111 H HIS 111 7.735 -6.872 4.180 877 HA HIS 111 HA HIS 111 8.274 -9.358 5.311 878 HB2 HIS 111 1HB HIS 111 5.569 -8.016 5.314 879 HB3 HIS 111 2HB HIS 111 6.224 -9.111 6.527 880 HD1 HIS 111 1HD HIS 111 8.670 -8.023 7.535 881 HD2 HIS 111 2HD HIS 111 5.681 -5.473 6.184 882 HE1 HIS 111 1HE HIS 111 9.143 -5.800 8.613 883 HE2 HIS 111 2HE HIS 111 7.273 -4.297 7.848 884 H PHE 112 H PHE 112 5.679 -8.478 3.034 885 HA PHE 112 HA PHE 112 4.632 -11.071 2.754 886 HB2 PHE 112 1HB PHE 112 4.511 -8.603 1.039 887 HB3 PHE 112 2HB PHE 112 3.764 -10.109 0.517 888 HD1 PHE 112 2HD PHE 112 3.917 -8.062 3.638 889 HD2 PHE 112 1HD PHE 112 1.519 -10.272 0.903 890 HE1 PHE 112 2HE PHE 112 1.915 -7.523 4.963 891 HE2 PHE 112 1HE PHE 112 -0.487 -9.735 2.223 892 HZ PHE 112 HZ PHE 112 -0.290 -8.360 4.257 893 H SER 113 H SER 113 7.093 -9.320 0.912 894 HA SER 113 HA SER 113 8.009 -11.883 -0.177 895 HB2 SER 113 1HB SER 113 6.577 -10.712 -1.878 896 HB3 SER 113 2HB SER 113 7.743 -9.390 -1.871 897 HG SER 113 HG SER 113 8.597 -12.032 -2.324 898 H SER 114 H SER 114 10.191 -12.090 -0.332 899 HA SER 114 HA SER 114 11.776 -9.898 0.786 900 HB2 SER 114 1HB SER 114 11.844 -12.278 1.729 901 HB3 SER 114 2HB SER 114 12.740 -12.710 0.273 902 HG SER 114 HG SER 114 14.195 -12.173 1.890 903 H GLY 115 H GLY 115 14.109 -9.824 -0.102 904 HA2 GLY 115 1HA GLY 115 13.887 -9.303 -2.944 905 HA3 GLY 115 2HA GLY 115 15.254 -8.910 -1.912 906 HA PRO 116 HA PRO 116 17.339 -12.190 -4.013 907 HB2 PRO 116 1HB PRO 116 19.538 -12.271 -2.423 908 HB3 PRO 116 2HB PRO 116 19.264 -11.000 -3.621 909 HG2 PRO 116 1HG PRO 116 18.789 -10.953 -0.665 910 HG3 PRO 116 2HG PRO 116 19.506 -9.706 -1.703 911 HD2 PRO 116 1HD PRO 116 16.934 -9.600 -0.862 912 HD3 PRO 116 2HD PRO 116 17.452 -8.955 -2.433 913 H SER 117 H SER 117 17.900 -14.374 -3.706 914 HA SER 117 HA SER 117 16.418 -15.702 -1.648 915 HB2 SER 117 1HB SER 117 17.280 -17.777 -2.693 916 HB3 SER 117 2HB SER 117 16.574 -16.680 -3.880 917 HG SER 117 HG SER 117 18.892 -17.734 -4.061 918 H SER 118 H SER 118 17.429 -14.928 0.263 919 HA SER 118 HA SER 118 20.210 -15.473 0.757 920 HB2 SER 118 1HB SER 118 19.818 -14.541 2.954 921 HB3 SER 118 2HB SER 118 18.990 -13.535 1.766 922 HG SER 118 HG SER 118 17.921 -14.567 3.869 923 H GLY 119 H GLY 119 19.135 -17.832 0.006 924 HA2 GLY 119 1HA GLY 119 18.415 -19.351 2.388 925 HA3 GLY 119 2HA GLY 119 18.451 -19.954 0.737 Start of MODEL 3 1 H1 GLY 1 H GLY 1 16.369 -2.127 -19.980 2 HA2 GLY 1 1HA GLY 1 16.218 -4.966 -19.338 3 HA3 GLY 1 2HA GLY 1 17.269 -3.780 -18.578 4 H SER 2 H SER 2 15.745 -5.723 -17.190 5 HA SER 2 HA SER 2 13.684 -4.079 -15.882 6 HB2 SER 2 1HB SER 2 12.766 -6.202 -15.023 7 HB3 SER 2 2HB SER 2 12.843 -6.198 -16.785 8 HG SER 2 HG SER 2 15.033 -7.212 -15.381 9 H SER 3 H SER 3 13.876 -3.532 -13.787 10 HA SER 3 HA SER 3 16.296 -3.488 -12.482 11 HB2 SER 3 1HB SER 3 15.025 -2.974 -10.428 12 HB3 SER 3 2HB SER 3 14.403 -2.083 -11.817 13 HG SER 3 HG SER 3 13.010 -3.547 -10.217 14 H GLY 4 H GLY 4 13.690 -5.873 -12.146 15 HA2 GLY 4 1HA GLY 4 14.389 -8.215 -11.899 16 HA3 GLY 4 2HA GLY 4 15.637 -7.644 -10.802 17 H SER 5 H SER 5 13.552 -9.637 -10.348 18 HA SER 5 HA SER 5 11.559 -8.484 -8.654 19 HB2 SER 5 1HB SER 5 12.459 -11.298 -9.224 20 HB3 SER 5 2HB SER 5 11.293 -10.963 -7.944 21 HG SER 5 HG SER 5 10.946 -10.000 -10.578 22 H SER 6 H SER 6 14.582 -10.252 -8.085 23 HA SER 6 HA SER 6 14.363 -9.738 -5.218 24 HB2 SER 6 1HB SER 6 16.503 -11.289 -6.692 25 HB3 SER 6 2HB SER 6 16.201 -11.287 -4.954 26 HG SER 6 HG SER 6 15.115 -13.030 -5.559 27 H GLY 7 H GLY 7 14.722 -7.488 -5.215 28 HA2 GLY 7 1HA GLY 7 17.320 -6.641 -4.752 29 HA3 GLY 7 2HA GLY 7 16.987 -6.279 -6.439 30 HA PRO 8 HA PRO 8 14.006 -3.649 -3.628 31 HB2 PRO 8 1HB PRO 8 14.933 -3.236 -1.110 32 HB3 PRO 8 2HB PRO 8 13.853 -4.571 -1.529 33 HG2 PRO 8 1HG PRO 8 16.826 -4.579 -1.174 34 HG3 PRO 8 2HG PRO 8 15.629 -5.759 -0.609 35 HD2 PRO 8 1HD PRO 8 17.141 -6.161 -2.819 36 HD3 PRO 8 2HD PRO 8 15.487 -6.788 -2.667 37 H ASN 9 H ASN 9 17.310 -3.569 -4.157 38 HA ASN 9 HA ASN 9 18.119 -1.100 -3.152 39 HB2 ASN 9 1HB ASN 9 18.978 -2.675 -5.573 40 HB3 ASN 9 2HB ASN 9 19.733 -1.142 -5.149 41 HD21 ASN 9 1HD2 ASN 9 21.657 -2.505 -5.016 42 HD22 ASN 9 2HD2 ASN 9 21.989 -3.326 -3.533 43 H ALA 10 H ALA 10 17.000 -1.814 -6.466 44 HA ALA 10 HA ALA 10 16.770 0.934 -7.175 45 HB1 ALA 10 1HB ALA 10 15.151 -0.889 -8.764 46 HB2 ALA 10 2HB ALA 10 16.494 0.149 -9.245 47 HB3 ALA 10 3HB ALA 10 16.813 -1.443 -8.558 48 H SER 11 H SER 11 14.963 2.229 -7.362 49 HA SER 11 HA SER 11 12.795 1.596 -5.565 50 HB2 SER 11 1HB SER 11 12.006 3.936 -6.505 51 HB3 SER 11 2HB SER 11 13.344 3.833 -5.361 52 HG SER 11 HG SER 11 13.771 3.765 -8.152 53 H GLN 12 H GLN 12 13.346 0.532 -8.515 54 HA GLN 12 HA GLN 12 10.757 1.087 -9.710 55 HB2 GLN 12 1HB GLN 12 12.534 1.060 -11.273 56 HB3 GLN 12 2HB GLN 12 13.186 -0.439 -10.625 57 HG2 GLN 12 1HG GLN 12 11.133 -1.597 -11.429 58 HG3 GLN 12 2HG GLN 12 10.658 -0.092 -12.216 59 HE21 GLN 12 1HE2 GLN 12 11.069 -2.516 -13.559 60 HE22 GLN 12 2HE2 GLN 12 12.422 -2.328 -14.618 61 H SER 13 H SER 13 12.559 -1.714 -8.481 62 HA SER 13 HA SER 13 10.844 -3.764 -9.003 63 HB2 SER 13 1HB SER 13 12.599 -3.206 -6.629 64 HB3 SER 13 2HB SER 13 11.601 -4.659 -6.677 65 HG SER 13 HG SER 13 13.733 -3.908 -8.358 66 H LEU 14 H LEU 14 10.527 -1.323 -6.484 67 HA LEU 14 HA LEU 14 8.391 -2.463 -5.071 68 HB2 LEU 14 1HB LEU 14 9.610 -0.649 -4.120 69 HB3 LEU 14 2HB LEU 14 9.216 0.402 -5.478 70 HG LEU 14 HG LEU 14 6.837 0.350 -4.752 71 HD11 LEU 14 1HD1 LEU 14 7.968 -1.075 -2.349 72 HD12 LEU 14 2HD1 LEU 14 6.858 -1.753 -3.539 73 HD13 LEU 14 3HD1 LEU 14 6.329 -0.439 -2.490 74 HD21 LEU 14 1HD2 LEU 14 7.102 2.034 -3.179 75 HD22 LEU 14 2HD2 LEU 14 8.640 2.060 -4.043 76 HD23 LEU 14 3HD2 LEU 14 8.528 1.281 -2.464 77 H LEU 15 H LEU 15 8.165 0.299 -7.319 78 HA LEU 15 HA LEU 15 5.482 0.478 -7.622 79 HB2 LEU 15 1HB LEU 15 7.357 1.806 -8.758 80 HB3 LEU 15 2HB LEU 15 7.277 0.584 -10.025 81 HG LEU 15 HG LEU 15 4.714 1.262 -10.008 82 HD11 LEU 15 1HD1 LEU 15 5.355 2.909 -8.083 83 HD12 LEU 15 2HD1 LEU 15 4.216 3.400 -9.335 84 HD13 LEU 15 3HD1 LEU 15 5.895 3.935 -9.412 85 HD21 LEU 15 1HD2 LEU 15 6.497 3.231 -11.341 86 HD22 LEU 15 2HD2 LEU 15 5.126 2.327 -11.984 87 HD23 LEU 15 3HD2 LEU 15 6.681 1.526 -11.753 88 H VAL 16 H VAL 16 7.597 -1.824 -9.283 89 HA VAL 16 HA VAL 16 5.559 -2.990 -10.877 90 HB VAL 16 HB VAL 16 8.180 -4.208 -9.997 91 HG11 VAL 16 1HG1 VAL 16 5.987 -5.188 -11.619 92 HG12 VAL 16 2HG1 VAL 16 7.513 -5.172 -12.505 93 HG13 VAL 16 3HG1 VAL 16 7.388 -6.045 -10.977 94 HG21 VAL 16 1HG2 VAL 16 7.761 -1.955 -11.573 95 HG22 VAL 16 2HG2 VAL 16 9.240 -2.910 -11.465 96 HG23 VAL 16 3HG2 VAL 16 8.056 -3.258 -12.724 97 H TRP 17 H TRP 17 7.103 -4.007 -7.838 98 HA TRP 17 HA TRP 17 5.892 -6.406 -7.387 99 HB2 TRP 17 1HB TRP 17 7.552 -5.419 -5.870 100 HB3 TRP 17 2HB TRP 17 6.362 -4.237 -5.330 101 HD1 TRP 17 HD TRP 17 7.382 -7.876 -4.891 102 HE1 TRP 17 1HE TRP 17 6.063 -8.882 -2.923 103 HE3 TRP 17 3HE TRP 17 4.103 -4.041 -4.066 104 HZ2 TRP 17 2HZ TRP 17 3.916 -8.147 -1.244 105 HZ3 TRP 17 3HZ TRP 17 2.448 -4.272 -2.260 106 HH2 TRP 17 HH TRP 17 2.358 -6.284 -0.880 107 H CYS 18 H CYS 18 4.538 -3.212 -6.603 108 HA CYS 18 HA CYS 18 2.112 -4.174 -5.534 109 HB2 CYS 18 1HB CYS 18 2.436 -1.509 -6.905 110 HB3 CYS 18 2HB CYS 18 1.365 -1.924 -5.572 111 HG CYS 18 HG CYS 18 3.786 -0.225 -5.060 112 H LYS 19 H LYS 19 2.546 -2.460 -8.632 113 HA LYS 19 HA LYS 19 0.130 -2.935 -9.780 114 HB2 LYS 19 1HB LYS 19 2.817 -3.025 -11.163 115 HB3 LYS 19 2HB LYS 19 1.271 -2.835 -11.980 116 HG2 LYS 19 1HG LYS 19 0.924 -0.700 -11.043 117 HG3 LYS 19 2HG LYS 19 2.230 -0.919 -9.876 118 HD2 LYS 19 1HD LYS 19 3.302 0.384 -11.420 119 HD3 LYS 19 2HD LYS 19 3.667 -1.214 -12.075 120 HE2 LYS 19 1HE LYS 19 1.393 -0.822 -13.355 121 HE3 LYS 19 2HE LYS 19 1.788 0.872 -13.068 122 HZ1 LYS 19 1HZ LYS 19 3.651 -1.054 -14.340 123 HZ2 LYS 19 2HZ LYS 19 3.828 0.625 -14.232 124 HZ3 LYS 19 3HZ LYS 19 2.617 -0.037 -15.211 125 H GLU 20 H GLU 20 2.603 -5.257 -9.141 126 HA GLU 20 HA GLU 20 1.705 -7.248 -10.982 127 HB2 GLU 20 1HB GLU 20 4.002 -6.985 -9.732 128 HB3 GLU 20 2HB GLU 20 3.203 -7.930 -8.484 129 HG2 GLU 20 1HG GLU 20 2.829 -9.739 -10.018 130 HG3 GLU 20 2HG GLU 20 3.462 -8.783 -11.357 131 H VAL 21 H VAL 21 1.491 -7.025 -7.426 132 HA VAL 21 HA VAL 21 -0.232 -9.210 -7.088 133 HB VAL 21 HB VAL 21 -0.614 -8.440 -4.865 134 HG11 VAL 21 1HG1 VAL 21 1.877 -8.857 -5.877 135 HG12 VAL 21 2HG1 VAL 21 2.076 -7.296 -5.077 136 HG13 VAL 21 3HG1 VAL 21 1.502 -8.691 -4.162 137 HG21 VAL 21 1HG2 VAL 21 -1.069 -6.301 -4.480 138 HG22 VAL 21 2HG2 VAL 21 0.638 -5.923 -4.713 139 HG23 VAL 21 3HG2 VAL 21 -0.477 -5.850 -6.078 140 H THR 22 H THR 22 -0.837 -5.950 -8.079 141 HA THR 22 HA THR 22 -3.740 -6.398 -7.866 142 HB THR 22 HB THR 22 -4.015 -3.971 -8.041 143 HG1 THR 22 1HG THR 22 -1.171 -3.994 -8.191 144 HG21 THR 22 1HG2 THR 22 -2.516 -3.429 -5.906 145 HG22 THR 22 2HG2 THR 22 -2.354 -5.185 -5.898 146 HG23 THR 22 3HG2 THR 22 -3.952 -4.446 -5.809 147 H LYS 23 H LYS 23 -1.815 -7.310 -9.992 148 HA LYS 23 HA LYS 23 -2.238 -5.786 -12.335 149 HB2 LYS 23 1HB LYS 23 -1.399 -7.724 -13.537 150 HB3 LYS 23 2HB LYS 23 -0.424 -7.440 -12.100 151 HG2 LYS 23 1HG LYS 23 -1.944 -9.184 -10.980 152 HG3 LYS 23 2HG LYS 23 -2.409 -9.618 -12.626 153 HD2 LYS 23 1HD LYS 23 -0.033 -9.988 -13.172 154 HD3 LYS 23 2HD LYS 23 0.392 -9.615 -11.499 155 HE2 LYS 23 1HE LYS 23 -1.318 -11.903 -12.468 156 HE3 LYS 23 2HE LYS 23 0.311 -12.010 -11.804 157 HZ1 LYS 23 1HZ LYS 23 -1.029 -12.550 -10.020 158 HZ2 LYS 23 2HZ LYS 23 -2.214 -11.408 -10.410 159 HZ3 LYS 23 3HZ LYS 23 -0.738 -10.905 -9.755 160 H ASN 24 H ASN 24 -4.119 -8.222 -10.707 161 HA ASN 24 HA ASN 24 -6.059 -8.204 -12.921 162 HB2 ASN 24 1HB ASN 24 -5.356 -10.254 -10.850 163 HB3 ASN 24 2HB ASN 24 -6.966 -10.256 -11.564 164 HD21 ASN 24 1HD2 ASN 24 -3.794 -11.275 -11.888 165 HD22 ASN 24 2HD2 ASN 24 -3.865 -11.825 -13.524 166 H TYR 25 H TYR 25 -6.079 -5.985 -11.348 167 HA TYR 25 HA TYR 25 -8.464 -6.377 -9.661 168 HB2 TYR 25 1HB TYR 25 -6.052 -4.638 -9.282 169 HB3 TYR 25 2HB TYR 25 -7.595 -4.154 -8.586 170 HD1 TYR 25 2HD TYR 25 -5.611 -7.320 -8.842 171 HD2 TYR 25 1HD TYR 25 -7.833 -4.674 -6.360 172 HE1 TYR 25 2HE TYR 25 -5.194 -8.789 -6.914 173 HE2 TYR 25 1HE TYR 25 -7.421 -6.134 -4.424 174 HH TYR 25 HH TYR 25 -6.868 -8.497 -3.985 175 H ARG 26 H ARG 26 -9.559 -4.085 -9.338 176 HA ARG 26 HA ARG 26 -9.866 -2.906 -12.022 177 HB2 ARG 26 1HB ARG 26 -11.867 -3.711 -9.963 178 HB3 ARG 26 2HB ARG 26 -12.220 -2.301 -10.953 179 HG2 ARG 26 1HG ARG 26 -13.208 -3.958 -12.181 180 HG3 ARG 26 2HG ARG 26 -11.609 -3.901 -12.926 181 HD2 ARG 26 1HD ARG 26 -12.163 -6.194 -12.556 182 HD3 ARG 26 2HD ARG 26 -10.915 -5.745 -11.394 183 HE ARG 26 HE ARG 26 -13.365 -5.356 -10.151 184 HH11 ARG 26 1HH1 ARG 26 -11.522 -7.992 -11.483 185 HH12 ARG 26 2HH1 ARG 26 -12.186 -9.174 -10.403 186 HH21 ARG 26 1HH2 ARG 26 -14.247 -6.902 -8.724 187 HH22 ARG 26 2HH2 ARG 26 -13.737 -8.553 -8.835 188 H GLY 27 H GLY 27 -9.441 -0.803 -12.204 189 HA2 GLY 27 1HA GLY 27 -9.109 1.405 -11.658 190 HA3 GLY 27 2HA GLY 27 -10.090 1.125 -10.227 191 H VAL 28 H VAL 28 -7.161 -0.659 -10.952 192 HA VAL 28 HA VAL 28 -5.887 0.635 -8.630 193 HB VAL 28 HB VAL 28 -5.418 -2.154 -9.696 194 HG11 VAL 28 1HG1 VAL 28 -4.348 -2.112 -7.211 195 HG12 VAL 28 2HG1 VAL 28 -3.427 -1.838 -8.691 196 HG13 VAL 28 3HG1 VAL 28 -4.005 -0.466 -7.745 197 HG21 VAL 28 1HG2 VAL 28 -7.562 -2.071 -8.644 198 HG22 VAL 28 2HG2 VAL 28 -6.442 -2.841 -7.520 199 HG23 VAL 28 3HG2 VAL 28 -6.917 -1.160 -7.278 200 H LYS 29 H LYS 29 -4.874 2.272 -9.810 201 HA LYS 29 HA LYS 29 -2.711 1.350 -11.587 202 HB2 LYS 29 1HB LYS 29 -4.245 2.532 -12.965 203 HB3 LYS 29 2HB LYS 29 -4.444 3.810 -11.772 204 HG2 LYS 29 1HG LYS 29 -3.092 4.792 -13.367 205 HG3 LYS 29 2HG LYS 29 -1.931 4.248 -12.153 206 HD2 LYS 29 1HD LYS 29 -0.925 3.494 -14.076 207 HD3 LYS 29 2HD LYS 29 -1.881 2.078 -13.630 208 HE2 LYS 29 1HE LYS 29 -2.365 2.312 -15.879 209 HE3 LYS 29 2HE LYS 29 -3.709 3.160 -15.118 210 HZ1 LYS 29 1HZ LYS 29 -3.155 4.948 -16.270 211 HZ2 LYS 29 2HZ LYS 29 -1.819 4.158 -16.941 212 HZ3 LYS 29 3HZ LYS 29 -1.657 5.005 -15.486 213 H ILE 30 H ILE 30 -0.885 1.457 -10.447 214 HA ILE 30 HA ILE 30 -0.504 3.589 -8.491 215 HB ILE 30 HB ILE 30 1.300 1.251 -9.124 216 HG12 ILE 30 1HG1 ILE 30 0.325 0.624 -6.729 217 HG13 ILE 30 2HG1 ILE 30 -1.037 1.580 -7.300 218 HG21 ILE 30 1HG2 ILE 30 1.867 3.578 -7.752 219 HG22 ILE 30 2HG2 ILE 30 1.475 2.426 -6.476 220 HG23 ILE 30 3HG2 ILE 30 2.751 2.057 -7.636 221 HD11 ILE 30 1HD1 ILE 30 -0.380 -1.116 -7.885 222 HD12 ILE 30 2HD1 ILE 30 -1.782 -0.180 -8.402 223 HD13 ILE 30 3HD1 ILE 30 -0.315 -0.185 -9.381 224 H THR 31 H THR 31 -0.403 5.206 -10.247 225 HA THR 31 HA THR 31 1.881 5.188 -11.997 226 HB THR 31 HB THR 31 1.104 7.636 -12.383 227 HG1 THR 31 1HG THR 31 -0.238 7.807 -10.554 228 HG21 THR 31 1HG2 THR 31 0.014 5.082 -13.275 229 HG22 THR 31 2HG2 THR 31 0.466 6.507 -14.211 230 HG23 THR 31 3HG2 THR 31 -1.124 6.417 -13.454 231 H ASN 32 H ASN 32 1.072 6.527 -8.882 232 HA ASN 32 HA ASN 32 3.825 7.495 -8.631 233 HB2 ASN 32 1HB ASN 32 1.543 9.139 -7.559 234 HB3 ASN 32 2HB ASN 32 3.219 9.617 -7.810 235 HD21 ASN 32 1HD2 ASN 32 0.299 10.248 -8.870 236 HD22 ASN 32 2HD2 ASN 32 0.600 10.558 -10.543 237 H PHE 33 H PHE 33 4.053 8.308 -6.187 238 HA PHE 33 HA PHE 33 2.885 6.191 -4.503 239 HB2 PHE 33 1HB PHE 33 5.656 7.365 -4.539 240 HB3 PHE 33 2HB PHE 33 5.029 6.545 -3.113 241 HD1 PHE 33 2HD PHE 33 3.805 4.205 -3.802 242 HD2 PHE 33 1HD PHE 33 7.007 6.097 -5.872 243 HE1 PHE 33 2HE PHE 33 4.465 2.036 -4.758 244 HE2 PHE 33 1HE PHE 33 7.671 3.932 -6.832 245 HZ PHE 33 HZ PHE 33 6.401 1.897 -6.274 246 H THR 34 H THR 34 2.027 9.015 -5.068 247 HA THR 34 HA THR 34 2.098 10.020 -2.297 248 HB THR 34 HB THR 34 1.571 12.274 -3.324 249 HG1 THR 34 1HG THR 34 1.345 12.364 -5.420 250 HG21 THR 34 1HG2 THR 34 3.734 12.626 -2.935 251 HG22 THR 34 2HG2 THR 34 4.135 11.917 -4.499 252 HG23 THR 34 3HG2 THR 34 4.043 10.895 -3.065 253 H THR 35 H THR 35 0.072 10.734 -5.133 254 HA THR 35 HA THR 35 -2.295 10.778 -3.490 255 HB THR 35 HB THR 35 -3.490 11.428 -5.493 256 HG1 THR 35 1HG THR 35 -2.253 11.551 -7.497 257 HG21 THR 35 1HG2 THR 35 -1.452 12.878 -4.335 258 HG22 THR 35 2HG2 THR 35 -2.668 13.513 -5.442 259 HG23 THR 35 3HG2 THR 35 -1.098 12.998 -6.057 260 H SER 36 H SER 36 -0.942 8.698 -6.006 261 HA SER 36 HA SER 36 -3.013 7.020 -6.574 262 HB2 SER 36 1HB SER 36 -1.013 6.609 -7.736 263 HB3 SER 36 2HB SER 36 -0.071 6.479 -6.251 264 HG SER 36 HG SER 36 -2.141 4.649 -6.652 265 H TRP 37 H TRP 37 -1.280 7.283 -3.586 266 HA TRP 37 HA TRP 37 -2.731 4.952 -2.523 267 HB2 TRP 37 1HB TRP 37 -0.320 6.304 -1.301 268 HB3 TRP 37 2HB TRP 37 -1.040 4.770 -0.822 269 HD1 TRP 37 HD TRP 37 0.958 6.316 -3.743 270 HE1 TRP 37 1HE TRP 37 2.231 4.423 -4.934 271 HE3 TRP 37 3HE TRP 37 -0.942 2.323 -1.178 272 HZ2 TRP 37 2HZ TRP 37 2.407 1.609 -4.803 273 HZ3 TRP 37 3HZ TRP 37 -0.169 0.064 -1.773 274 HH2 TRP 37 HH TRP 37 1.470 -0.284 -3.549 275 H ARG 38 H ARG 38 -2.378 8.362 -2.352 276 HA ARG 38 HA ARG 38 -3.036 9.141 0.141 277 HB2 ARG 38 1HB ARG 38 -2.862 10.886 -1.379 278 HB3 ARG 38 2HB ARG 38 -3.950 10.126 -2.532 279 HG2 ARG 38 1HG ARG 38 -5.838 10.861 -1.446 280 HG3 ARG 38 2HG ARG 38 -5.011 11.021 0.105 281 HD2 ARG 38 1HD ARG 38 -3.693 12.907 -0.929 282 HD3 ARG 38 2HD ARG 38 -4.800 12.820 -2.299 283 HE ARG 38 HE ARG 38 -5.307 14.022 0.228 284 HH11 ARG 38 1HH1 ARG 38 -6.820 12.270 -2.372 285 HH12 ARG 38 2HH1 ARG 38 -8.394 12.932 -2.076 286 HH21 ARG 38 1HH2 ARG 38 -7.374 14.900 0.628 287 HH22 ARG 38 2HH2 ARG 38 -8.708 14.429 -0.370 288 H ASN 39 H ASN 39 -5.322 7.840 -2.239 289 HA ASN 39 HA ASN 39 -7.606 8.071 -0.569 290 HB2 ASN 39 1HB ASN 39 -8.411 6.185 -2.261 291 HB3 ASN 39 2HB ASN 39 -8.253 7.866 -2.762 292 HD21 ASN 39 1HD2 ASN 39 -8.111 6.856 -4.897 293 HD22 ASN 39 2HD2 ASN 39 -6.566 6.324 -5.457 294 H GLY 40 H GLY 40 -5.590 5.268 -1.465 295 HA2 GLY 40 1HA GLY 40 -4.894 3.750 0.322 296 HA3 GLY 40 2HA GLY 40 -6.482 3.982 1.040 297 H LEU 41 H LEU 41 -6.001 3.535 -2.397 298 HA LEU 41 HA LEU 41 -7.741 1.234 -2.356 299 HB2 LEU 41 1HB LEU 41 -6.394 2.805 -4.528 300 HB3 LEU 41 2HB LEU 41 -7.241 1.298 -4.870 301 HG LEU 41 HG LEU 41 -8.438 3.839 -3.770 302 HD11 LEU 41 1HD1 LEU 41 -8.807 2.396 -6.391 303 HD12 LEU 41 2HD1 LEU 41 -7.970 3.929 -6.149 304 HD13 LEU 41 3HD1 LEU 41 -9.707 3.820 -5.866 305 HD21 LEU 41 1HD2 LEU 41 -9.596 2.077 -2.704 306 HD22 LEU 41 2HD2 LEU 41 -9.611 1.098 -4.171 307 HD23 LEU 41 3HD2 LEU 41 -10.598 2.557 -4.074 308 H SER 42 H SER 42 -4.566 1.760 -3.897 309 HA SER 42 HA SER 42 -3.894 -0.835 -4.419 310 HB2 SER 42 1HB SER 42 -2.024 1.348 -3.466 311 HB3 SER 42 2HB SER 42 -1.528 -0.130 -4.289 312 HG SER 42 HG SER 42 -3.331 1.764 -5.386 313 H PHE 43 H PHE 43 -3.555 0.882 -1.354 314 HA PHE 43 HA PHE 43 -2.079 -1.005 0.061 315 HB2 PHE 43 1HB PHE 43 -4.079 1.078 0.875 316 HB3 PHE 43 2HB PHE 43 -3.420 -0.026 2.076 317 HD1 PHE 43 2HD PHE 43 -0.670 -0.306 1.498 318 HD2 PHE 43 1HD PHE 43 -3.120 3.147 1.055 319 HE1 PHE 43 2HE PHE 43 1.316 1.128 1.726 320 HE2 PHE 43 1HE PHE 43 -1.137 4.587 1.281 321 HZ PHE 43 HZ PHE 43 1.084 3.578 1.618 322 H CYS 44 H CYS 44 -5.624 -0.612 0.007 323 HA CYS 44 HA CYS 44 -6.159 -2.960 1.478 324 HB2 CYS 44 1HB CYS 44 -7.825 -1.212 -0.315 325 HB3 CYS 44 2HB CYS 44 -8.488 -2.682 0.388 326 HG CYS 44 HG CYS 44 -7.835 0.274 1.832 327 H ALA 45 H ALA 45 -5.859 -2.313 -1.967 328 HA ALA 45 HA ALA 45 -6.860 -4.743 -2.942 329 HB1 ALA 45 1HB ALA 45 -6.000 -4.132 -5.007 330 HB2 ALA 45 2HB ALA 45 -6.221 -2.578 -4.201 331 HB3 ALA 45 3HB ALA 45 -4.615 -3.301 -4.297 332 H ILE 46 H ILE 46 -3.539 -3.788 -2.110 333 HA ILE 46 HA ILE 46 -2.234 -6.127 -2.851 334 HB ILE 46 HB ILE 46 -1.616 -4.166 -0.647 335 HG12 ILE 46 1HG1 ILE 46 -0.117 -4.614 -3.220 336 HG13 ILE 46 2HG1 ILE 46 -1.523 -3.557 -3.151 337 HG21 ILE 46 1HG2 ILE 46 0.597 -5.176 -0.493 338 HG22 ILE 46 2HG2 ILE 46 -0.658 -6.341 -0.072 339 HG23 ILE 46 3HG2 ILE 46 0.121 -6.417 -1.652 340 HD11 ILE 46 1HD1 ILE 46 -0.433 -2.117 -1.583 341 HD12 ILE 46 2HD1 ILE 46 0.928 -3.230 -1.441 342 HD13 ILE 46 3HD1 ILE 46 0.641 -2.377 -2.958 343 H LEU 47 H LEU 47 -3.302 -5.247 0.441 344 HA LEU 47 HA LEU 47 -2.752 -7.661 1.677 345 HB2 LEU 47 1HB LEU 47 -3.410 -5.563 2.817 346 HB3 LEU 47 2HB LEU 47 -5.068 -5.829 2.281 347 HG LEU 47 HG LEU 47 -5.139 -7.898 3.626 348 HD11 LEU 47 1HD1 LEU 47 -3.142 -8.805 4.076 349 HD12 LEU 47 2HD1 LEU 47 -3.120 -7.690 5.441 350 HD13 LEU 47 3HD1 LEU 47 -2.298 -7.263 3.940 351 HD21 LEU 47 1HD2 LEU 47 -4.252 -5.724 5.469 352 HD22 LEU 47 2HD2 LEU 47 -5.630 -6.818 5.598 353 HD23 LEU 47 3HD2 LEU 47 -5.672 -5.478 4.452 354 H HIS 48 H HIS 48 -5.447 -6.764 -0.352 355 HA HIS 48 HA HIS 48 -7.071 -9.026 0.303 356 HB2 HIS 48 1HB HIS 48 -7.998 -6.906 -0.600 357 HB3 HIS 48 2HB HIS 48 -7.197 -7.236 -2.134 358 HD1 HIS 48 1HD HIS 48 -7.944 -9.820 -3.060 359 HD2 HIS 48 2HD HIS 48 -10.578 -7.667 -0.675 360 HE1 HIS 48 1HE HIS 48 -10.211 -10.820 -3.489 361 HE2 HIS 48 2HE HIS 48 -11.800 -9.445 -2.100 362 H HIS 49 H HIS 49 -4.634 -8.307 -2.112 363 HA HIS 49 HA HIS 49 -5.065 -10.352 -3.929 364 HB2 HIS 49 1HB HIS 49 -3.355 -8.460 -4.043 365 HB3 HIS 49 2HB HIS 49 -2.315 -9.477 -3.050 366 HD1 HIS 49 1HD HIS 49 -4.415 -10.329 -6.112 367 HD2 HIS 49 2HD HIS 49 -0.493 -10.512 -4.753 368 HE1 HIS 49 1HE HIS 49 -3.125 -11.485 -7.935 369 HE2 HIS 49 2HE HIS 49 -0.772 -11.660 -7.054 370 H PHE 50 H PHE 50 -3.126 -10.418 -0.951 371 HA PHE 50 HA PHE 50 -2.476 -13.197 -1.242 372 HB2 PHE 50 1HB PHE 50 -2.221 -11.433 1.202 373 HB3 PHE 50 2HB PHE 50 -1.426 -12.982 0.944 374 HD1 PHE 50 1HD PHE 50 0.397 -13.185 -0.683 375 HD2 PHE 50 2HD PHE 50 -1.394 -9.428 0.211 376 HE1 PHE 50 1HE PHE 50 2.312 -12.031 -1.709 377 HE2 PHE 50 2HE PHE 50 0.518 -8.269 -0.815 378 HZ PHE 50 HZ PHE 50 2.374 -9.570 -1.777 379 H ARG 51 H ARG 51 -4.704 -11.324 0.783 380 HA ARG 51 HA ARG 51 -6.210 -13.800 1.272 381 HB2 ARG 51 1HB ARG 51 -5.075 -11.910 3.254 382 HB3 ARG 51 2HB ARG 51 -6.711 -12.476 3.562 383 HG2 ARG 51 1HG ARG 51 -4.208 -14.117 3.303 384 HG3 ARG 51 2HG ARG 51 -5.246 -13.927 4.718 385 HD2 ARG 51 1HD ARG 51 -7.070 -14.894 3.075 386 HD3 ARG 51 2HD ARG 51 -5.653 -15.553 2.258 387 HE ARG 51 HE ARG 51 -5.497 -16.116 5.012 388 HH11 ARG 51 1HH1 ARG 51 -7.290 -17.019 2.167 389 HH12 ARG 51 2HH1 ARG 51 -7.643 -18.616 2.737 390 HH21 ARG 51 1HH2 ARG 51 -5.955 -18.217 5.773 391 HH22 ARG 51 2HH2 ARG 51 -6.884 -19.297 4.788 392 HA PRO 52 HA PRO 52 -9.139 -10.807 -0.491 393 HB2 PRO 52 1HB PRO 52 -10.846 -12.709 -1.407 394 HB3 PRO 52 2HB PRO 52 -9.391 -12.222 -2.284 395 HG2 PRO 52 1HG PRO 52 -9.831 -14.597 -0.515 396 HG3 PRO 52 2HG PRO 52 -8.995 -14.504 -2.076 397 HD2 PRO 52 1HD PRO 52 -7.671 -14.554 0.285 398 HD3 PRO 52 2HD PRO 52 -7.061 -13.678 -1.133 399 H ASP 53 H ASP 53 -9.153 -12.689 2.201 400 HA ASP 53 HA ASP 53 -11.923 -11.941 2.873 401 HB2 ASP 53 1HB ASP 53 -10.351 -14.411 3.546 402 HB3 ASP 53 2HB ASP 53 -11.677 -13.886 4.580 403 H LEU 54 H LEU 54 -9.427 -10.416 3.203 404 HA LEU 54 HA LEU 54 -9.286 -10.292 6.140 405 HB2 LEU 54 1HB LEU 54 -7.324 -9.788 3.975 406 HB3 LEU 54 2HB LEU 54 -7.219 -8.776 5.415 407 HG LEU 54 HG LEU 54 -7.078 -11.790 5.404 408 HD11 LEU 54 1HD1 LEU 54 -4.806 -11.683 5.383 409 HD12 LEU 54 2HD1 LEU 54 -4.761 -10.073 6.099 410 HD13 LEU 54 3HD1 LEU 54 -5.160 -10.268 4.392 411 HD21 LEU 54 1HD2 LEU 54 -7.354 -11.663 7.600 412 HD22 LEU 54 2HD2 LEU 54 -7.587 -9.919 7.476 413 HD23 LEU 54 3HD2 LEU 54 -5.968 -10.577 7.718 414 H ILE 55 H ILE 55 -9.724 -8.397 3.206 415 HA ILE 55 HA ILE 55 -10.688 -6.168 4.876 416 HB ILE 55 HB ILE 55 -9.729 -5.622 2.114 417 HG12 ILE 55 1HG1 ILE 55 -7.450 -5.129 3.423 418 HG13 ILE 55 2HG1 ILE 55 -8.015 -6.488 4.389 419 HG21 ILE 55 1HG2 ILE 55 -10.314 -4.170 4.574 420 HG22 ILE 55 2HG2 ILE 55 -8.808 -3.671 3.806 421 HG23 ILE 55 3HG2 ILE 55 -10.320 -3.614 2.901 422 HD11 ILE 55 1HD1 ILE 55 -6.987 -7.752 2.876 423 HD12 ILE 55 2HD1 ILE 55 -8.362 -7.393 1.831 424 HD13 ILE 55 3HD1 ILE 55 -6.887 -6.434 1.710 425 H ASP 56 H ASP 56 -11.968 -4.600 3.211 426 HA ASP 56 HA ASP 56 -14.002 -6.323 1.956 427 HB2 ASP 56 1HB ASP 56 -14.375 -3.566 3.145 428 HB3 ASP 56 2HB ASP 56 -15.640 -4.583 2.460 429 H TYR 57 H TYR 57 -11.572 -5.266 0.708 430 HA TYR 57 HA TYR 57 -11.975 -3.021 -0.865 431 HB2 TYR 57 1HB TYR 57 -9.833 -4.275 -0.666 432 HB3 TYR 57 2HB TYR 57 -10.510 -5.537 -1.690 433 HD1 TYR 57 2HD TYR 57 -11.277 -4.844 -4.048 434 HD2 TYR 57 1HD TYR 57 -8.732 -2.452 -1.618 435 HE1 TYR 57 2HE TYR 57 -10.514 -3.634 -6.049 436 HE2 TYR 57 1HE TYR 57 -7.963 -1.234 -3.612 437 HH TYR 57 HH TYR 57 -8.766 -2.275 -6.823 438 H LYS 58 H LYS 58 -13.348 -6.188 -1.137 439 HA LYS 58 HA LYS 58 -14.093 -6.171 -3.844 440 HB2 LYS 58 1HB LYS 58 -15.509 -7.985 -3.332 441 HB3 LYS 58 2HB LYS 58 -14.171 -8.117 -2.198 442 HG2 LYS 58 1HG LYS 58 -15.888 -8.450 -0.760 443 HG3 LYS 58 2HG LYS 58 -15.810 -6.688 -0.681 444 HD2 LYS 58 1HD LYS 58 -17.570 -6.556 -2.398 445 HD3 LYS 58 2HD LYS 58 -17.666 -8.318 -2.417 446 HE2 LYS 58 1HE LYS 58 -18.506 -8.396 -0.217 447 HE3 LYS 58 2HE LYS 58 -18.057 -6.721 0.099 448 HZ1 LYS 58 1HZ LYS 58 -20.456 -7.757 -1.022 449 HZ2 LYS 58 2HZ LYS 58 -19.752 -6.623 -2.060 450 HZ3 LYS 58 3HZ LYS 58 -20.122 -6.194 -0.466 451 H SER 59 H SER 59 -15.290 -4.410 -1.156 452 HA SER 59 HA SER 59 -17.460 -3.353 -2.835 453 HB2 SER 59 1HB SER 59 -18.563 -4.783 -1.252 454 HB3 SER 59 2HB SER 59 -17.625 -4.119 0.086 455 HG SER 59 HG SER 59 -19.245 -2.798 0.280 456 H LEU 60 H LEU 60 -14.717 -2.430 -2.189 457 HA LEU 60 HA LEU 60 -15.193 -0.064 -0.553 458 HB2 LEU 60 1HB LEU 60 -12.773 -1.389 -1.698 459 HB3 LEU 60 2HB LEU 60 -12.691 0.300 -1.201 460 HG LEU 60 HG LEU 60 -13.133 -2.136 0.501 461 HD11 LEU 60 1HD1 LEU 60 -11.154 -1.566 1.528 462 HD12 LEU 60 2HD1 LEU 60 -11.275 0.131 1.063 463 HD13 LEU 60 3HD1 LEU 60 -10.836 -1.083 -0.139 464 HD21 LEU 60 1HD2 LEU 60 -14.756 -0.788 1.433 465 HD22 LEU 60 2HD2 LEU 60 -13.901 0.702 1.033 466 HD23 LEU 60 3HD2 LEU 60 -13.327 -0.318 2.353 467 H ASN 61 H ASN 61 -13.708 1.874 -1.585 468 HA ASN 61 HA ASN 61 -13.916 2.259 -4.380 469 HB2 ASN 61 1HB ASN 61 -16.158 3.248 -2.665 470 HB3 ASN 61 2HB ASN 61 -15.640 4.226 -4.034 471 HD21 ASN 61 1HD2 ASN 61 -15.032 2.385 -5.912 472 HD22 ASN 61 2HD2 ASN 61 -16.438 1.479 -6.344 473 HA PRO 62 HA PRO 62 -11.127 5.526 -3.486 474 HB2 PRO 62 1HB PRO 62 -11.641 7.287 -5.487 475 HB3 PRO 62 2HB PRO 62 -10.814 5.747 -5.751 476 HG2 PRO 62 1HG PRO 62 -13.686 6.460 -6.210 477 HG3 PRO 62 2HG PRO 62 -12.590 5.515 -7.236 478 HD2 PRO 62 1HD PRO 62 -14.428 4.361 -5.618 479 HD3 PRO 62 2HD PRO 62 -12.866 3.600 -5.984 480 H GLN 63 H GLN 63 -14.360 5.853 -2.964 481 HA GLN 63 HA GLN 63 -14.482 8.694 -2.519 482 HB2 GLN 63 1HB GLN 63 -16.708 8.146 -1.493 483 HB3 GLN 63 2HB GLN 63 -16.517 7.624 -3.162 484 HG2 GLN 63 1HG GLN 63 -17.645 5.956 -1.754 485 HG3 GLN 63 2HG GLN 63 -16.148 5.356 -2.465 486 HE21 GLN 63 1HE2 GLN 63 -15.380 3.937 -1.056 487 HE22 GLN 63 2HE2 GLN 63 -15.127 4.227 0.628 488 H ASP 64 H ASP 64 -13.142 6.143 -0.847 489 HA ASP 64 HA ASP 64 -13.387 7.566 1.723 490 HB2 ASP 64 1HB ASP 64 -13.327 4.658 1.054 491 HB3 ASP 64 2HB ASP 64 -12.600 5.178 2.572 492 H ILE 65 H ILE 65 -11.609 8.690 2.140 493 HA ILE 65 HA ILE 65 -9.034 7.769 1.107 494 HB ILE 65 HB ILE 65 -9.712 10.378 2.469 495 HG12 ILE 65 1HG1 ILE 65 -9.528 9.612 -0.445 496 HG13 ILE 65 2HG1 ILE 65 -10.906 10.305 0.401 497 HG21 ILE 65 1HG2 ILE 65 -7.294 9.417 2.437 498 HG22 ILE 65 2HG2 ILE 65 -7.320 9.910 0.745 499 HG23 ILE 65 3HG2 ILE 65 -7.570 11.107 2.016 500 HD11 ILE 65 1HD1 ILE 65 -9.863 12.416 0.557 501 HD12 ILE 65 2HD1 ILE 65 -8.305 11.761 0.052 502 HD13 ILE 65 3HD1 ILE 65 -9.635 11.861 -1.102 503 H LYS 66 H LYS 66 -10.498 8.828 4.170 504 HA LYS 66 HA LYS 66 -8.204 8.100 5.723 505 HB2 LYS 66 1HB LYS 66 -9.670 9.884 6.481 506 HB3 LYS 66 2HB LYS 66 -11.035 8.777 6.539 507 HG2 LYS 66 1HG LYS 66 -9.863 7.489 8.296 508 HG3 LYS 66 2HG LYS 66 -8.581 8.702 8.281 509 HD2 LYS 66 1HD LYS 66 -11.450 9.019 9.117 510 HD3 LYS 66 2HD LYS 66 -9.990 9.313 10.065 511 HE2 LYS 66 1HE LYS 66 -10.588 11.461 9.527 512 HE3 LYS 66 2HE LYS 66 -9.506 11.080 8.188 513 HZ1 LYS 66 1HZ LYS 66 -11.959 12.062 7.872 514 HZ2 LYS 66 2HZ LYS 66 -12.299 10.408 7.778 515 HZ3 LYS 66 3HZ LYS 66 -11.184 11.104 6.713 516 H GLU 67 H GLU 67 -11.462 6.725 5.318 517 HA GLU 67 HA GLU 67 -11.135 4.521 7.004 518 HB2 GLU 67 1HB GLU 67 -13.312 5.245 6.123 519 HB3 GLU 67 2HB GLU 67 -12.830 4.738 4.510 520 HG2 GLU 67 1HG GLU 67 -13.057 2.516 4.985 521 HG3 GLU 67 2HG GLU 67 -12.745 2.739 6.706 522 H ASN 68 H ASN 68 -11.069 4.447 3.436 523 HA ASN 68 HA ASN 68 -10.246 1.969 2.896 524 HB2 ASN 68 1HB ASN 68 -9.382 4.579 1.699 525 HB3 ASN 68 2HB ASN 68 -8.667 3.077 1.119 526 HD21 ASN 68 1HD2 ASN 68 -9.770 4.041 -0.851 527 HD22 ASN 68 2HD2 ASN 68 -11.386 3.510 -1.155 528 H ASN 69 H ASN 69 -7.912 4.558 3.664 529 HA ASN 69 HA ASN 69 -5.649 2.916 3.776 530 HB2 ASN 69 1HB ASN 69 -6.332 5.614 4.881 531 HB3 ASN 69 2HB ASN 69 -4.833 4.835 5.379 532 HD21 ASN 69 1HD2 ASN 69 -6.628 6.141 2.689 533 HD22 ASN 69 2HD2 ASN 69 -5.281 6.318 1.622 534 H LYS 70 H LYS 70 -7.792 4.036 6.382 535 HA LYS 70 HA LYS 70 -6.505 2.910 8.551 536 HB2 LYS 70 1HB LYS 70 -8.376 4.378 8.882 537 HB3 LYS 70 2HB LYS 70 -9.456 3.284 8.028 538 HG2 LYS 70 1HG LYS 70 -9.500 1.759 9.790 539 HG3 LYS 70 2HG LYS 70 -8.049 2.435 10.533 540 HD2 LYS 70 1HD LYS 70 -9.185 4.239 11.422 541 HD3 LYS 70 2HD LYS 70 -10.481 4.143 10.228 542 HE2 LYS 70 1HE LYS 70 -11.464 2.286 11.302 543 HE3 LYS 70 2HE LYS 70 -10.035 2.007 12.296 544 HZ1 LYS 70 1HZ LYS 70 -10.819 4.569 12.880 545 HZ2 LYS 70 2HZ LYS 70 -11.048 3.201 13.849 546 HZ3 LYS 70 3HZ LYS 70 -12.269 3.701 12.790 547 H LYS 71 H LYS 71 -8.873 1.412 6.377 548 HA LYS 71 HA LYS 71 -9.288 -1.000 7.599 549 HB2 LYS 71 1HB LYS 71 -8.977 -0.358 4.668 550 HB3 LYS 71 2HB LYS 71 -9.478 -1.942 5.244 551 HG2 LYS 71 1HG LYS 71 -11.295 -0.580 6.531 552 HG3 LYS 71 2HG LYS 71 -10.940 0.653 5.319 553 HD2 LYS 71 1HD LYS 71 -11.787 -0.596 3.602 554 HD3 LYS 71 2HD LYS 71 -11.394 -2.130 4.380 555 HE2 LYS 71 1HE LYS 71 -13.702 -2.078 4.528 556 HE3 LYS 71 2HE LYS 71 -13.211 -1.436 6.095 557 HZ1 LYS 71 1HZ LYS 71 -14.936 -0.249 4.374 558 HZ2 LYS 71 2HZ LYS 71 -13.497 0.591 4.084 559 HZ3 LYS 71 3HZ LYS 71 -14.137 0.525 5.649 560 H ALA 72 H ALA 72 -6.694 -0.322 5.245 561 HA ALA 72 HA ALA 72 -5.400 -2.786 5.439 562 HB1 ALA 72 1HB ALA 72 -4.524 -1.694 3.678 563 HB2 ALA 72 2HB ALA 72 -4.717 -0.110 4.429 564 HB3 ALA 72 3HB ALA 72 -3.345 -1.129 4.861 565 H TYR 73 H TYR 73 -4.262 0.267 6.897 566 HA TYR 73 HA TYR 73 -2.245 -0.517 8.451 567 HB2 TYR 73 1HB TYR 73 -4.503 1.229 9.455 568 HB3 TYR 73 2HB TYR 73 -2.866 1.187 10.100 569 HD1 TYR 73 1HD TYR 73 -1.418 1.025 7.426 570 HD2 TYR 73 2HD TYR 73 -4.588 3.507 8.802 571 HE1 TYR 73 1HE TYR 73 -0.740 2.766 5.827 572 HE2 TYR 73 2HE TYR 73 -3.919 5.255 7.206 573 HH TYR 73 HH TYR 73 -1.525 5.830 6.004 574 H ASP 74 H ASP 74 -5.653 -0.911 9.383 575 HA ASP 74 HA ASP 74 -5.238 -2.120 11.862 576 HB2 ASP 74 1HB ASP 74 -7.429 -1.279 10.945 577 HB3 ASP 74 2HB ASP 74 -7.510 -2.744 9.971 578 H GLY 75 H GLY 75 -5.583 -3.591 8.646 579 HA2 GLY 75 1HA GLY 75 -5.298 -6.268 9.611 580 HA3 GLY 75 2HA GLY 75 -5.228 -5.754 7.932 581 H PHE 76 H PHE 76 -3.121 -4.205 7.678 582 HA PHE 76 HA PHE 76 -0.942 -5.880 7.570 583 HB2 PHE 76 1HB PHE 76 -1.138 -2.878 7.678 584 HB3 PHE 76 2HB PHE 76 0.417 -3.690 7.527 585 HD1 PHE 76 1HD PHE 76 -0.025 -5.838 5.701 586 HD2 PHE 76 2HD PHE 76 -1.694 -1.923 5.669 587 HE1 PHE 76 1HE PHE 76 -0.344 -5.998 3.267 588 HE2 PHE 76 2HE PHE 76 -2.017 -2.077 3.235 589 HZ PHE 76 HZ PHE 76 -1.342 -4.116 2.031 590 H ALA 77 H ALA 77 -1.595 -3.409 10.051 591 HA ALA 77 HA ALA 77 0.645 -4.071 11.655 592 HB1 ALA 77 1HB ALA 77 -1.087 -1.996 11.605 593 HB2 ALA 77 2HB ALA 77 -1.671 -2.878 13.017 594 HB3 ALA 77 3HB ALA 77 0.007 -2.342 12.944 595 H SER 78 H SER 78 -2.160 -5.765 11.055 596 HA SER 78 HA SER 78 -2.648 -6.841 13.660 597 HB2 SER 78 1HB SER 78 -4.259 -6.726 11.633 598 HB3 SER 78 2HB SER 78 -3.449 -8.197 11.096 599 HG SER 78 HG SER 78 -4.261 -9.282 12.771 600 H ILE 79 H ILE 79 -0.792 -7.848 10.840 601 HA ILE 79 HA ILE 79 -0.058 -10.377 12.033 602 HB ILE 79 HB ILE 79 1.536 -10.443 10.012 603 HG12 ILE 79 1HG1 ILE 79 -0.293 -8.276 8.989 604 HG13 ILE 79 2HG1 ILE 79 1.283 -7.914 9.683 605 HG21 ILE 79 1HG2 ILE 79 -0.332 -11.832 9.929 606 HG22 ILE 79 2HG2 ILE 79 -1.456 -10.476 9.872 607 HG23 ILE 79 3HG2 ILE 79 -0.472 -10.864 8.462 608 HD11 ILE 79 1HD1 ILE 79 1.354 -9.981 7.628 609 HD12 ILE 79 2HD1 ILE 79 0.790 -8.411 7.054 610 HD13 ILE 79 3HD1 ILE 79 2.362 -8.549 7.841 611 H GLY 80 H GLY 80 1.278 -7.171 11.724 612 HA2 GLY 80 1HA GLY 80 2.905 -6.874 13.714 613 HA3 GLY 80 2HA GLY 80 3.834 -8.092 12.851 614 H ILE 81 H ILE 81 1.985 -5.571 11.264 615 HA ILE 81 HA ILE 81 4.512 -4.473 10.236 616 HB ILE 81 HB ILE 81 1.734 -4.189 9.084 617 HG12 ILE 81 1HG1 ILE 81 4.031 -6.022 8.400 618 HG13 ILE 81 2HG1 ILE 81 2.382 -6.467 8.824 619 HG21 ILE 81 1HG2 ILE 81 3.796 -2.498 8.707 620 HG22 ILE 81 2HG2 ILE 81 4.128 -3.681 7.443 621 HG23 ILE 81 3HG2 ILE 81 2.577 -2.843 7.481 622 HD11 ILE 81 1HD1 ILE 81 2.261 -6.752 6.586 623 HD12 ILE 81 2HD1 ILE 81 1.861 -5.035 6.649 624 HD13 ILE 81 3HD1 ILE 81 3.502 -5.545 6.251 625 H SER 82 H SER 82 5.101 -2.860 11.577 626 HA SER 82 HA SER 82 3.427 -1.192 13.046 627 HB2 SER 82 1HB SER 82 6.253 -0.878 12.055 628 HB3 SER 82 2HB SER 82 5.466 0.399 12.984 629 HG SER 82 HG SER 82 4.975 -1.562 14.447 630 H ARG 83 H ARG 83 1.879 0.069 12.260 631 HA ARG 83 HA ARG 83 1.841 1.077 9.612 632 HB2 ARG 83 1HB ARG 83 -0.155 2.316 10.328 633 HB3 ARG 83 2HB ARG 83 -0.217 0.638 10.848 634 HG2 ARG 83 1HG ARG 83 0.803 1.597 13.057 635 HG3 ARG 83 2HG ARG 83 0.120 3.113 12.465 636 HD2 ARG 83 1HD ARG 83 -1.594 0.681 12.446 637 HD3 ARG 83 2HD ARG 83 -1.273 1.468 13.991 638 HE ARG 83 HE ARG 83 -3.084 2.344 12.037 639 HH11 ARG 83 1HH1 ARG 83 -0.617 3.597 14.149 640 HH12 ARG 83 2HH1 ARG 83 -1.337 5.168 14.273 641 HH21 ARG 83 1HH2 ARG 83 -4.042 4.408 12.192 642 HH22 ARG 83 2HH2 ARG 83 -3.286 5.627 13.160 643 H LEU 84 H LEU 84 3.430 2.450 9.031 644 HA LEU 84 HA LEU 84 4.406 4.504 10.788 645 HB2 LEU 84 1HB LEU 84 4.908 4.108 7.843 646 HB3 LEU 84 2HB LEU 84 5.831 5.143 8.930 647 HG LEU 84 HG LEU 84 5.684 2.135 9.127 648 HD11 LEU 84 1HD1 LEU 84 8.275 3.133 8.491 649 HD12 LEU 84 2HD1 LEU 84 7.120 3.747 7.308 650 HD13 LEU 84 3HD1 LEU 84 7.263 2.011 7.581 651 HD21 LEU 84 1HD2 LEU 84 7.070 4.272 10.689 652 HD22 LEU 84 2HD2 LEU 84 7.808 2.678 10.531 653 HD23 LEU 84 3HD2 LEU 84 6.209 2.842 11.260 654 H LEU 85 H LEU 85 2.526 4.452 7.770 655 HA LEU 85 HA LEU 85 2.035 7.297 7.913 656 HB2 LEU 85 1HB LEU 85 2.331 5.939 5.787 657 HB3 LEU 85 2HB LEU 85 0.707 5.320 6.077 658 HG LEU 85 HG LEU 85 -0.131 7.669 5.972 659 HD11 LEU 85 1HD1 LEU 85 1.209 9.439 5.730 660 HD12 LEU 85 2HD1 LEU 85 2.224 8.626 4.539 661 HD13 LEU 85 3HD1 LEU 85 2.500 8.361 6.261 662 HD21 LEU 85 1HD2 LEU 85 1.311 6.568 3.564 663 HD22 LEU 85 2HD2 LEU 85 0.110 7.858 3.509 664 HD23 LEU 85 3HD2 LEU 85 -0.354 6.243 4.049 665 H GLU 86 H GLU 86 -0.080 8.238 8.031 666 HA GLU 86 HA GLU 86 -1.956 6.608 9.613 667 HB2 GLU 86 1HB GLU 86 -1.454 9.587 9.655 668 HB3 GLU 86 2HB GLU 86 -2.765 8.799 10.521 669 HG2 GLU 86 1HG GLU 86 -1.228 8.929 12.185 670 HG3 GLU 86 2HG GLU 86 -0.800 7.358 11.510 671 HA PRO 87 HA PRO 87 -4.956 7.056 6.427 672 HB2 PRO 87 1HB PRO 87 -7.213 6.721 7.898 673 HB3 PRO 87 2HB PRO 87 -6.122 5.390 7.496 674 HG2 PRO 87 1HG PRO 87 -6.324 6.975 10.027 675 HG3 PRO 87 2HG PRO 87 -6.124 5.226 9.816 676 HD2 PRO 87 1HD PRO 87 -4.056 6.865 10.421 677 HD3 PRO 87 2HD PRO 87 -3.859 5.403 9.433 678 H SER 88 H SER 88 -5.720 8.783 9.452 679 HA SER 88 HA SER 88 -7.493 10.643 8.342 680 HB2 SER 88 1HB SER 88 -5.700 10.874 10.770 681 HB3 SER 88 2HB SER 88 -6.988 12.012 10.375 682 HG SER 88 HG SER 88 -8.480 10.510 10.816 683 H ASP 89 H ASP 89 -4.003 10.894 8.961 684 HA ASP 89 HA ASP 89 -3.472 13.462 8.256 685 HB2 ASP 89 1HB ASP 89 -1.876 11.473 8.860 686 HB3 ASP 89 2HB ASP 89 -1.730 11.309 7.113 687 H MET 90 H MET 90 -3.774 10.743 5.980 688 HA MET 90 HA MET 90 -3.258 11.995 3.606 689 HB2 MET 90 1HB MET 90 -5.477 9.998 4.084 690 HB3 MET 90 2HB MET 90 -4.723 10.355 2.537 691 HG2 MET 90 1HG MET 90 -3.194 9.289 4.891 692 HG3 MET 90 2HG MET 90 -3.965 8.253 3.692 693 HE1 MET 90 1HE MET 90 -1.877 7.014 2.941 694 HE2 MET 90 2HE MET 90 -2.835 7.508 1.545 695 HE3 MET 90 3HE MET 90 -1.077 7.649 1.502 696 H VAL 91 H VAL 91 -6.223 12.137 5.506 697 HA VAL 91 HA VAL 91 -7.643 13.679 3.531 698 HB VAL 91 HB VAL 91 -8.365 13.253 6.432 699 HG11 VAL 91 1HG1 VAL 91 -10.406 13.616 4.322 700 HG12 VAL 91 2HG1 VAL 91 -10.387 14.179 5.995 701 HG13 VAL 91 3HG1 VAL 91 -9.459 15.037 4.764 702 HG21 VAL 91 1HG2 VAL 91 -9.952 11.524 5.286 703 HG22 VAL 91 2HG2 VAL 91 -8.729 11.535 4.015 704 HG23 VAL 91 3HG2 VAL 91 -8.287 11.080 5.661 705 H LEU 92 H LEU 92 -6.143 14.332 6.682 706 HA LEU 92 HA LEU 92 -6.815 16.967 7.040 707 HB2 LEU 92 1HB LEU 92 -4.111 15.753 7.589 708 HB3 LEU 92 2HB LEU 92 -4.775 17.204 8.337 709 HG LEU 92 HG LEU 92 -5.821 14.395 8.692 710 HD11 LEU 92 1HD1 LEU 92 -4.581 16.102 10.814 711 HD12 LEU 92 2HD1 LEU 92 -3.582 15.103 9.759 712 HD13 LEU 92 3HD1 LEU 92 -4.811 14.354 10.778 713 HD21 LEU 92 1HD2 LEU 92 -7.705 15.677 8.995 714 HD22 LEU 92 2HD2 LEU 92 -6.795 17.076 9.567 715 HD23 LEU 92 3HD2 LEU 92 -7.028 15.682 10.624 716 H LEU 93 H LEU 93 -3.801 15.860 5.477 717 HA LEU 93 HA LEU 93 -3.436 18.489 4.295 718 HB2 LEU 93 1HB LEU 93 -1.291 17.666 3.561 719 HB3 LEU 93 2HB LEU 93 -1.527 17.299 5.269 720 HG LEU 93 HG LEU 93 -2.328 14.973 4.274 721 HD11 LEU 93 1HD1 LEU 93 -0.530 16.134 2.161 722 HD12 LEU 93 2HD1 LEU 93 -2.137 15.435 1.964 723 HD13 LEU 93 3HD1 LEU 93 -0.770 14.400 2.375 724 HD21 LEU 93 1HD2 LEU 93 -0.020 15.979 5.503 725 HD22 LEU 93 2HD2 LEU 93 0.544 14.954 4.183 726 HD23 LEU 93 3HD2 LEU 93 -0.543 14.297 5.408 727 H ALA 94 H ALA 94 -2.415 18.228 1.913 728 HA ALA 94 HA ALA 94 -4.586 17.072 0.330 729 HB1 ALA 94 1HB ALA 94 -3.142 18.407 -1.491 730 HB2 ALA 94 2HB ALA 94 -4.383 19.167 -0.494 731 HB3 ALA 94 3HB ALA 94 -2.684 19.300 -0.040 732 H ILE 95 H ILE 95 -1.061 17.413 -0.119 733 HA ILE 95 HA ILE 95 -1.064 14.756 -1.386 734 HB ILE 95 HB ILE 95 0.927 17.006 -1.702 735 HG12 ILE 95 1HG1 ILE 95 -1.112 17.551 -2.853 736 HG13 ILE 95 2HG1 ILE 95 0.057 17.021 -4.058 737 HG21 ILE 95 1HG2 ILE 95 2.135 15.002 -1.945 738 HG22 ILE 95 2HG2 ILE 95 0.826 14.225 -2.833 739 HG23 ILE 95 3HG2 ILE 95 1.757 15.519 -3.588 740 HD11 ILE 95 1HD1 ILE 95 -2.486 15.810 -3.224 741 HD12 ILE 95 2HD1 ILE 95 -1.676 15.802 -4.791 742 HD13 ILE 95 3HD1 ILE 95 -1.161 14.686 -3.527 743 HA PRO 96 HA PRO 96 1.177 13.371 2.193 744 HB2 PRO 96 1HB PRO 96 1.691 10.871 1.270 745 HB3 PRO 96 2HB PRO 96 0.108 11.361 1.886 746 HG2 PRO 96 1HG PRO 96 1.055 11.142 -0.946 747 HG3 PRO 96 2HG PRO 96 -0.491 10.634 -0.241 748 HD2 PRO 96 1HD PRO 96 -0.213 12.937 -1.638 749 HD3 PRO 96 2HD PRO 96 -1.359 12.768 -0.292 750 H ASP 97 H ASP 97 3.319 12.693 2.735 751 HA ASP 97 HA ASP 97 5.313 13.746 0.942 752 HB2 ASP 97 1HB ASP 97 5.262 12.783 3.762 753 HB3 ASP 97 2HB ASP 97 6.811 12.788 2.923 754 H LYS 98 H LYS 98 5.619 12.444 -0.799 755 HA LYS 98 HA LYS 98 5.459 9.804 -1.176 756 HB2 LYS 98 1HB LYS 98 6.464 11.744 -2.677 757 HB3 LYS 98 2HB LYS 98 7.991 11.049 -2.151 758 HG2 LYS 98 1HG LYS 98 7.336 8.887 -3.054 759 HG3 LYS 98 2HG LYS 98 5.780 9.557 -3.551 760 HD2 LYS 98 1HD LYS 98 7.060 9.622 -5.501 761 HD3 LYS 98 2HD LYS 98 7.176 11.267 -4.873 762 HE2 LYS 98 1HE LYS 98 9.343 10.741 -3.881 763 HE3 LYS 98 2HE LYS 98 9.223 9.086 -4.476 764 HZ1 LYS 98 1HZ LYS 98 9.622 9.725 -6.614 765 HZ2 LYS 98 2HZ LYS 98 10.535 10.894 -5.802 766 HZ3 LYS 98 3HZ LYS 98 9.003 11.285 -6.402 767 H LEU 99 H LEU 99 8.418 11.345 0.086 768 HA LEU 99 HA LEU 99 10.002 9.175 0.510 769 HB2 LEU 99 1HB LEU 99 9.623 11.468 2.430 770 HB3 LEU 99 2HB LEU 99 11.011 10.384 2.381 771 HG LEU 99 HG LEU 99 10.245 12.183 0.090 772 HD11 LEU 99 1HD1 LEU 99 10.810 13.848 1.497 773 HD12 LEU 99 2HD1 LEU 99 12.452 13.328 1.119 774 HD13 LEU 99 3HD1 LEU 99 11.670 12.773 2.599 775 HD21 LEU 99 1HD2 LEU 99 11.960 11.265 -0.988 776 HD22 LEU 99 2HD2 LEU 99 12.012 10.042 0.282 777 HD23 LEU 99 3HD2 LEU 99 13.029 11.479 0.399 778 H THR 100 H THR 100 7.493 10.367 2.729 779 HA THR 100 HA THR 100 7.854 8.399 4.708 780 HB THR 100 HB THR 100 5.349 9.950 4.022 781 HG1 THR 100 1HG THR 100 6.241 11.534 5.118 782 HG21 THR 100 1HG2 THR 100 5.399 9.383 6.748 783 HG22 THR 100 2HG2 THR 100 5.870 7.872 5.969 784 HG23 THR 100 3HG2 THR 100 4.348 8.651 5.537 785 H VAL 101 H VAL 101 5.211 8.641 2.317 786 HA VAL 101 HA VAL 101 4.010 6.215 2.728 787 HB VAL 101 HB VAL 101 4.431 7.565 0.057 788 HG11 VAL 101 1HG1 VAL 101 3.596 5.060 0.297 789 HG12 VAL 101 2HG1 VAL 101 2.064 5.869 0.633 790 HG13 VAL 101 3HG1 VAL 101 2.904 6.165 -0.890 791 HG21 VAL 101 1HG2 VAL 101 2.012 7.738 1.833 792 HG22 VAL 101 2HG2 VAL 101 3.342 8.891 1.934 793 HG23 VAL 101 3HG2 VAL 101 2.421 8.736 0.438 794 H MET 102 H MET 102 6.443 6.803 0.178 795 HA MET 102 HA MET 102 6.834 4.288 -0.749 796 HB2 MET 102 1HB MET 102 8.750 6.547 -0.299 797 HB3 MET 102 2HB MET 102 9.344 5.009 -0.911 798 HG2 MET 102 1HG MET 102 7.580 5.213 -2.719 799 HG3 MET 102 2HG MET 102 7.376 6.879 -2.184 800 HE1 MET 102 1HE MET 102 10.488 4.443 -3.700 801 HE2 MET 102 2HE MET 102 8.829 4.503 -4.296 802 HE3 MET 102 3HE MET 102 10.118 5.309 -5.191 803 H THR 103 H THR 103 8.380 5.667 2.138 804 HA THR 103 HA THR 103 9.988 3.523 2.844 805 HB THR 103 HB THR 103 8.528 5.395 4.718 806 HG1 THR 103 1HG THR 103 10.831 6.300 4.627 807 HG21 THR 103 1HG2 THR 103 10.878 3.551 5.123 808 HG22 THR 103 2HG2 THR 103 9.345 3.559 5.995 809 HG23 THR 103 3HG2 THR 103 10.493 4.879 6.215 810 H TYR 104 H TYR 104 6.682 4.208 3.997 811 HA TYR 104 HA TYR 104 6.326 1.950 5.558 812 HB2 TYR 104 1HB TYR 104 4.745 3.815 5.544 813 HB3 TYR 104 2HB TYR 104 4.261 3.414 3.900 814 HD1 TYR 104 2HD TYR 104 4.665 1.505 7.097 815 HD2 TYR 104 1HD TYR 104 2.170 2.465 3.787 816 HE1 TYR 104 2HE TYR 104 2.926 0.007 7.980 817 HE2 TYR 104 1HE TYR 104 0.424 0.971 4.662 818 HH TYR 104 HH TYR 104 0.775 -0.630 7.790 819 H LEU 105 H LEU 105 5.374 2.379 2.149 820 HA LEU 105 HA LEU 105 4.308 -0.043 1.563 821 HB2 LEU 105 1HB LEU 105 6.036 1.814 -0.002 822 HB3 LEU 105 2HB LEU 105 5.619 0.249 -0.697 823 HG LEU 105 HG LEU 105 3.566 2.242 0.248 824 HD11 LEU 105 1HD1 LEU 105 5.265 2.437 -2.006 825 HD12 LEU 105 2HD1 LEU 105 3.882 3.446 -1.583 826 HD13 LEU 105 3HD1 LEU 105 3.654 2.013 -2.584 827 HD21 LEU 105 1HD2 LEU 105 3.146 -0.325 -0.091 828 HD22 LEU 105 2HD2 LEU 105 3.124 0.120 -1.798 829 HD23 LEU 105 3HD2 LEU 105 1.982 0.864 -0.677 830 H TYR 106 H TYR 106 7.785 0.663 1.165 831 HA TYR 106 HA TYR 106 8.791 -1.732 0.488 832 HB2 TYR 106 1HB TYR 106 9.843 0.315 2.417 833 HB3 TYR 106 2HB TYR 106 10.753 -1.155 2.092 834 HD1 TYR 106 2HD TYR 106 10.888 -1.674 -0.577 835 HD2 TYR 106 1HD TYR 106 10.467 2.167 1.206 836 HE1 TYR 106 2HE TYR 106 11.846 -0.640 -2.592 837 HE2 TYR 106 1HE TYR 106 11.422 3.212 -0.805 838 HH TYR 106 HH TYR 106 13.171 2.054 -2.826 839 H GLN 107 H GLN 107 7.631 -0.854 3.693 840 HA GLN 107 HA GLN 107 8.539 -3.090 5.107 841 HB2 GLN 107 1HB GLN 107 5.965 -1.590 5.605 842 HB3 GLN 107 2HB GLN 107 6.884 -2.530 6.773 843 HG2 GLN 107 1HG GLN 107 8.013 -0.111 5.401 844 HG3 GLN 107 2HG GLN 107 7.099 -0.016 6.905 845 HE21 GLN 107 1HE2 GLN 107 7.904 -1.535 8.644 846 HE22 GLN 107 2HE2 GLN 107 9.617 -1.640 8.842 847 H ILE 108 H ILE 108 5.332 -2.530 3.651 848 HA ILE 108 HA ILE 108 4.266 -5.052 4.188 849 HB ILE 108 HB ILE 108 3.653 -3.193 1.888 850 HG12 ILE 108 1HG1 ILE 108 1.552 -2.944 3.506 851 HG13 ILE 108 2HG1 ILE 108 2.740 -3.410 4.718 852 HG21 ILE 108 1HG2 ILE 108 2.943 -5.507 1.439 853 HG22 ILE 108 2HG2 ILE 108 2.023 -5.499 2.943 854 HG23 ILE 108 3HG2 ILE 108 1.575 -4.410 1.631 855 HD11 ILE 108 1HD1 ILE 108 2.284 -0.867 3.587 856 HD12 ILE 108 2HD1 ILE 108 3.488 -1.336 4.788 857 HD13 ILE 108 3HD1 ILE 108 3.883 -1.401 3.071 858 H ARG 109 H ARG 109 5.619 -3.892 1.093 859 HA ARG 109 HA ARG 109 5.552 -6.295 -0.278 860 HB2 ARG 109 1HB ARG 109 6.058 -4.418 -1.573 861 HB3 ARG 109 2HB ARG 109 7.323 -3.882 -0.475 862 HG2 ARG 109 1HG ARG 109 7.695 -6.470 -1.883 863 HG3 ARG 109 2HG ARG 109 7.880 -4.976 -2.804 864 HD2 ARG 109 1HD ARG 109 9.405 -4.241 -0.848 865 HD3 ARG 109 2HD ARG 109 9.460 -5.960 -0.457 866 HE ARG 109 HE ARG 109 10.824 -6.293 -2.265 867 HH11 ARG 109 1HH1 ARG 109 9.322 -3.164 -2.527 868 HH12 ARG 109 2HH1 ARG 109 10.280 -2.672 -3.884 869 HH21 ARG 109 1HH2 ARG 109 12.093 -5.658 -4.051 870 HH22 ARG 109 2HH2 ARG 109 11.856 -4.092 -4.750 871 H ALA 110 H ALA 110 8.039 -5.038 1.897 872 HA ALA 110 HA ALA 110 9.927 -7.096 1.467 873 HB1 ALA 110 1HB ALA 110 11.008 -6.289 3.484 874 HB2 ALA 110 2HB ALA 110 10.496 -4.932 2.480 875 HB3 ALA 110 3HB ALA 110 9.566 -5.369 3.913 876 H HIS 111 H HIS 111 7.408 -6.655 3.932 877 HA HIS 111 HA HIS 111 7.888 -8.783 5.581 878 HB2 HIS 111 1HB HIS 111 6.047 -7.067 5.794 879 HB3 HIS 111 2HB HIS 111 5.122 -8.020 4.638 880 HD1 HIS 111 1HD HIS 111 6.451 -8.133 8.151 881 HD2 HIS 111 2HD HIS 111 3.917 -10.294 5.666 882 HE1 HIS 111 1HE HIS 111 5.294 -9.790 9.648 883 HE2 HIS 111 2HE HIS 111 3.830 -11.143 8.108 884 H PHE 112 H PHE 112 5.677 -8.909 2.780 885 HA PHE 112 HA PHE 112 5.468 -11.742 2.844 886 HB2 PHE 112 1HB PHE 112 4.729 -9.672 0.778 887 HB3 PHE 112 2HB PHE 112 4.465 -11.394 0.520 888 HD1 PHE 112 1HD PHE 112 3.058 -12.635 2.269 889 HD2 PHE 112 2HD PHE 112 3.145 -8.397 1.887 890 HE1 PHE 112 1HE PHE 112 0.913 -12.486 3.466 891 HE2 PHE 112 2HE PHE 112 1.001 -8.241 3.084 892 HZ PHE 112 HZ PHE 112 -0.117 -10.287 3.877 893 H SER 113 H SER 113 7.228 -9.503 0.714 894 HA SER 113 HA SER 113 8.730 -11.779 -0.370 895 HB2 SER 113 1HB SER 113 7.681 -10.308 -2.028 896 HB3 SER 113 2HB SER 113 8.540 -8.922 -1.357 897 HG SER 113 HG SER 113 9.799 -11.218 -2.451 898 H SER 114 H SER 114 10.409 -12.217 0.933 899 HA SER 114 HA SER 114 11.772 -10.441 2.581 900 HB2 SER 114 1HB SER 114 11.848 -13.063 2.406 901 HB3 SER 114 2HB SER 114 13.226 -12.755 1.351 902 HG SER 114 HG SER 114 14.360 -12.040 3.009 903 H GLY 115 H GLY 115 14.107 -9.823 2.388 904 HA2 GLY 115 1HA GLY 115 14.474 -8.221 0.071 905 HA3 GLY 115 2HA GLY 115 15.651 -8.470 1.352 906 HA PRO 116 HA PRO 116 17.411 -10.394 -2.439 907 HB2 PRO 116 1HB PRO 116 19.952 -9.587 -1.928 908 HB3 PRO 116 2HB PRO 116 18.770 -8.568 -2.758 909 HG2 PRO 116 1HG PRO 116 19.617 -8.533 0.113 910 HG3 PRO 116 2HG PRO 116 19.336 -7.171 -0.987 911 HD2 PRO 116 1HD PRO 116 17.513 -7.956 0.854 912 HD3 PRO 116 2HD PRO 116 17.050 -7.255 -0.710 913 H SER 117 H SER 117 17.717 -12.517 -2.264 914 HA SER 117 HA SER 117 19.057 -13.578 0.121 915 HB2 SER 117 1HB SER 117 17.462 -15.092 -1.957 916 HB3 SER 117 2HB SER 117 18.020 -15.702 -0.400 917 HG SER 117 HG SER 117 15.735 -14.855 -0.666 918 H SER 118 H SER 118 20.944 -14.662 0.012 919 HA SER 118 HA SER 118 22.290 -14.721 -2.585 920 HB2 SER 118 1HB SER 118 23.454 -13.605 -0.722 921 HB3 SER 118 2HB SER 118 23.416 -15.108 0.200 922 HG SER 118 HG SER 118 25.342 -15.219 -0.749 923 H GLY 119 H GLY 119 21.595 -16.555 -3.598 924 HA2 GLY 119 1HA GLY 119 22.248 -19.094 -2.236 925 HA3 GLY 119 2HA GLY 119 20.780 -18.909 -3.183 Start of MODEL 4 1 H1 GLY 1 H GLY 1 6.546 -10.859 -17.074 2 HA2 GLY 1 1HA GLY 1 7.122 -8.264 -17.572 3 HA3 GLY 1 2HA GLY 1 6.518 -8.207 -15.922 4 H SER 2 H SER 2 9.252 -8.371 -17.715 5 HA SER 2 HA SER 2 10.726 -10.001 -15.770 6 HB2 SER 2 1HB SER 2 12.543 -10.018 -17.400 7 HB3 SER 2 2HB SER 2 11.041 -10.527 -18.172 8 HG SER 2 HG SER 2 11.561 -9.024 -19.557 9 H SER 3 H SER 3 11.414 -8.870 -14.076 10 HA SER 3 HA SER 3 11.907 -6.057 -14.172 11 HB2 SER 3 1HB SER 3 12.744 -6.415 -11.820 12 HB3 SER 3 2HB SER 3 11.100 -6.985 -12.109 13 HG SER 3 HG SER 3 13.472 -8.529 -11.950 14 H GLY 4 H GLY 4 13.992 -8.922 -13.853 15 HA2 GLY 4 1HA GLY 4 16.057 -8.777 -15.272 16 HA3 GLY 4 2HA GLY 4 16.289 -7.195 -14.544 17 H SER 5 H SER 5 17.441 -7.049 -12.717 18 HA SER 5 HA SER 5 18.444 -9.539 -11.564 19 HB2 SER 5 1HB SER 5 20.089 -8.035 -10.419 20 HB3 SER 5 2HB SER 5 20.144 -7.935 -12.179 21 HG SER 5 HG SER 5 19.701 -5.983 -10.418 22 H SER 6 H SER 6 17.779 -10.298 -9.668 23 HA SER 6 HA SER 6 15.642 -9.172 -8.249 24 HB2 SER 6 1HB SER 6 17.568 -11.399 -7.746 25 HB3 SER 6 2HB SER 6 16.581 -10.830 -6.400 26 HG SER 6 HG SER 6 14.740 -11.295 -7.598 27 H GLY 7 H GLY 7 15.515 -7.704 -6.667 28 HA2 GLY 7 1HA GLY 7 16.853 -7.097 -4.514 29 HA3 GLY 7 2HA GLY 7 18.029 -6.541 -5.695 30 HA PRO 8 HA PRO 8 14.259 -3.549 -5.034 31 HB2 PRO 8 1HB PRO 8 14.657 -2.489 -2.567 32 HB3 PRO 8 2HB PRO 8 13.623 -3.894 -2.854 33 HG2 PRO 8 1HG PRO 8 16.450 -3.792 -1.875 34 HG3 PRO 8 2HG PRO 8 15.102 -4.791 -1.300 35 HD2 PRO 8 1HD PRO 8 17.022 -5.746 -2.953 36 HD3 PRO 8 2HD PRO 8 15.343 -6.321 -3.007 37 H ASN 9 H ASN 9 17.581 -3.601 -4.933 38 HA ASN 9 HA ASN 9 18.631 -1.229 -4.320 39 HB2 ASN 9 1HB ASN 9 20.117 -2.678 -5.373 40 HB3 ASN 9 2HB ASN 9 19.049 -2.934 -6.750 41 HD21 ASN 9 1HD2 ASN 9 19.680 -2.010 -8.548 42 HD22 ASN 9 2HD2 ASN 9 20.645 -0.583 -8.682 43 H ALA 10 H ALA 10 16.717 -1.801 -7.256 44 HA ALA 10 HA ALA 10 16.677 1.075 -7.793 45 HB1 ALA 10 1HB ALA 10 15.877 0.546 -9.966 46 HB2 ALA 10 2HB ALA 10 17.181 -0.588 -9.610 47 HB3 ALA 10 3HB ALA 10 15.501 -1.112 -9.495 48 H SER 11 H SER 11 14.895 2.321 -7.597 49 HA SER 11 HA SER 11 12.831 1.631 -5.886 50 HB2 SER 11 1HB SER 11 11.650 3.641 -6.808 51 HB3 SER 11 2HB SER 11 13.322 3.950 -6.340 52 HG SER 11 HG SER 11 13.881 3.708 -8.562 53 H GLN 12 H GLN 12 12.720 1.827 -9.442 54 HA GLN 12 HA GLN 12 10.204 1.222 -10.074 55 HB2 GLN 12 1HB GLN 12 11.997 1.375 -11.736 56 HB3 GLN 12 2HB GLN 12 12.612 -0.192 -11.231 57 HG2 GLN 12 1HG GLN 12 11.422 -0.741 -13.111 58 HG3 GLN 12 2HG GLN 12 10.235 -1.033 -11.841 59 HE21 GLN 12 1HE2 GLN 12 8.323 -0.099 -12.034 60 HE22 GLN 12 2HE2 GLN 12 7.936 1.198 -13.107 61 H SER 13 H SER 13 12.525 -1.121 -8.801 62 HA SER 13 HA SER 13 11.250 -3.494 -9.065 63 HB2 SER 13 1HB SER 13 13.349 -3.463 -7.943 64 HB3 SER 13 2HB SER 13 12.737 -2.403 -6.674 65 HG SER 13 HG SER 13 12.540 -5.132 -6.940 66 H LEU 14 H LEU 14 10.614 -1.144 -6.469 67 HA LEU 14 HA LEU 14 8.520 -2.614 -5.272 68 HB2 LEU 14 1HB LEU 14 9.553 -0.963 -3.957 69 HB3 LEU 14 2HB LEU 14 9.328 0.276 -5.190 70 HG LEU 14 HG LEU 14 6.812 -0.014 -4.721 71 HD11 LEU 14 1HD1 LEU 14 7.032 -2.079 -3.411 72 HD12 LEU 14 2HD1 LEU 14 6.251 -0.791 -2.494 73 HD13 LEU 14 3HD1 LEU 14 7.940 -1.194 -2.185 74 HD21 LEU 14 1HD2 LEU 14 7.914 1.153 -2.293 75 HD22 LEU 14 2HD2 LEU 14 6.997 1.905 -3.598 76 HD23 LEU 14 3HD2 LEU 14 8.741 1.694 -3.754 77 H LEU 15 H LEU 15 8.342 0.341 -7.269 78 HA LEU 15 HA LEU 15 5.692 0.665 -7.586 79 HB2 LEU 15 1HB LEU 15 7.616 1.907 -8.711 80 HB3 LEU 15 2HB LEU 15 7.499 0.695 -9.986 81 HG LEU 15 HG LEU 15 4.959 1.495 -9.968 82 HD11 LEU 15 1HD1 LEU 15 5.315 3.077 -8.120 83 HD12 LEU 15 2HD1 LEU 15 4.787 3.879 -9.598 84 HD13 LEU 15 3HD1 LEU 15 6.481 3.953 -9.113 85 HD21 LEU 15 1HD2 LEU 15 7.372 2.512 -11.381 86 HD22 LEU 15 2HD2 LEU 15 5.831 3.328 -11.646 87 HD23 LEU 15 3HD2 LEU 15 5.992 1.609 -12.005 88 H VAL 16 H VAL 16 7.648 -1.761 -9.259 89 HA VAL 16 HA VAL 16 5.547 -2.770 -10.878 90 HB VAL 16 HB VAL 16 8.029 -4.238 -9.980 91 HG11 VAL 16 1HG1 VAL 16 7.506 -5.861 -11.435 92 HG12 VAL 16 2HG1 VAL 16 5.868 -5.212 -11.332 93 HG13 VAL 16 3HG1 VAL 16 6.932 -4.720 -12.650 94 HG21 VAL 16 1HG2 VAL 16 9.210 -2.760 -11.147 95 HG22 VAL 16 2HG2 VAL 16 8.351 -3.281 -12.597 96 HG23 VAL 16 3HG2 VAL 16 7.744 -1.920 -11.653 97 H TRP 17 H TRP 17 7.091 -4.113 -7.954 98 HA TRP 17 HA TRP 17 5.618 -6.342 -7.528 99 HB2 TRP 17 1HB TRP 17 7.386 -5.738 -6.009 100 HB3 TRP 17 2HB TRP 17 6.508 -4.306 -5.479 101 HD1 TRP 17 HD TRP 17 6.394 -8.145 -5.177 102 HE1 TRP 17 1HE TRP 17 5.061 -8.749 -3.059 103 HE3 TRP 17 3HE TRP 17 4.811 -3.468 -3.854 104 HZ2 TRP 17 2HZ TRP 17 3.539 -7.418 -1.089 105 HZ3 TRP 17 3HZ TRP 17 3.419 -3.219 -1.840 106 HH2 TRP 17 HH TRP 17 2.798 -5.155 -0.488 107 H CYS 18 H CYS 18 4.656 -3.062 -6.542 108 HA CYS 18 HA CYS 18 2.192 -3.765 -5.401 109 HB2 CYS 18 1HB CYS 18 2.590 -1.142 -6.803 110 HB3 CYS 18 2HB CYS 18 1.732 -1.479 -5.304 111 HG CYS 18 HG CYS 18 3.669 -0.892 -3.730 112 H LYS 19 H LYS 19 2.971 -2.635 -8.681 113 HA LYS 19 HA LYS 19 0.325 -2.742 -9.661 114 HB2 LYS 19 1HB LYS 19 2.940 -2.957 -11.165 115 HB3 LYS 19 2HB LYS 19 1.370 -2.650 -11.896 116 HG2 LYS 19 1HG LYS 19 1.256 -0.500 -11.072 117 HG3 LYS 19 2HG LYS 19 2.393 -0.830 -9.763 118 HD2 LYS 19 1HD LYS 19 3.751 0.368 -11.158 119 HD3 LYS 19 2HD LYS 19 4.043 -1.255 -11.787 120 HE2 LYS 19 1HE LYS 19 2.787 -0.889 -13.683 121 HE3 LYS 19 2HE LYS 19 1.811 0.367 -12.922 122 HZ1 LYS 19 1HZ LYS 19 3.113 1.758 -14.059 123 HZ2 LYS 19 2HZ LYS 19 4.301 0.590 -14.350 124 HZ3 LYS 19 3HZ LYS 19 4.288 1.436 -12.885 125 H GLU 20 H GLU 20 2.732 -5.168 -9.146 126 HA GLU 20 HA GLU 20 1.682 -7.108 -10.956 127 HB2 GLU 20 1HB GLU 20 4.026 -6.933 -9.735 128 HB3 GLU 20 2HB GLU 20 3.213 -7.916 -8.525 129 HG2 GLU 20 1HG GLU 20 2.882 -9.687 -10.024 130 HG3 GLU 20 2HG GLU 20 3.245 -8.679 -11.423 131 H VAL 21 H VAL 21 1.644 -6.977 -7.388 132 HA VAL 21 HA VAL 21 -0.169 -9.064 -7.007 133 HB VAL 21 HB VAL 21 -0.398 -8.347 -4.767 134 HG11 VAL 21 1HG1 VAL 21 1.746 -8.630 -4.208 135 HG12 VAL 21 2HG1 VAL 21 2.072 -8.625 -5.942 136 HG13 VAL 21 3HG1 VAL 21 2.241 -7.139 -5.008 137 HG21 VAL 21 1HG2 VAL 21 -0.983 -6.215 -4.451 138 HG22 VAL 21 2HG2 VAL 21 0.744 -5.858 -4.467 139 HG23 VAL 21 3HG2 VAL 21 -0.204 -5.692 -5.945 140 H THR 22 H THR 22 -0.685 -5.890 -8.159 141 HA THR 22 HA THR 22 -3.591 -6.165 -7.744 142 HB THR 22 HB THR 22 -3.745 -3.719 -8.035 143 HG1 THR 22 1HG THR 22 -0.970 -4.018 -8.418 144 HG21 THR 22 1HG2 THR 22 -2.367 -3.137 -5.909 145 HG22 THR 22 2HG2 THR 22 -2.030 -4.867 -5.864 146 HG23 THR 22 3HG2 THR 22 -3.694 -4.290 -5.784 147 H LYS 23 H LYS 23 -1.736 -7.175 -9.932 148 HA LYS 23 HA LYS 23 -2.282 -5.715 -12.294 149 HB2 LYS 23 1HB LYS 23 -1.284 -7.490 -13.459 150 HB3 LYS 23 2HB LYS 23 -0.479 -7.498 -11.895 151 HG2 LYS 23 1HG LYS 23 -1.935 -9.321 -11.159 152 HG3 LYS 23 2HG LYS 23 -2.727 -9.318 -12.736 153 HD2 LYS 23 1HD LYS 23 -1.162 -11.036 -12.917 154 HD3 LYS 23 2HD LYS 23 -0.357 -9.666 -13.686 155 HE2 LYS 23 1HE LYS 23 0.698 -9.218 -11.413 156 HE3 LYS 23 2HE LYS 23 0.115 -10.815 -10.947 157 HZ1 LYS 23 1HZ LYS 23 1.922 -10.256 -13.237 158 HZ2 LYS 23 2HZ LYS 23 1.395 -11.783 -12.737 159 HZ3 LYS 23 3HZ LYS 23 2.409 -10.869 -11.737 160 H ASN 24 H ASN 24 -4.063 -8.100 -10.500 161 HA ASN 24 HA ASN 24 -6.078 -8.228 -12.640 162 HB2 ASN 24 1HB ASN 24 -5.694 -10.060 -10.260 163 HB3 ASN 24 2HB ASN 24 -6.912 -10.252 -11.518 164 HD21 ASN 24 1HD2 ASN 24 -4.496 -11.835 -10.569 165 HD22 ASN 24 2HD2 ASN 24 -3.651 -12.208 -12.029 166 H TYR 25 H TYR 25 -5.922 -5.920 -11.056 167 HA TYR 25 HA TYR 25 -8.356 -6.162 -9.411 168 HB2 TYR 25 1HB TYR 25 -5.863 -4.543 -9.025 169 HB3 TYR 25 2HB TYR 25 -7.387 -3.973 -8.354 170 HD1 TYR 25 2HD TYR 25 -5.421 -7.155 -8.507 171 HD2 TYR 25 1HD TYR 25 -7.817 -4.533 -6.163 172 HE1 TYR 25 2HE TYR 25 -5.100 -8.616 -6.555 173 HE2 TYR 25 1HE TYR 25 -7.502 -5.987 -4.204 174 HH TYR 25 HH TYR 25 -6.600 -9.017 -4.289 175 H ARG 26 H ARG 26 -9.263 -3.751 -9.112 176 HA ARG 26 HA ARG 26 -9.479 -2.597 -11.815 177 HB2 ARG 26 1HB ARG 26 -11.630 -3.013 -9.739 178 HB3 ARG 26 2HB ARG 26 -11.834 -1.969 -11.139 179 HG2 ARG 26 1HG ARG 26 -12.803 -3.944 -11.831 180 HG3 ARG 26 2HG ARG 26 -11.175 -4.063 -12.502 181 HD2 ARG 26 1HD ARG 26 -11.669 -6.168 -11.526 182 HD3 ARG 26 2HD ARG 26 -10.537 -5.358 -10.444 183 HE ARG 26 HE ARG 26 -12.176 -5.267 -8.836 184 HH11 ARG 26 1HH1 ARG 26 -13.579 -6.178 -11.889 185 HH12 ARG 26 2HH1 ARG 26 -15.117 -6.592 -11.208 186 HH21 ARG 26 1HH2 ARG 26 -14.197 -5.809 -7.926 187 HH22 ARG 26 2HH2 ARG 26 -15.467 -6.381 -8.953 188 H GLY 27 H GLY 27 -9.221 -0.441 -12.007 189 HA2 GLY 27 1HA GLY 27 -8.776 1.736 -11.433 190 HA3 GLY 27 2HA GLY 27 -9.752 1.457 -9.997 191 H VAL 28 H VAL 28 -6.781 -0.231 -10.880 192 HA VAL 28 HA VAL 28 -5.497 0.966 -8.511 193 HB VAL 28 HB VAL 28 -5.174 -1.826 -9.616 194 HG11 VAL 28 1HG1 VAL 28 -3.096 -1.719 -8.805 195 HG12 VAL 28 2HG1 VAL 28 -3.411 -0.197 -7.968 196 HG13 VAL 28 3HG1 VAL 28 -3.845 -1.729 -7.208 197 HG21 VAL 28 1HG2 VAL 28 -7.135 -1.784 -8.338 198 HG22 VAL 28 2HG2 VAL 28 -5.902 -2.376 -7.224 199 HG23 VAL 28 3HG2 VAL 28 -6.437 -0.697 -7.137 200 H LYS 29 H LYS 29 -4.545 2.626 -9.750 201 HA LYS 29 HA LYS 29 -2.416 1.718 -11.576 202 HB2 LYS 29 1HB LYS 29 -4.297 4.020 -11.698 203 HB3 LYS 29 2HB LYS 29 -2.660 4.285 -12.283 204 HG2 LYS 29 1HG LYS 29 -3.148 2.041 -13.591 205 HG3 LYS 29 2HG LYS 29 -4.818 2.572 -13.382 206 HD2 LYS 29 1HD LYS 29 -4.547 4.404 -14.723 207 HD3 LYS 29 2HD LYS 29 -2.831 4.564 -14.342 208 HE2 LYS 29 1HE LYS 29 -2.202 2.984 -15.899 209 HE3 LYS 29 2HE LYS 29 -3.775 2.188 -15.882 210 HZ1 LYS 29 1HZ LYS 29 -2.836 4.295 -17.557 211 HZ2 LYS 29 2HZ LYS 29 -4.284 4.718 -16.793 212 HZ3 LYS 29 3HZ LYS 29 -4.202 3.313 -17.732 213 H ILE 30 H ILE 30 -0.628 1.652 -10.342 214 HA ILE 30 HA ILE 30 -0.119 3.668 -8.327 215 HB ILE 30 HB ILE 30 1.562 1.335 -9.248 216 HG12 ILE 30 1HG1 ILE 30 0.885 0.715 -6.742 217 HG13 ILE 30 2HG1 ILE 30 -0.499 1.730 -7.133 218 HG21 ILE 30 1HG2 ILE 30 3.262 2.220 -8.132 219 HG22 ILE 30 2HG2 ILE 30 2.280 3.625 -7.718 220 HG23 ILE 30 3HG2 ILE 30 2.290 2.213 -6.661 221 HD11 ILE 30 1HD1 ILE 30 -1.413 -0.113 -7.966 222 HD12 ILE 30 2HD1 ILE 30 -0.295 0.075 -9.318 223 HD13 ILE 30 3HD1 ILE 30 0.126 -0.976 -7.966 224 H THR 31 H THR 31 -0.272 5.161 -10.422 225 HA THR 31 HA THR 31 2.084 5.381 -12.007 226 HB THR 31 HB THR 31 1.168 7.475 -12.816 227 HG1 THR 31 1HG THR 31 -1.041 7.945 -11.727 228 HG21 THR 31 1HG2 THR 31 -0.973 6.702 -13.659 229 HG22 THR 31 2HG2 THR 31 -1.057 5.477 -12.393 230 HG23 THR 31 3HG2 THR 31 0.179 5.368 -13.646 231 H ASN 32 H ASN 32 1.105 6.630 -8.916 232 HA ASN 32 HA ASN 32 3.739 7.876 -8.625 233 HB2 ASN 32 1HB ASN 32 1.287 9.279 -7.586 234 HB3 ASN 32 2HB ASN 32 2.911 9.924 -7.812 235 HD21 ASN 32 1HD2 ASN 32 0.031 10.436 -8.869 236 HD22 ASN 32 2HD2 ASN 32 0.295 10.711 -10.554 237 H PHE 33 H PHE 33 4.077 8.529 -6.251 238 HA PHE 33 HA PHE 33 2.965 6.400 -4.545 239 HB2 PHE 33 1HB PHE 33 5.704 7.618 -4.696 240 HB3 PHE 33 2HB PHE 33 5.147 6.879 -3.198 241 HD1 PHE 33 2HD PHE 33 4.238 4.460 -3.385 242 HD2 PHE 33 1HD PHE 33 6.707 6.316 -6.314 243 HE1 PHE 33 2HE PHE 33 4.888 2.245 -4.236 244 HE2 PHE 33 1HE PHE 33 7.360 4.104 -7.171 245 HZ PHE 33 HZ PHE 33 6.451 2.065 -6.131 246 H THR 34 H THR 34 1.724 8.952 -4.949 247 HA THR 34 HA THR 34 1.880 9.985 -2.198 248 HB THR 34 HB THR 34 1.319 12.266 -3.167 249 HG1 THR 34 1HG THR 34 2.410 11.171 -5.554 250 HG21 THR 34 1HG2 THR 34 3.477 12.763 -2.858 251 HG22 THR 34 2HG2 THR 34 3.970 11.806 -4.256 252 HG23 THR 34 3HG2 THR 34 3.756 11.031 -2.686 253 H THR 35 H THR 35 -0.094 10.567 -5.113 254 HA THR 35 HA THR 35 -2.501 10.682 -3.533 255 HB THR 35 HB THR 35 -3.649 11.021 -5.709 256 HG1 THR 35 1HG THR 35 -2.527 10.054 -7.271 257 HG21 THR 35 1HG2 THR 35 -2.536 12.879 -4.382 258 HG22 THR 35 2HG2 THR 35 -2.831 13.210 -6.089 259 HG23 THR 35 3HG2 THR 35 -1.211 12.780 -5.541 260 H SER 36 H SER 36 -1.240 8.543 -6.084 261 HA SER 36 HA SER 36 -3.224 6.770 -6.466 262 HB2 SER 36 1HB SER 36 -0.268 6.435 -6.275 263 HB3 SER 36 2HB SER 36 -1.256 4.977 -6.353 264 HG SER 36 HG SER 36 -0.809 6.934 -8.275 265 H TRP 37 H TRP 37 -1.438 7.200 -3.520 266 HA TRP 37 HA TRP 37 -2.819 4.897 -2.319 267 HB2 TRP 37 1HB TRP 37 -0.496 6.429 -1.142 268 HB3 TRP 37 2HB TRP 37 -1.127 4.868 -0.625 269 HD1 TRP 37 HD TRP 37 0.979 6.468 -3.403 270 HE1 TRP 37 1HE TRP 37 2.316 4.614 -4.586 271 HE3 TRP 37 3HE TRP 37 -1.108 2.391 -1.133 272 HZ2 TRP 37 2HZ TRP 37 2.465 1.795 -4.559 273 HZ3 TRP 37 3HZ TRP 37 -0.312 0.151 -1.768 274 HH2 TRP 37 HH TRP 37 1.437 -0.139 -3.447 275 H ARG 38 H ARG 38 -2.467 8.346 -2.221 276 HA ARG 38 HA ARG 38 -3.236 9.200 0.190 277 HB2 ARG 38 1HB ARG 38 -3.016 10.787 -1.574 278 HB3 ARG 38 2HB ARG 38 -4.334 10.060 -2.484 279 HG2 ARG 38 1HG ARG 38 -5.960 10.934 -1.053 280 HG3 ARG 38 2HG ARG 38 -4.783 11.282 0.215 281 HD2 ARG 38 1HD ARG 38 -5.059 13.382 -0.633 282 HD3 ARG 38 2HD ARG 38 -3.745 12.820 -1.664 283 HE ARG 38 HE ARG 38 -5.170 12.882 -3.455 284 HH11 ARG 38 1HH1 ARG 38 -7.023 13.037 -0.512 285 HH12 ARG 38 2HH1 ARG 38 -8.520 13.369 -1.319 286 HH21 ARG 38 1HH2 ARG 38 -7.134 13.320 -4.529 287 HH22 ARG 38 2HH2 ARG 38 -8.582 13.530 -3.603 288 H ASN 39 H ASN 39 -5.516 7.894 -2.211 289 HA ASN 39 HA ASN 39 -7.795 8.078 -0.548 290 HB2 ASN 39 1HB ASN 39 -8.592 6.192 -2.227 291 HB3 ASN 39 2HB ASN 39 -8.403 7.860 -2.758 292 HD21 ASN 39 1HD2 ASN 39 -8.244 6.827 -4.873 293 HD22 ASN 39 2HD2 ASN 39 -6.703 6.253 -5.403 294 H GLY 40 H GLY 40 -5.607 5.379 -1.305 295 HA2 GLY 40 1HA GLY 40 -4.955 3.868 0.476 296 HA3 GLY 40 2HA GLY 40 -6.564 4.062 1.156 297 H LEU 41 H LEU 41 -6.036 3.616 -2.267 298 HA LEU 41 HA LEU 41 -7.693 1.257 -2.236 299 HB2 LEU 41 1HB LEU 41 -6.280 2.695 -4.476 300 HB3 LEU 41 2HB LEU 41 -7.353 1.315 -4.700 301 HG LEU 41 HG LEU 41 -8.212 3.943 -3.497 302 HD11 LEU 41 1HD1 LEU 41 -8.297 2.943 -6.329 303 HD12 LEU 41 2HD1 LEU 41 -7.640 4.461 -5.719 304 HD13 LEU 41 3HD1 LEU 41 -9.384 4.197 -5.731 305 HD21 LEU 41 1HD2 LEU 41 -9.493 1.842 -2.939 306 HD22 LEU 41 2HD2 LEU 41 -9.894 1.731 -4.654 307 HD23 LEU 41 3HD2 LEU 41 -10.423 3.126 -3.712 308 H SER 42 H SER 42 -4.545 1.845 -3.806 309 HA SER 42 HA SER 42 -3.775 -0.713 -4.286 310 HB2 SER 42 1HB SER 42 -2.030 1.570 -3.337 311 HB3 SER 42 2HB SER 42 -1.413 0.074 -4.038 312 HG SER 42 HG SER 42 -2.741 2.201 -5.251 313 H PHE 43 H PHE 43 -3.609 0.986 -1.207 314 HA PHE 43 HA PHE 43 -2.084 -0.865 0.228 315 HB2 PHE 43 1HB PHE 43 -4.119 1.196 0.995 316 HB3 PHE 43 2HB PHE 43 -3.508 0.085 2.215 317 HD1 PHE 43 2HD PHE 43 -0.735 -0.197 1.722 318 HD2 PHE 43 1HD PHE 43 -3.167 3.263 1.241 319 HE1 PHE 43 2HE PHE 43 1.243 1.232 2.033 320 HE2 PHE 43 1HE PHE 43 -1.192 4.698 1.550 321 HZ PHE 43 HZ PHE 43 1.016 3.683 1.948 322 H CYS 44 H CYS 44 -5.632 -0.552 0.072 323 HA CYS 44 HA CYS 44 -6.145 -2.914 1.542 324 HB2 CYS 44 1HB CYS 44 -7.819 -1.189 -0.268 325 HB3 CYS 44 2HB CYS 44 -8.462 -2.674 0.423 326 HG CYS 44 HG CYS 44 -7.924 0.297 1.867 327 H ALA 45 H ALA 45 -5.760 -2.244 -1.885 328 HA ALA 45 HA ALA 45 -6.713 -4.688 -2.891 329 HB1 ALA 45 1HB ALA 45 -6.213 -2.582 -4.193 330 HB2 ALA 45 2HB ALA 45 -4.515 -3.058 -4.140 331 HB3 ALA 45 3HB ALA 45 -5.697 -4.094 -4.941 332 H ILE 46 H ILE 46 -3.407 -3.657 -2.070 333 HA ILE 46 HA ILE 46 -2.067 -5.987 -2.777 334 HB ILE 46 HB ILE 46 -1.467 -3.980 -0.610 335 HG12 ILE 46 1HG1 ILE 46 -0.020 -4.442 -3.214 336 HG13 ILE 46 2HG1 ILE 46 -1.411 -3.369 -3.098 337 HG21 ILE 46 1HG2 ILE 46 -0.438 -6.070 0.033 338 HG22 ILE 46 2HG2 ILE 46 0.246 -6.262 -1.580 339 HG23 ILE 46 3HG2 ILE 46 0.800 -4.952 -0.538 340 HD11 ILE 46 1HD1 ILE 46 0.386 -1.935 -2.888 341 HD12 ILE 46 2HD1 ILE 46 -0.076 -2.228 -1.211 342 HD13 ILE 46 3HD1 ILE 46 1.309 -3.071 -1.904 343 H LEU 47 H LEU 47 -3.282 -5.073 0.451 344 HA LEU 47 HA LEU 47 -2.649 -7.503 1.706 345 HB2 LEU 47 1HB LEU 47 -3.169 -5.411 2.894 346 HB3 LEU 47 2HB LEU 47 -4.851 -5.558 2.388 347 HG LEU 47 HG LEU 47 -4.979 -7.684 3.692 348 HD11 LEU 47 1HD1 LEU 47 -3.112 -7.717 5.532 349 HD12 LEU 47 2HD1 LEU 47 -2.161 -6.922 4.279 350 HD13 LEU 47 3HD1 LEU 47 -2.863 -8.512 3.977 351 HD21 LEU 47 1HD2 LEU 47 -4.125 -5.420 5.465 352 HD22 LEU 47 2HD2 LEU 47 -5.401 -6.610 5.723 353 HD23 LEU 47 3HD2 LEU 47 -5.610 -5.341 4.516 354 H HIS 48 H HIS 48 -5.258 -6.597 -0.370 355 HA HIS 48 HA HIS 48 -6.993 -8.762 0.401 356 HB2 HIS 48 1HB HIS 48 -7.819 -6.586 -0.530 357 HB3 HIS 48 2HB HIS 48 -7.130 -7.046 -2.084 358 HD1 HIS 48 1HD HIS 48 -8.264 -9.086 -3.311 359 HD2 HIS 48 2HD HIS 48 -10.265 -7.716 0.063 360 HE1 HIS 48 1HE HIS 48 -10.565 -10.093 -3.439 361 HE2 HIS 48 2HE HIS 48 -11.785 -9.181 -1.432 362 H HIS 49 H HIS 49 -4.516 -8.197 -1.989 363 HA HIS 49 HA HIS 49 -5.065 -10.207 -3.823 364 HB2 HIS 49 1HB HIS 49 -3.267 -8.437 -3.985 365 HB3 HIS 49 2HB HIS 49 -2.291 -9.433 -2.909 366 HD1 HIS 49 1HD HIS 49 -4.329 -10.398 -5.978 367 HD2 HIS 49 2HD HIS 49 -0.448 -10.592 -4.508 368 HE1 HIS 49 1HE HIS 49 -3.022 -11.682 -7.700 369 HE2 HIS 49 2HE HIS 49 -0.696 -11.860 -6.749 370 H PHE 50 H PHE 50 -2.734 -10.441 -1.128 371 HA PHE 50 HA PHE 50 -2.363 -13.212 -1.331 372 HB2 PHE 50 1HB PHE 50 -2.082 -11.534 1.169 373 HB3 PHE 50 2HB PHE 50 -1.297 -13.075 0.838 374 HD1 PHE 50 2HD PHE 50 -1.343 -9.495 0.064 375 HD2 PHE 50 1HD PHE 50 0.624 -13.212 -0.593 376 HE1 PHE 50 2HE PHE 50 0.576 -8.303 -0.910 377 HE2 PHE 50 1HE PHE 50 2.547 -12.026 -1.568 378 HZ PHE 50 HZ PHE 50 2.524 -9.568 -1.729 379 H ARG 51 H ARG 51 -4.402 -11.348 0.918 380 HA ARG 51 HA ARG 51 -6.077 -13.747 1.238 381 HB2 ARG 51 1HB ARG 51 -4.492 -12.993 3.222 382 HB3 ARG 51 2HB ARG 51 -5.787 -11.841 3.515 383 HG2 ARG 51 1HG ARG 51 -6.306 -13.651 4.881 384 HG3 ARG 51 2HG ARG 51 -7.350 -13.861 3.474 385 HD2 ARG 51 1HD ARG 51 -6.464 -15.993 3.894 386 HD3 ARG 51 2HD ARG 51 -5.522 -15.366 2.542 387 HE ARG 51 HE ARG 51 -4.228 -14.740 4.963 388 HH11 ARG 51 1HH1 ARG 51 -4.951 -17.455 2.907 389 HH12 ARG 51 2HH1 ARG 51 -3.556 -18.360 3.392 390 HH21 ARG 51 1HH2 ARG 51 -2.388 -15.922 5.610 391 HH22 ARG 51 2HH2 ARG 51 -2.099 -17.488 4.930 392 HA PRO 52 HA PRO 52 -8.812 -10.414 -0.246 393 HB2 PRO 52 1HB PRO 52 -10.591 -12.112 -1.397 394 HB3 PRO 52 2HB PRO 52 -9.101 -11.595 -2.196 395 HG2 PRO 52 1HG PRO 52 -9.678 -14.138 -0.725 396 HG3 PRO 52 2HG PRO 52 -8.814 -13.902 -2.256 397 HD2 PRO 52 1HD PRO 52 -7.530 -14.293 0.095 398 HD3 PRO 52 2HD PRO 52 -6.859 -13.285 -1.203 399 H ASP 53 H ASP 53 -8.961 -12.615 2.195 400 HA ASP 53 HA ASP 53 -11.744 -11.928 2.874 401 HB2 ASP 53 1HB ASP 53 -10.993 -14.402 2.611 402 HB3 ASP 53 2HB ASP 53 -10.217 -14.165 4.175 403 H LEU 54 H LEU 54 -9.343 -10.286 3.312 404 HA LEU 54 HA LEU 54 -9.330 -10.225 6.258 405 HB2 LEU 54 1HB LEU 54 -7.245 -9.680 4.217 406 HB3 LEU 54 2HB LEU 54 -7.226 -8.706 5.686 407 HG LEU 54 HG LEU 54 -7.078 -11.719 5.605 408 HD11 LEU 54 1HD1 LEU 54 -5.105 -10.045 4.820 409 HD12 LEU 54 2HD1 LEU 54 -4.835 -11.613 5.579 410 HD13 LEU 54 3HD1 LEU 54 -4.787 -10.143 6.552 411 HD21 LEU 54 1HD2 LEU 54 -6.111 -10.556 8.011 412 HD22 LEU 54 2HD2 LEU 54 -7.473 -11.654 7.786 413 HD23 LEU 54 3HD2 LEU 54 -7.721 -9.910 7.690 414 H ILE 55 H ILE 55 -9.694 -8.346 3.320 415 HA ILE 55 HA ILE 55 -10.698 -6.107 4.953 416 HB ILE 55 HB ILE 55 -9.670 -5.563 2.216 417 HG12 ILE 55 1HG1 ILE 55 -7.423 -5.070 3.583 418 HG13 ILE 55 2HG1 ILE 55 -8.009 -6.435 4.527 419 HG21 ILE 55 1HG2 ILE 55 -10.293 -4.113 4.675 420 HG22 ILE 55 2HG2 ILE 55 -8.789 -3.606 3.908 421 HG23 ILE 55 3HG2 ILE 55 -10.299 -3.563 3.000 422 HD11 ILE 55 1HD1 ILE 55 -8.233 -7.100 1.780 423 HD12 ILE 55 2HD1 ILE 55 -6.617 -6.458 2.072 424 HD13 ILE 55 3HD1 ILE 55 -7.206 -7.825 3.016 425 H ASP 56 H ASP 56 -11.922 -4.548 3.222 426 HA ASP 56 HA ASP 56 -13.936 -6.286 1.954 427 HB2 ASP 56 1HB ASP 56 -14.183 -3.627 3.346 428 HB3 ASP 56 2HB ASP 56 -15.428 -4.205 2.242 429 H TYR 57 H TYR 57 -11.454 -5.282 0.750 430 HA TYR 57 HA TYR 57 -11.823 -3.090 -0.916 431 HB2 TYR 57 1HB TYR 57 -9.667 -4.272 -0.587 432 HB3 TYR 57 2HB TYR 57 -10.275 -5.610 -1.556 433 HD1 TYR 57 2HD TYR 57 -10.931 -5.113 -3.981 434 HD2 TYR 57 1HD TYR 57 -8.614 -2.448 -1.608 435 HE1 TYR 57 2HE TYR 57 -10.123 -4.007 -6.023 436 HE2 TYR 57 1HE TYR 57 -7.800 -1.334 -3.643 437 HH TYR 57 HH TYR 57 -8.554 -1.031 -6.003 438 H LYS 58 H LYS 58 -13.324 -6.153 -1.004 439 HA LYS 58 HA LYS 58 -13.895 -6.311 -3.780 440 HB2 LYS 58 1HB LYS 58 -15.453 -8.049 -3.194 441 HB3 LYS 58 2HB LYS 58 -14.014 -8.235 -2.199 442 HG2 LYS 58 1HG LYS 58 -15.193 -7.103 -0.347 443 HG3 LYS 58 2HG LYS 58 -16.645 -7.043 -1.349 444 HD2 LYS 58 1HD LYS 58 -16.469 -9.554 -1.543 445 HD3 LYS 58 2HD LYS 58 -15.221 -9.480 -0.297 446 HE2 LYS 58 1HE LYS 58 -16.825 -8.396 1.218 447 HE3 LYS 58 2HE LYS 58 -18.068 -8.517 -0.027 448 HZ1 LYS 58 1HZ LYS 58 -17.549 -10.371 1.892 449 HZ2 LYS 58 2HZ LYS 58 -16.802 -11.027 0.524 450 HZ3 LYS 58 3HZ LYS 58 -18.447 -10.636 0.483 451 H SER 59 H SER 59 -15.203 -4.455 -1.207 452 HA SER 59 HA SER 59 -17.301 -3.464 -3.012 453 HB2 SER 59 1HB SER 59 -17.585 -4.470 -0.217 454 HB3 SER 59 2HB SER 59 -18.570 -3.091 -0.705 455 HG SER 59 HG SER 59 -18.484 -5.663 -1.895 456 H LEU 60 H LEU 60 -14.573 -2.541 -2.167 457 HA LEU 60 HA LEU 60 -15.114 -0.146 -0.623 458 HB2 LEU 60 1HB LEU 60 -12.675 -1.465 -1.723 459 HB3 LEU 60 2HB LEU 60 -12.607 0.241 -1.284 460 HG LEU 60 HG LEU 60 -13.044 -2.137 0.499 461 HD11 LEU 60 1HD1 LEU 60 -10.760 -0.967 -0.203 462 HD12 LEU 60 2HD1 LEU 60 -11.033 -1.621 1.412 463 HD13 LEU 60 3HD1 LEU 60 -11.216 0.108 1.120 464 HD21 LEU 60 1HD2 LEU 60 -14.653 -0.789 1.422 465 HD22 LEU 60 2HD2 LEU 60 -13.864 0.700 0.902 466 HD23 LEU 60 3HD2 LEU 60 -13.221 -0.209 2.271 467 H ASN 61 H ASN 61 -13.642 1.805 -1.657 468 HA ASN 61 HA ASN 61 -13.838 2.174 -4.454 469 HB2 ASN 61 1HB ASN 61 -16.110 3.128 -2.762 470 HB3 ASN 61 2HB ASN 61 -15.590 4.126 -4.116 471 HD21 ASN 61 1HD2 ASN 61 -14.930 2.305 -6.000 472 HD22 ASN 61 2HD2 ASN 61 -16.318 1.385 -6.458 473 HA PRO 62 HA PRO 62 -11.102 5.485 -3.563 474 HB2 PRO 62 1HB PRO 62 -11.637 7.237 -5.566 475 HB3 PRO 62 2HB PRO 62 -10.788 5.709 -5.828 476 HG2 PRO 62 1HG PRO 62 -13.669 6.380 -6.293 477 HG3 PRO 62 2HG PRO 62 -12.557 5.450 -7.315 478 HD2 PRO 62 1HD PRO 62 -14.382 4.270 -5.699 479 HD3 PRO 62 2HD PRO 62 -12.809 3.532 -6.061 480 H GLN 63 H GLN 63 -14.335 5.762 -3.036 481 HA GLN 63 HA GLN 63 -14.502 8.604 -2.599 482 HB2 GLN 63 1HB GLN 63 -16.720 8.025 -1.575 483 HB3 GLN 63 2HB GLN 63 -16.520 7.499 -3.241 484 HG2 GLN 63 1HG GLN 63 -17.624 5.823 -1.818 485 HG3 GLN 63 2HG GLN 63 -16.124 5.240 -2.539 486 HE21 GLN 63 1HE2 GLN 63 -15.451 3.777 -1.101 487 HE22 GLN 63 2HE2 GLN 63 -15.142 4.097 0.568 488 H ASP 64 H ASP 64 -13.212 6.013 -0.893 489 HA ASP 64 HA ASP 64 -13.469 7.442 1.670 490 HB2 ASP 64 1HB ASP 64 -13.343 4.552 0.969 491 HB3 ASP 64 2HB ASP 64 -12.579 5.056 2.474 492 H ILE 65 H ILE 65 -11.733 8.598 2.154 493 HA ILE 65 HA ILE 65 -9.113 7.747 1.148 494 HB ILE 65 HB ILE 65 -9.872 10.386 2.405 495 HG12 ILE 65 1HG1 ILE 65 -9.648 9.552 -0.492 496 HG13 ILE 65 2HG1 ILE 65 -11.080 10.156 0.336 497 HG21 ILE 65 1HG2 ILE 65 -7.404 9.372 2.248 498 HG22 ILE 65 2HG2 ILE 65 -7.516 10.091 0.643 499 HG23 ILE 65 3HG2 ILE 65 -7.745 11.094 2.075 500 HD11 ILE 65 1HD1 ILE 65 -9.711 11.716 -1.221 501 HD12 ILE 65 2HD1 ILE 65 -10.339 12.329 0.310 502 HD13 ILE 65 3HD1 ILE 65 -8.643 11.863 0.176 503 H LYS 66 H LYS 66 -10.739 8.757 4.132 504 HA LYS 66 HA LYS 66 -8.431 8.209 5.763 505 HB2 LYS 66 1HB LYS 66 -10.314 9.924 6.202 506 HB3 LYS 66 2HB LYS 66 -11.235 8.549 6.796 507 HG2 LYS 66 1HG LYS 66 -9.907 8.276 8.640 508 HG3 LYS 66 2HG LYS 66 -8.497 9.006 7.868 509 HD2 LYS 66 1HD LYS 66 -9.112 10.660 9.350 510 HD3 LYS 66 2HD LYS 66 -9.966 11.168 7.891 511 HE2 LYS 66 1HE LYS 66 -11.934 9.801 8.811 512 HE3 LYS 66 2HE LYS 66 -11.060 9.821 10.341 513 HZ1 LYS 66 1HZ LYS 66 -11.445 12.015 10.640 514 HZ2 LYS 66 2HZ LYS 66 -12.796 11.684 9.678 515 HZ3 LYS 66 3HZ LYS 66 -11.417 12.379 8.989 516 H GLU 67 H GLU 67 -11.538 6.640 5.113 517 HA GLU 67 HA GLU 67 -11.198 4.516 6.950 518 HB2 GLU 67 1HB GLU 67 -13.362 5.257 5.859 519 HB3 GLU 67 2HB GLU 67 -12.823 4.422 4.410 520 HG2 GLU 67 1HG GLU 67 -14.074 2.776 5.332 521 HG3 GLU 67 2HG GLU 67 -12.531 2.418 6.106 522 H ASN 68 H ASN 68 -11.052 4.393 3.385 523 HA ASN 68 HA ASN 68 -10.136 1.931 2.904 524 HB2 ASN 68 1HB ASN 68 -9.319 4.546 1.679 525 HB3 ASN 68 2HB ASN 68 -8.579 3.047 1.128 526 HD21 ASN 68 1HD2 ASN 68 -9.624 3.821 -0.894 527 HD22 ASN 68 2HD2 ASN 68 -11.250 3.320 -1.193 528 H ASN 69 H ASN 69 -7.956 4.619 3.765 529 HA ASN 69 HA ASN 69 -5.617 3.069 3.914 530 HB2 ASN 69 1HB ASN 69 -6.419 5.731 5.056 531 HB3 ASN 69 2HB ASN 69 -4.862 5.015 5.462 532 HD21 ASN 69 1HD2 ASN 69 -6.895 5.837 2.686 533 HD22 ASN 69 2HD2 ASN 69 -5.592 6.281 1.642 534 H LYS 70 H LYS 70 -7.887 4.101 6.444 535 HA LYS 70 HA LYS 70 -6.603 3.052 8.659 536 HB2 LYS 70 1HB LYS 70 -8.603 4.473 8.788 537 HB3 LYS 70 2HB LYS 70 -9.579 3.166 8.132 538 HG2 LYS 70 1HG LYS 70 -9.957 3.147 10.448 539 HG3 LYS 70 2HG LYS 70 -8.859 1.800 10.136 540 HD2 LYS 70 1HD LYS 70 -6.961 3.250 10.789 541 HD3 LYS 70 2HD LYS 70 -8.111 4.527 11.191 542 HE2 LYS 70 1HE LYS 70 -8.209 1.784 12.425 543 HE3 LYS 70 2HE LYS 70 -7.284 3.114 13.121 544 HZ1 LYS 70 1HZ LYS 70 -9.336 4.400 13.266 545 HZ2 LYS 70 2HZ LYS 70 -9.453 2.957 14.141 546 HZ3 LYS 70 3HZ LYS 70 -10.214 3.097 12.637 547 H LYS 71 H LYS 71 -8.916 1.449 6.491 548 HA LYS 71 HA LYS 71 -9.205 -0.976 7.730 549 HB2 LYS 71 1HB LYS 71 -8.849 -0.572 4.755 550 HB3 LYS 71 2HB LYS 71 -9.649 -1.932 5.533 551 HG2 LYS 71 1HG LYS 71 -11.149 -0.020 6.556 552 HG3 LYS 71 2HG LYS 71 -10.598 0.852 5.123 553 HD2 LYS 71 1HD LYS 71 -11.691 -0.552 3.680 554 HD3 LYS 71 2HD LYS 71 -11.605 -1.928 4.783 555 HE2 LYS 71 1HE LYS 71 -13.325 -0.947 6.183 556 HE3 LYS 71 2HE LYS 71 -13.366 0.492 5.165 557 HZ1 LYS 71 1HZ LYS 71 -13.768 -1.601 3.444 558 HZ2 LYS 71 2HZ LYS 71 -14.947 -0.532 4.019 559 HZ3 LYS 71 3HZ LYS 71 -14.686 -2.006 4.806 560 H ALA 72 H ALA 72 -6.750 -0.282 5.232 561 HA ALA 72 HA ALA 72 -5.334 -2.628 5.328 562 HB1 ALA 72 1HB ALA 72 -3.351 -0.731 5.015 563 HB2 ALA 72 2HB ALA 72 -4.327 -1.446 3.731 564 HB3 ALA 72 3HB ALA 72 -4.809 0.089 4.455 565 H TYR 73 H TYR 73 -4.123 0.295 6.965 566 HA TYR 73 HA TYR 73 -2.189 -0.662 8.522 567 HB2 TYR 73 1HB TYR 73 -4.329 1.110 9.705 568 HB3 TYR 73 2HB TYR 73 -2.623 1.057 10.134 569 HD1 TYR 73 1HD TYR 73 -1.512 0.977 7.309 570 HD2 TYR 73 2HD TYR 73 -4.515 3.393 9.111 571 HE1 TYR 73 1HE TYR 73 -1.045 2.761 5.681 572 HE2 TYR 73 2HE TYR 73 -4.058 5.183 7.487 573 HH TYR 73 HH TYR 73 -2.612 5.911 5.909 574 H ASP 74 H ASP 74 -5.621 -0.839 9.450 575 HA ASP 74 HA ASP 74 -5.363 -2.146 11.868 576 HB2 ASP 74 1HB ASP 74 -7.496 -1.270 11.003 577 HB3 ASP 74 2HB ASP 74 -7.535 -2.557 9.800 578 H GLY 75 H GLY 75 -5.582 -3.572 8.620 579 HA2 GLY 75 1HA GLY 75 -5.345 -6.262 9.601 580 HA3 GLY 75 2HA GLY 75 -5.289 -5.755 7.919 581 H PHE 76 H PHE 76 -3.174 -4.180 7.684 582 HA PHE 76 HA PHE 76 -1.002 -5.855 7.518 583 HB2 PHE 76 1HB PHE 76 -1.134 -2.852 7.771 584 HB3 PHE 76 2HB PHE 76 0.377 -3.709 7.481 585 HD1 PHE 76 1HD PHE 76 -0.156 -5.688 5.549 586 HD2 PHE 76 2HD PHE 76 -1.866 -1.803 5.875 587 HE1 PHE 76 1HE PHE 76 -0.623 -5.694 3.133 588 HE2 PHE 76 2HE PHE 76 -2.336 -1.804 3.460 589 HZ PHE 76 HZ PHE 76 -1.715 -3.751 2.086 590 H ALA 77 H ALA 77 -1.525 -3.384 10.037 591 HA ALA 77 HA ALA 77 0.683 -4.142 11.617 592 HB1 ALA 77 1HB ALA 77 -1.784 -2.529 12.139 593 HB2 ALA 77 2HB ALA 77 -0.660 -2.909 13.445 594 HB3 ALA 77 3HB ALA 77 -0.104 -2.000 12.039 595 H SER 78 H SER 78 -2.174 -5.765 11.019 596 HA SER 78 HA SER 78 -2.625 -6.910 13.600 597 HB2 SER 78 1HB SER 78 -4.266 -6.699 11.590 598 HB3 SER 78 2HB SER 78 -3.517 -8.194 11.033 599 HG SER 78 HG SER 78 -4.371 -9.263 12.684 600 H ILE 79 H ILE 79 -0.840 -7.855 10.717 601 HA ILE 79 HA ILE 79 -0.146 -10.444 11.802 602 HB ILE 79 HB ILE 79 1.400 -10.497 9.760 603 HG12 ILE 79 1HG1 ILE 79 -0.319 -8.230 8.783 604 HG13 ILE 79 2HG1 ILE 79 1.221 -7.917 9.575 605 HG21 ILE 79 1HG2 ILE 79 -0.410 -11.099 8.291 606 HG22 ILE 79 2HG2 ILE 79 -0.805 -11.612 9.931 607 HG23 ILE 79 3HG2 ILE 79 -1.553 -10.165 9.255 608 HD11 ILE 79 1HD1 ILE 79 2.314 -8.322 7.699 609 HD12 ILE 79 2HD1 ILE 79 1.557 -9.908 7.547 610 HD13 ILE 79 3HD1 ILE 79 0.761 -8.483 6.878 611 H GLY 80 H GLY 80 1.290 -7.265 11.529 612 HA2 GLY 80 1HA GLY 80 2.939 -7.053 13.517 613 HA3 GLY 80 2HA GLY 80 3.819 -8.286 12.627 614 H ILE 81 H ILE 81 2.042 -5.604 11.197 615 HA ILE 81 HA ILE 81 4.594 -4.598 10.129 616 HB ILE 81 HB ILE 81 1.821 -4.185 9.006 617 HG12 ILE 81 1HG1 ILE 81 4.037 -6.086 8.230 618 HG13 ILE 81 2HG1 ILE 81 2.402 -6.497 8.736 619 HG21 ILE 81 1HG2 ILE 81 3.720 -2.465 8.620 620 HG22 ILE 81 2HG2 ILE 81 4.386 -3.696 7.548 621 HG23 ILE 81 3HG2 ILE 81 2.781 -3.034 7.240 622 HD11 ILE 81 1HD1 ILE 81 1.485 -5.860 6.707 623 HD12 ILE 81 2HD1 ILE 81 2.880 -4.871 6.274 624 HD13 ILE 81 3HD1 ILE 81 3.002 -6.630 6.246 625 H SER 82 H SER 82 5.155 -3.169 11.744 626 HA SER 82 HA SER 82 3.632 -1.468 13.219 627 HB2 SER 82 1HB SER 82 5.598 0.031 13.334 628 HB3 SER 82 2HB SER 82 6.050 -1.663 13.519 629 HG SER 82 HG SER 82 6.975 -1.651 11.571 630 H ARG 83 H ARG 83 2.385 0.258 12.881 631 HA ARG 83 HA ARG 83 1.913 1.158 10.193 632 HB2 ARG 83 1HB ARG 83 0.173 2.557 11.184 633 HB3 ARG 83 2HB ARG 83 0.066 0.909 11.789 634 HG2 ARG 83 1HG ARG 83 1.445 1.769 13.779 635 HG3 ARG 83 2HG ARG 83 0.990 3.376 13.208 636 HD2 ARG 83 1HD ARG 83 -0.559 2.602 14.914 637 HD3 ARG 83 2HD ARG 83 -1.374 2.753 13.358 638 HE ARG 83 HE ARG 83 -0.510 0.126 13.567 639 HH11 ARG 83 1HH1 ARG 83 -2.692 2.270 15.229 640 HH12 ARG 83 2HH1 ARG 83 -3.757 1.003 15.739 641 HH21 ARG 83 1HH2 ARG 83 -1.904 -1.552 14.232 642 HH22 ARG 83 2HH2 ARG 83 -3.308 -1.171 15.172 643 H LEU 84 H LEU 84 2.873 2.798 9.196 644 HA LEU 84 HA LEU 84 4.432 4.698 10.812 645 HB2 LEU 84 1HB LEU 84 4.698 4.080 7.875 646 HB3 LEU 84 2HB LEU 84 5.766 5.097 8.839 647 HG LEU 84 HG LEU 84 5.417 2.124 9.214 648 HD11 LEU 84 1HD1 LEU 84 7.318 1.756 7.969 649 HD12 LEU 84 2HD1 LEU 84 7.883 3.418 8.139 650 HD13 LEU 84 3HD1 LEU 84 6.542 3.050 7.055 651 HD21 LEU 84 1HD2 LEU 84 6.875 4.244 10.663 652 HD22 LEU 84 2HD2 LEU 84 7.756 2.743 10.374 653 HD23 LEU 84 3HD2 LEU 84 6.221 2.712 11.243 654 H LEU 85 H LEU 85 2.400 4.545 7.892 655 HA LEU 85 HA LEU 85 1.973 7.421 8.004 656 HB2 LEU 85 1HB LEU 85 2.365 6.060 5.876 657 HB3 LEU 85 2HB LEU 85 0.705 5.502 6.073 658 HG LEU 85 HG LEU 85 -0.045 7.870 5.944 659 HD11 LEU 85 1HD1 LEU 85 1.362 9.596 5.877 660 HD12 LEU 85 2HD1 LEU 85 2.399 8.815 4.684 661 HD13 LEU 85 3HD1 LEU 85 2.605 8.459 6.399 662 HD21 LEU 85 1HD2 LEU 85 -0.161 7.825 3.666 663 HD22 LEU 85 2HD2 LEU 85 0.352 6.163 3.964 664 HD23 LEU 85 3HD2 LEU 85 1.535 7.378 3.475 665 H GLU 86 H GLU 86 -0.044 8.401 8.263 666 HA GLU 86 HA GLU 86 -1.996 6.749 9.702 667 HB2 GLU 86 1HB GLU 86 -1.703 9.757 9.625 668 HB3 GLU 86 2HB GLU 86 -2.852 8.862 10.609 669 HG2 GLU 86 1HG GLU 86 -0.637 7.696 11.471 670 HG3 GLU 86 2HG GLU 86 0.066 9.228 10.956 671 HA PRO 87 HA PRO 87 -4.916 7.014 6.426 672 HB2 PRO 87 1HB PRO 87 -7.213 6.728 7.845 673 HB3 PRO 87 2HB PRO 87 -6.097 5.391 7.543 674 HG2 PRO 87 1HG PRO 87 -6.389 7.098 9.984 675 HG3 PRO 87 2HG PRO 87 -6.167 5.343 9.867 676 HD2 PRO 87 1HD PRO 87 -4.133 7.033 10.449 677 HD3 PRO 87 2HD PRO 87 -3.892 5.526 9.542 678 H SER 88 H SER 88 -5.684 8.925 9.330 679 HA SER 88 HA SER 88 -7.444 10.714 8.021 680 HB2 SER 88 1HB SER 88 -7.291 12.062 10.044 681 HB3 SER 88 2HB SER 88 -7.412 10.357 10.479 682 HG SER 88 HG SER 88 -5.771 11.144 11.695 683 H ASP 89 H ASP 89 -4.043 11.047 9.017 684 HA ASP 89 HA ASP 89 -3.397 13.553 8.331 685 HB2 ASP 89 1HB ASP 89 -1.926 10.982 7.904 686 HB3 ASP 89 2HB ASP 89 -1.231 12.479 7.291 687 H MET 90 H MET 90 -3.757 10.908 5.986 688 HA MET 90 HA MET 90 -3.067 12.210 3.665 689 HB2 MET 90 1HB MET 90 -5.315 10.222 4.036 690 HB3 MET 90 2HB MET 90 -4.574 10.646 2.498 691 HG2 MET 90 1HG MET 90 -2.903 9.586 4.733 692 HG3 MET 90 2HG MET 90 -3.844 8.492 3.722 693 HE1 MET 90 1HE MET 90 -1.930 7.143 2.846 694 HE2 MET 90 2HE MET 90 -2.965 7.554 1.479 695 HE3 MET 90 3HE MET 90 -1.211 7.625 1.309 696 H VAL 91 H VAL 91 -6.259 12.147 5.230 697 HA VAL 91 HA VAL 91 -7.527 13.807 3.312 698 HB VAL 91 HB VAL 91 -8.340 13.432 6.195 699 HG11 VAL 91 1HG1 VAL 91 -10.463 14.154 5.580 700 HG12 VAL 91 2HG1 VAL 91 -9.398 15.237 4.682 701 HG13 VAL 91 3HG1 VAL 91 -10.168 13.876 3.864 702 HG21 VAL 91 1HG2 VAL 91 -8.123 11.244 5.348 703 HG22 VAL 91 2HG2 VAL 91 -9.837 11.632 5.204 704 HG23 VAL 91 3HG2 VAL 91 -8.796 11.697 3.782 705 H LEU 92 H LEU 92 -6.212 14.476 6.550 706 HA LEU 92 HA LEU 92 -6.821 17.088 6.910 707 HB2 LEU 92 1HB LEU 92 -4.085 15.914 7.377 708 HB3 LEU 92 2HB LEU 92 -4.761 17.338 8.165 709 HG LEU 92 HG LEU 92 -5.822 14.531 8.479 710 HD11 LEU 92 1HD1 LEU 92 -4.591 14.271 10.380 711 HD12 LEU 92 2HD1 LEU 92 -4.455 16.005 10.667 712 HD13 LEU 92 3HD1 LEU 92 -3.464 15.237 9.427 713 HD21 LEU 92 1HD2 LEU 92 -6.445 17.073 9.980 714 HD22 LEU 92 2HD2 LEU 92 -7.116 15.475 10.308 715 HD23 LEU 92 3HD2 LEU 92 -7.495 16.297 8.794 716 H LEU 93 H LEU 93 -3.851 16.028 5.235 717 HA LEU 93 HA LEU 93 -3.626 18.678 4.025 718 HB2 LEU 93 1HB LEU 93 -1.411 17.901 3.281 719 HB3 LEU 93 2HB LEU 93 -1.622 17.816 5.028 720 HG LEU 93 HG LEU 93 -1.963 15.392 4.860 721 HD11 LEU 93 1HD1 LEU 93 -2.866 14.940 2.788 722 HD12 LEU 93 2HD1 LEU 93 -1.196 14.415 2.576 723 HD13 LEU 93 3HD1 LEU 93 -1.717 15.976 1.942 724 HD21 LEU 93 1HD2 LEU 93 0.525 15.510 3.395 725 HD22 LEU 93 2HD2 LEU 93 0.233 15.122 5.091 726 HD23 LEU 93 3HD2 LEU 93 0.417 16.803 4.589 727 H ALA 94 H ALA 94 -2.548 18.429 1.675 728 HA ALA 94 HA ALA 94 -4.614 17.153 0.078 729 HB1 ALA 94 1HB ALA 94 -4.096 18.622 -1.575 730 HB2 ALA 94 2HB ALA 94 -3.469 19.537 -0.204 731 HB3 ALA 94 3HB ALA 94 -2.370 18.596 -1.212 732 H ILE 95 H ILE 95 -1.069 17.350 -0.285 733 HA ILE 95 HA ILE 95 -1.119 14.581 -1.287 734 HB ILE 95 HB ILE 95 0.964 16.703 -1.815 735 HG12 ILE 95 1HG1 ILE 95 -1.024 17.344 -2.973 736 HG13 ILE 95 2HG1 ILE 95 0.028 16.584 -4.161 737 HG21 ILE 95 1HG2 ILE 95 0.740 14.279 -3.489 738 HG22 ILE 95 2HG2 ILE 95 2.167 15.177 -2.974 739 HG23 ILE 95 3HG2 ILE 95 1.380 14.059 -1.860 740 HD11 ILE 95 1HD1 ILE 95 -1.274 14.470 -3.803 741 HD12 ILE 95 2HD1 ILE 95 -2.412 15.425 -2.852 742 HD13 ILE 95 3HD1 ILE 95 -2.161 15.794 -4.558 743 HA PRO 96 HA PRO 96 1.131 13.471 2.364 744 HB2 PRO 96 1HB PRO 96 1.795 10.956 1.587 745 HB3 PRO 96 2HB PRO 96 0.171 11.397 2.127 746 HG2 PRO 96 1HG PRO 96 1.222 11.085 -0.659 747 HG3 PRO 96 2HG PRO 96 -0.320 10.536 0.023 748 HD2 PRO 96 1HD PRO 96 -0.107 12.778 -1.481 749 HD3 PRO 96 2HD PRO 96 -1.288 12.620 -0.165 750 H ASP 97 H ASP 97 3.290 11.959 2.581 751 HA ASP 97 HA ASP 97 5.323 13.446 1.080 752 HB2 ASP 97 1HB ASP 97 5.329 12.012 3.720 753 HB3 ASP 97 2HB ASP 97 6.843 12.364 2.891 754 H LYS 98 H LYS 98 5.602 12.362 -0.810 755 HA LYS 98 HA LYS 98 5.390 9.807 -1.530 756 HB2 LYS 98 1HB LYS 98 6.310 11.726 -2.911 757 HB3 LYS 98 2HB LYS 98 7.886 11.354 -2.225 758 HG2 LYS 98 1HG LYS 98 7.626 9.031 -3.133 759 HG3 LYS 98 2HG LYS 98 6.190 9.603 -3.986 760 HD2 LYS 98 1HD LYS 98 7.399 10.878 -5.448 761 HD3 LYS 98 2HD LYS 98 8.704 11.160 -4.293 762 HE2 LYS 98 1HE LYS 98 9.763 9.720 -5.708 763 HE3 LYS 98 2HE LYS 98 9.046 8.554 -4.598 764 HZ1 LYS 98 1HZ LYS 98 8.062 7.646 -6.345 765 HZ2 LYS 98 2HZ LYS 98 8.592 8.880 -7.373 766 HZ3 LYS 98 3HZ LYS 98 7.136 9.050 -6.530 767 H LEU 99 H LEU 99 8.375 11.071 -0.041 768 HA LEU 99 HA LEU 99 9.802 8.722 0.137 769 HB2 LEU 99 1HB LEU 99 9.707 11.002 2.106 770 HB3 LEU 99 2HB LEU 99 10.940 9.743 2.088 771 HG LEU 99 HG LEU 99 10.460 11.623 -0.218 772 HD11 LEU 99 1HD1 LEU 99 12.169 13.024 0.568 773 HD12 LEU 99 2HD1 LEU 99 12.658 11.875 1.813 774 HD13 LEU 99 3HD1 LEU 99 11.131 12.743 1.966 775 HD21 LEU 99 1HD2 LEU 99 12.619 9.653 0.493 776 HD22 LEU 99 2HD2 LEU 99 12.841 10.920 -0.714 777 HD23 LEU 99 3HD2 LEU 99 11.600 9.688 -0.946 778 H THR 100 H THR 100 7.666 10.086 2.645 779 HA THR 100 HA THR 100 7.854 8.044 4.502 780 HB THR 100 HB THR 100 5.435 9.746 3.869 781 HG1 THR 100 1HG THR 100 7.498 10.771 4.545 782 HG21 THR 100 1HG2 THR 100 4.773 9.245 6.209 783 HG22 THR 100 2HG2 THR 100 6.086 8.071 6.296 784 HG23 THR 100 3HG2 THR 100 4.755 7.823 5.166 785 H VAL 101 H VAL 101 5.141 8.447 2.216 786 HA VAL 101 HA VAL 101 3.819 6.108 2.590 787 HB VAL 101 HB VAL 101 4.359 7.394 -0.091 788 HG11 VAL 101 1HG1 VAL 101 3.347 4.949 0.184 789 HG12 VAL 101 2HG1 VAL 101 1.871 5.877 0.461 790 HG13 VAL 101 3HG1 VAL 101 2.770 6.075 -1.044 791 HG21 VAL 101 1HG2 VAL 101 2.874 8.273 2.180 792 HG22 VAL 101 2HG2 VAL 101 3.074 9.063 0.616 793 HG23 VAL 101 3HG2 VAL 101 1.753 7.922 0.865 794 H MET 102 H MET 102 6.334 6.505 0.084 795 HA MET 102 HA MET 102 6.543 3.906 -0.752 796 HB2 MET 102 1HB MET 102 8.578 6.097 -0.507 797 HB3 MET 102 2HB MET 102 9.052 4.508 -1.090 798 HG2 MET 102 1HG MET 102 7.353 4.692 -2.869 799 HG3 MET 102 2HG MET 102 6.985 6.322 -2.309 800 HE1 MET 102 1HE MET 102 8.652 4.498 -5.003 801 HE2 MET 102 2HE MET 102 10.341 5.005 -5.036 802 HE3 MET 102 3HE MET 102 9.758 3.963 -3.737 803 H THR 103 H THR 103 8.248 5.402 1.981 804 HA THR 103 HA THR 103 9.848 3.303 2.767 805 HB THR 103 HB THR 103 8.381 5.218 4.592 806 HG1 THR 103 1HG THR 103 10.116 5.777 2.764 807 HG21 THR 103 1HG2 THR 103 10.670 4.719 5.872 808 HG22 THR 103 2HG2 THR 103 10.484 3.174 5.042 809 HG23 THR 103 3HG2 THR 103 9.217 3.753 6.124 810 H TYR 104 H TYR 104 6.515 3.961 3.843 811 HA TYR 104 HA TYR 104 6.241 1.713 5.486 812 HB2 TYR 104 1HB TYR 104 4.694 3.667 5.455 813 HB3 TYR 104 2HB TYR 104 4.053 3.094 3.919 814 HD1 TYR 104 2HD TYR 104 4.940 1.180 6.993 815 HD2 TYR 104 1HD TYR 104 1.856 2.471 4.361 816 HE1 TYR 104 2HE TYR 104 3.327 -0.233 8.198 817 HE2 TYR 104 1HE TYR 104 0.235 1.062 5.560 818 HH TYR 104 HH TYR 104 0.012 -0.612 7.068 819 H LEU 105 H LEU 105 5.280 2.177 2.091 820 HA LEU 105 HA LEU 105 4.123 -0.239 1.544 821 HB2 LEU 105 1HB LEU 105 5.735 1.675 -0.053 822 HB3 LEU 105 2HB LEU 105 5.410 0.092 -0.757 823 HG LEU 105 HG LEU 105 3.242 1.933 0.234 824 HD11 LEU 105 1HD1 LEU 105 3.741 1.600 -2.663 825 HD12 LEU 105 2HD1 LEU 105 4.839 2.655 -1.774 826 HD13 LEU 105 3HD1 LEU 105 3.105 2.981 -1.769 827 HD21 LEU 105 1HD2 LEU 105 2.867 -0.125 -1.870 828 HD22 LEU 105 2HD2 LEU 105 1.751 0.446 -0.629 829 HD23 LEU 105 3HD2 LEU 105 3.044 -0.677 -0.204 830 H TYR 106 H TYR 106 7.586 0.469 1.042 831 HA TYR 106 HA TYR 106 8.576 -1.903 0.281 832 HB2 TYR 106 1HB TYR 106 9.661 0.110 2.221 833 HB3 TYR 106 2HB TYR 106 10.560 -1.369 1.900 834 HD1 TYR 106 2HD TYR 106 10.592 -1.885 -0.807 835 HD2 TYR 106 1HD TYR 106 10.393 1.941 1.043 836 HE1 TYR 106 2HE TYR 106 11.556 -0.865 -2.827 837 HE2 TYR 106 1HE TYR 106 11.355 2.972 -0.972 838 HH TYR 106 HH TYR 106 12.728 1.111 -3.512 839 H GLN 107 H GLN 107 7.689 -1.087 3.612 840 HA GLN 107 HA GLN 107 8.559 -3.379 4.900 841 HB2 GLN 107 1HB GLN 107 6.029 -1.839 5.506 842 HB3 GLN 107 2HB GLN 107 6.906 -2.882 6.618 843 HG2 GLN 107 1HG GLN 107 8.113 -0.428 5.376 844 HG3 GLN 107 2HG GLN 107 7.252 -0.412 6.914 845 HE21 GLN 107 1HE2 GLN 107 10.219 -0.551 5.560 846 HE22 GLN 107 2HE2 GLN 107 11.093 -1.325 6.832 847 H ILE 108 H ILE 108 5.234 -2.781 3.745 848 HA ILE 108 HA ILE 108 4.149 -5.254 4.204 849 HB ILE 108 HB ILE 108 3.624 -3.446 1.844 850 HG12 ILE 108 1HG1 ILE 108 1.498 -3.118 3.430 851 HG13 ILE 108 2HG1 ILE 108 2.675 -3.554 4.664 852 HG21 ILE 108 1HG2 ILE 108 1.803 -5.580 2.930 853 HG22 ILE 108 2HG2 ILE 108 1.606 -4.629 1.459 854 HG23 ILE 108 3HG2 ILE 108 2.886 -5.837 1.562 855 HD11 ILE 108 1HD1 ILE 108 3.397 -1.469 4.679 856 HD12 ILE 108 2HD1 ILE 108 3.883 -1.630 2.991 857 HD13 ILE 108 3HD1 ILE 108 2.266 -1.052 3.392 858 H ARG 109 H ARG 109 5.745 -4.217 1.188 859 HA ARG 109 HA ARG 109 5.587 -6.690 -0.120 860 HB2 ARG 109 1HB ARG 109 6.085 -4.749 -1.409 861 HB3 ARG 109 2HB ARG 109 7.491 -4.372 -0.422 862 HG2 ARG 109 1HG ARG 109 8.361 -6.675 -1.265 863 HG3 ARG 109 2HG ARG 109 7.168 -6.440 -2.544 864 HD2 ARG 109 1HD ARG 109 8.188 -4.321 -3.140 865 HD3 ARG 109 2HD ARG 109 9.337 -4.477 -1.812 866 HE ARG 109 HE ARG 109 9.499 -5.719 -4.383 867 HH11 ARG 109 1HH1 ARG 109 10.363 -6.049 -1.027 868 HH12 ARG 109 2HH1 ARG 109 11.728 -7.068 -1.344 869 HH21 ARG 109 1HH2 ARG 109 11.293 -7.059 -4.813 870 HH22 ARG 109 2HH2 ARG 109 12.257 -7.641 -3.498 871 H ALA 110 H ALA 110 7.975 -5.375 2.105 872 HA ALA 110 HA ALA 110 9.957 -7.347 1.751 873 HB1 ALA 110 1HB ALA 110 10.813 -5.559 2.869 874 HB2 ALA 110 2HB ALA 110 9.347 -5.305 3.815 875 HB3 ALA 110 3HB ALA 110 10.459 -6.604 4.245 876 H HIS 111 H HIS 111 7.288 -7.087 4.083 877 HA HIS 111 HA HIS 111 7.808 -9.322 5.625 878 HB2 HIS 111 1HB HIS 111 6.073 -7.859 6.324 879 HB3 HIS 111 2HB HIS 111 5.202 -8.046 4.805 880 HD1 HIS 111 1HD HIS 111 6.234 -10.234 7.744 881 HD2 HIS 111 2HD HIS 111 3.177 -9.830 4.960 882 HE1 HIS 111 1HE HIS 111 4.518 -11.962 8.373 883 HE2 HIS 111 2HE HIS 111 2.718 -11.756 6.624 884 H PHE 112 H PHE 112 5.525 -9.208 2.881 885 HA PHE 112 HA PHE 112 5.228 -12.015 2.734 886 HB2 PHE 112 1HB PHE 112 4.617 -9.790 0.791 887 HB3 PHE 112 2HB PHE 112 4.281 -11.479 0.423 888 HD1 PHE 112 1HD PHE 112 2.721 -12.754 1.942 889 HD2 PHE 112 2HD PHE 112 3.143 -8.521 2.084 890 HE1 PHE 112 1HE PHE 112 0.565 -12.582 3.115 891 HE2 PHE 112 2HE PHE 112 0.989 -8.342 3.259 892 HZ PHE 112 HZ PHE 112 -0.303 -10.374 3.777 893 H SER 113 H SER 113 6.901 -9.793 0.497 894 HA SER 113 HA SER 113 8.364 -12.036 -0.642 895 HB2 SER 113 1HB SER 113 7.370 -10.224 -2.076 896 HB3 SER 113 2HB SER 113 8.550 -9.109 -1.387 897 HG SER 113 HG SER 113 10.061 -10.965 -2.133 898 H SER 114 H SER 114 10.337 -12.605 -0.029 899 HA SER 114 HA SER 114 11.739 -11.046 1.955 900 HB2 SER 114 1HB SER 114 13.351 -12.943 1.937 901 HB3 SER 114 2HB SER 114 11.688 -13.463 2.203 902 HG SER 114 HG SER 114 12.211 -14.790 0.630 903 H GLY 115 H GLY 115 12.470 -9.189 0.956 904 HA2 GLY 115 1HA GLY 115 14.138 -9.455 -1.433 905 HA3 GLY 115 2HA GLY 115 13.553 -7.950 -0.739 906 HA PRO 116 HA PRO 116 17.469 -7.273 1.106 907 HB2 PRO 116 1HB PRO 116 16.771 -5.904 3.344 908 HB3 PRO 116 2HB PRO 116 16.689 -5.203 1.724 909 HG2 PRO 116 1HG PRO 116 14.500 -6.380 3.391 910 HG3 PRO 116 2HG PRO 116 14.486 -4.905 2.406 911 HD2 PRO 116 1HD PRO 116 13.396 -7.234 1.557 912 HD3 PRO 116 2HD PRO 116 14.141 -6.067 0.446 913 H SER 117 H SER 117 18.867 -7.996 2.721 914 HA SER 117 HA SER 117 17.818 -10.205 4.327 915 HB2 SER 117 1HB SER 117 20.571 -9.452 3.374 916 HB3 SER 117 2HB SER 117 20.351 -10.620 4.678 917 HG SER 117 HG SER 117 19.524 -12.030 3.303 918 H SER 118 H SER 118 18.449 -10.464 6.542 919 HA SER 118 HA SER 118 18.795 -7.880 7.899 920 HB2 SER 118 1HB SER 118 16.760 -8.946 8.568 921 HB3 SER 118 2HB SER 118 17.576 -10.489 8.817 922 HG SER 118 HG SER 118 18.033 -9.865 10.760 923 H GLY 119 H GLY 119 19.720 -11.304 8.316 924 HA2 GLY 119 1HA GLY 119 21.764 -10.778 10.200 925 HA3 GLY 119 2HA GLY 119 21.579 -12.258 9.270 Start of MODEL 5 1 H1 GLY 1 H GLY 1 20.755 -5.207 -17.398 2 HA2 GLY 1 1HA GLY 1 21.404 -7.996 -18.048 3 HA3 GLY 1 2HA GLY 1 22.243 -6.992 -16.875 4 H SER 2 H SER 2 21.919 -9.096 -15.660 5 HA SER 2 HA SER 2 19.485 -10.046 -14.777 6 HB2 SER 2 1HB SER 2 22.132 -9.895 -13.322 7 HB3 SER 2 2HB SER 2 20.742 -10.803 -12.726 8 HG SER 2 HG SER 2 20.895 -11.712 -15.049 9 H SER 3 H SER 3 18.370 -9.773 -12.738 10 HA SER 3 HA SER 3 18.619 -7.049 -11.643 11 HB2 SER 3 1HB SER 3 16.153 -7.043 -11.357 12 HB3 SER 3 2HB SER 3 16.632 -7.164 -13.050 13 HG SER 3 HG SER 3 15.880 -9.343 -11.390 14 H GLY 4 H GLY 4 18.885 -10.273 -10.993 15 HA2 GLY 4 1HA GLY 4 19.225 -11.394 -9.011 16 HA3 GLY 4 2HA GLY 4 19.071 -9.854 -8.180 17 H SER 5 H SER 5 17.856 -12.801 -8.148 18 HA SER 5 HA SER 5 15.152 -12.798 -8.417 19 HB2 SER 5 1HB SER 5 17.002 -14.145 -6.507 20 HB3 SER 5 2HB SER 5 15.273 -14.232 -6.168 21 HG SER 5 HG SER 5 16.687 -15.628 -7.943 22 H SER 6 H SER 6 16.972 -11.522 -5.655 23 HA SER 6 HA SER 6 14.526 -10.115 -4.807 24 HB2 SER 6 1HB SER 6 15.500 -10.236 -2.469 25 HB3 SER 6 2HB SER 6 14.949 -11.772 -3.139 26 HG SER 6 HG SER 6 17.420 -11.052 -2.329 27 H GLY 7 H GLY 7 14.872 -8.063 -3.724 28 HA2 GLY 7 1HA GLY 7 16.918 -6.554 -3.132 29 HA3 GLY 7 2HA GLY 7 17.189 -6.669 -4.864 30 HA PRO 8 HA PRO 8 13.068 -4.194 -4.135 31 HB2 PRO 8 1HB PRO 8 12.781 -3.159 -1.642 32 HB3 PRO 8 2HB PRO 8 12.139 -4.739 -2.106 33 HG2 PRO 8 1HG PRO 8 14.657 -4.077 -0.628 34 HG3 PRO 8 2HG PRO 8 13.472 -5.356 -0.303 35 HD2 PRO 8 1HD PRO 8 15.817 -5.829 -1.572 36 HD3 PRO 8 2HD PRO 8 14.337 -6.743 -1.929 37 H ASN 9 H ASN 9 16.252 -3.547 -3.411 38 HA ASN 9 HA ASN 9 16.131 -0.744 -2.920 39 HB2 ASN 9 1HB ASN 9 18.455 -2.302 -4.064 40 HB3 ASN 9 2HB ASN 9 18.521 -0.759 -3.218 41 HD21 ASN 9 1HD2 ASN 9 20.014 -1.684 -1.763 42 HD22 ASN 9 2HD2 ASN 9 19.486 -2.726 -0.490 43 H ALA 10 H ALA 10 14.482 -0.480 -4.730 44 HA ALA 10 HA ALA 10 15.681 0.931 -6.854 45 HB1 ALA 10 1HB ALA 10 15.775 -0.492 -8.574 46 HB2 ALA 10 2HB ALA 10 15.707 -1.762 -7.352 47 HB3 ALA 10 3HB ALA 10 14.230 -1.237 -8.161 48 H SER 11 H SER 11 14.279 2.456 -7.439 49 HA SER 11 HA SER 11 11.757 2.746 -6.350 50 HB2 SER 11 1HB SER 11 11.379 4.460 -8.133 51 HB3 SER 11 2HB SER 11 12.923 4.640 -7.301 52 HG SER 11 HG SER 11 12.757 4.656 -9.775 53 H GLN 12 H GLN 12 12.659 1.417 -9.509 54 HA GLN 12 HA GLN 12 10.050 1.027 -10.480 55 HB2 GLN 12 1HB GLN 12 12.181 0.945 -11.821 56 HB3 GLN 12 2HB GLN 12 12.468 -0.653 -11.146 57 HG2 GLN 12 1HG GLN 12 10.295 -1.381 -12.112 58 HG3 GLN 12 2HG GLN 12 10.180 0.190 -12.904 59 HE21 GLN 12 1HE2 GLN 12 11.341 -2.956 -13.121 60 HE22 GLN 12 2HE2 GLN 12 12.333 -2.765 -14.522 61 H SER 13 H SER 13 12.291 -1.306 -8.979 62 HA SER 13 HA SER 13 10.907 -3.593 -8.943 63 HB2 SER 13 1HB SER 13 12.293 -2.381 -6.539 64 HB3 SER 13 2HB SER 13 11.854 -4.082 -6.698 65 HG SER 13 HG SER 13 13.348 -2.950 -8.758 66 H LEU 14 H LEU 14 10.558 -1.406 -6.151 67 HA LEU 14 HA LEU 14 8.361 -2.510 -4.986 68 HB2 LEU 14 1HB LEU 14 9.652 -0.612 -4.086 69 HB3 LEU 14 2HB LEU 14 8.879 0.447 -5.264 70 HG LEU 14 HG LEU 14 6.696 -0.025 -4.191 71 HD11 LEU 14 1HD1 LEU 14 7.099 -0.942 -1.738 72 HD12 LEU 14 2HD1 LEU 14 8.411 -1.799 -2.546 73 HD13 LEU 14 3HD1 LEU 14 6.749 -2.015 -3.093 74 HD21 LEU 14 1HD2 LEU 14 7.003 1.743 -2.863 75 HD22 LEU 14 2HD2 LEU 14 8.685 1.695 -3.393 76 HD23 LEU 14 3HD2 LEU 14 8.212 0.909 -1.886 77 H LEU 15 H LEU 15 8.275 0.063 -7.452 78 HA LEU 15 HA LEU 15 5.540 0.330 -7.703 79 HB2 LEU 15 1HB LEU 15 7.403 1.662 -8.817 80 HB3 LEU 15 2HB LEU 15 7.412 0.405 -10.053 81 HG LEU 15 HG LEU 15 4.824 1.026 -10.142 82 HD11 LEU 15 1HD1 LEU 15 4.406 3.340 -9.787 83 HD12 LEU 15 2HD1 LEU 15 6.102 3.655 -9.422 84 HD13 LEU 15 3HD1 LEU 15 5.122 2.704 -8.306 85 HD21 LEU 15 1HD2 LEU 15 5.610 2.851 -11.859 86 HD22 LEU 15 2HD2 LEU 15 5.932 1.140 -12.145 87 HD23 LEU 15 3HD2 LEU 15 7.205 2.183 -11.508 88 H VAL 16 H VAL 16 7.648 -2.150 -8.992 89 HA VAL 16 HA VAL 16 5.670 -3.298 -10.724 90 HB VAL 16 HB VAL 16 8.240 -4.510 -9.693 91 HG11 VAL 16 1HG1 VAL 16 7.887 -6.305 -11.003 92 HG12 VAL 16 2HG1 VAL 16 6.191 -5.837 -10.868 93 HG13 VAL 16 3HG1 VAL 16 7.131 -5.354 -12.281 94 HG21 VAL 16 1HG2 VAL 16 7.856 -2.346 -11.441 95 HG22 VAL 16 2HG2 VAL 16 9.351 -3.230 -11.131 96 HG23 VAL 16 3HG2 VAL 16 8.292 -3.724 -12.452 97 H TRP 17 H TRP 17 7.028 -4.145 -7.553 98 HA TRP 17 HA TRP 17 5.768 -6.533 -7.072 99 HB2 TRP 17 1HB TRP 17 7.413 -5.397 -5.562 100 HB3 TRP 17 2HB TRP 17 6.113 -4.339 -5.020 101 HD1 TRP 17 HD TRP 17 7.231 -8.015 -4.853 102 HE1 TRP 17 1HE TRP 17 6.052 -9.130 -2.856 103 HE3 TRP 17 3HE TRP 17 4.115 -4.190 -3.510 104 HZ2 TRP 17 2HZ TRP 17 4.063 -8.476 -0.962 105 HZ3 TRP 17 3HZ TRP 17 2.605 -4.516 -1.595 106 HH2 TRP 17 HH TRP 17 2.581 -6.616 -0.349 107 H CYS 18 H CYS 18 4.460 -3.275 -6.543 108 HA CYS 18 HA CYS 18 1.956 -4.187 -5.542 109 HB2 CYS 18 1HB CYS 18 2.409 -1.503 -6.829 110 HB3 CYS 18 2HB CYS 18 1.297 -1.921 -5.531 111 HG CYS 18 HG CYS 18 3.623 -0.266 -4.812 112 H LYS 19 H LYS 19 2.743 -2.550 -8.615 113 HA LYS 19 HA LYS 19 0.339 -2.867 -9.900 114 HB2 LYS 19 1HB LYS 19 3.134 -2.949 -11.042 115 HB3 LYS 19 2HB LYS 19 1.685 -2.861 -12.034 116 HG2 LYS 19 1HG LYS 19 1.136 -0.716 -11.217 117 HG3 LYS 19 2HG LYS 19 2.320 -0.832 -9.912 118 HD2 LYS 19 1HD LYS 19 3.368 0.542 -11.474 119 HD3 LYS 19 2HD LYS 19 4.059 -1.049 -11.803 120 HE2 LYS 19 1HE LYS 19 2.753 -1.337 -13.730 121 HE3 LYS 19 2HE LYS 19 1.646 -0.042 -13.278 122 HZ1 LYS 19 1HZ LYS 19 2.864 1.316 -14.507 123 HZ2 LYS 19 2HZ LYS 19 4.005 0.107 -14.819 124 HZ3 LYS 19 3HZ LYS 19 4.168 1.092 -13.453 125 H GLU 20 H GLU 20 2.735 -5.275 -9.213 126 HA GLU 20 HA GLU 20 1.838 -7.203 -11.118 127 HB2 GLU 20 1HB GLU 20 4.117 -7.104 -9.962 128 HB3 GLU 20 2HB GLU 20 3.317 -7.811 -8.565 129 HG2 GLU 20 1HG GLU 20 2.874 -9.813 -9.686 130 HG3 GLU 20 2HG GLU 20 3.182 -9.098 -11.267 131 H VAL 21 H VAL 21 1.509 -7.025 -7.569 132 HA VAL 21 HA VAL 21 -0.287 -9.175 -7.339 133 HB VAL 21 HB VAL 21 -0.732 -8.417 -5.103 134 HG11 VAL 21 1HG1 VAL 21 1.309 -8.976 -4.400 135 HG12 VAL 21 2HG1 VAL 21 1.797 -8.942 -6.096 136 HG13 VAL 21 3HG1 VAL 21 2.025 -7.516 -5.082 137 HG21 VAL 21 1HG2 VAL 21 -0.723 -6.281 -4.426 138 HG22 VAL 21 2HG2 VAL 21 0.818 -5.939 -5.213 139 HG23 VAL 21 3HG2 VAL 21 -0.678 -5.888 -6.145 140 H THR 22 H THR 22 -0.744 -5.895 -8.301 141 HA THR 22 HA THR 22 -3.666 -6.204 -8.110 142 HB THR 22 HB THR 22 -3.867 -3.809 -8.202 143 HG1 THR 22 1HG THR 22 -1.180 -3.970 -8.972 144 HG21 THR 22 1HG2 THR 22 -3.448 -3.671 -6.018 145 HG22 THR 22 2HG2 THR 22 -1.710 -3.641 -6.315 146 HG23 THR 22 3HG2 THR 22 -2.547 -5.182 -6.132 147 H LYS 23 H LYS 23 -1.796 -7.245 -10.214 148 HA LYS 23 HA LYS 23 -2.086 -5.733 -12.576 149 HB2 LYS 23 1HB LYS 23 -1.414 -7.753 -13.748 150 HB3 LYS 23 2HB LYS 23 -0.429 -7.540 -12.307 151 HG2 LYS 23 1HG LYS 23 -1.850 -9.180 -11.133 152 HG3 LYS 23 2HG LYS 23 -2.747 -9.434 -12.632 153 HD2 LYS 23 1HD LYS 23 -0.921 -10.428 -13.695 154 HD3 LYS 23 2HD LYS 23 0.233 -9.761 -12.538 155 HE2 LYS 23 1HE LYS 23 -0.435 -11.274 -10.853 156 HE3 LYS 23 2HE LYS 23 -1.879 -11.749 -11.746 157 HZ1 LYS 23 1HZ LYS 23 -0.049 -13.397 -11.820 158 HZ2 LYS 23 2HZ LYS 23 0.889 -12.280 -12.675 159 HZ3 LYS 23 3HZ LYS 23 -0.545 -12.872 -13.350 160 H ASN 24 H ASN 24 -4.136 -8.099 -11.002 161 HA ASN 24 HA ASN 24 -6.118 -7.757 -13.155 162 HB2 ASN 24 1HB ASN 24 -5.647 -10.071 -11.272 163 HB3 ASN 24 2HB ASN 24 -7.094 -9.919 -12.263 164 HD21 ASN 24 1HD2 ASN 24 -5.778 -12.117 -12.683 165 HD22 ASN 24 2HD2 ASN 24 -4.846 -12.069 -14.138 166 H TYR 25 H TYR 25 -6.211 -5.700 -11.581 167 HA TYR 25 HA TYR 25 -8.395 -6.244 -9.678 168 HB2 TYR 25 1HB TYR 25 -6.027 -4.419 -9.454 169 HB3 TYR 25 2HB TYR 25 -7.517 -4.026 -8.604 170 HD1 TYR 25 2HD TYR 25 -5.673 -7.228 -9.185 171 HD2 TYR 25 1HD TYR 25 -7.296 -4.494 -6.358 172 HE1 TYR 25 2HE TYR 25 -5.024 -8.741 -7.358 173 HE2 TYR 25 1HE TYR 25 -6.650 -5.999 -4.523 174 HH TYR 25 HH TYR 25 -6.217 -8.737 -4.454 175 H ARG 26 H ARG 26 -9.628 -4.102 -9.207 176 HA ARG 26 HA ARG 26 -10.211 -2.842 -11.805 177 HB2 ARG 26 1HB ARG 26 -11.969 -4.309 -10.569 178 HB3 ARG 26 2HB ARG 26 -12.150 -2.912 -9.516 179 HG2 ARG 26 1HG ARG 26 -12.706 -1.532 -11.474 180 HG3 ARG 26 2HG ARG 26 -12.580 -2.966 -12.495 181 HD2 ARG 26 1HD ARG 26 -14.842 -2.908 -12.103 182 HD3 ARG 26 2HD ARG 26 -14.303 -3.958 -10.793 183 HE ARG 26 HE ARG 26 -15.022 -2.382 -9.314 184 HH11 ARG 26 1HH1 ARG 26 -14.539 -0.860 -12.407 185 HH12 ARG 26 2HH1 ARG 26 -15.169 0.672 -11.898 186 HH21 ARG 26 1HH2 ARG 26 -15.853 -0.370 -8.632 187 HH22 ARG 26 2HH2 ARG 26 -15.915 0.949 -9.750 188 H GLY 27 H GLY 27 -9.373 -0.863 -11.914 189 HA2 GLY 27 1HA GLY 27 -9.119 1.378 -11.401 190 HA3 GLY 27 2HA GLY 27 -10.073 1.114 -9.949 191 H VAL 28 H VAL 28 -7.002 -0.306 -11.052 192 HA VAL 28 HA VAL 28 -5.710 0.841 -8.669 193 HB VAL 28 HB VAL 28 -5.332 -1.980 -9.684 194 HG11 VAL 28 1HG1 VAL 28 -3.847 -0.297 -7.739 195 HG12 VAL 28 2HG1 VAL 28 -4.071 -2.004 -7.354 196 HG13 VAL 28 3HG1 VAL 28 -3.257 -1.535 -8.847 197 HG21 VAL 28 1HG2 VAL 28 -7.416 -1.797 -8.508 198 HG22 VAL 28 2HG2 VAL 28 -6.253 -2.606 -7.458 199 HG23 VAL 28 3HG2 VAL 28 -6.649 -0.908 -7.192 200 H LYS 29 H LYS 29 -4.754 2.443 -9.958 201 HA LYS 29 HA LYS 29 -2.681 1.457 -11.807 202 HB2 LYS 29 1HB LYS 29 -4.650 2.876 -12.725 203 HB3 LYS 29 2HB LYS 29 -3.835 4.227 -11.949 204 HG2 LYS 29 1HG LYS 29 -1.837 3.795 -13.279 205 HG3 LYS 29 2HG LYS 29 -2.643 2.426 -14.050 206 HD2 LYS 29 1HD LYS 29 -4.156 3.810 -15.182 207 HD3 LYS 29 2HD LYS 29 -3.824 5.186 -14.127 208 HE2 LYS 29 1HE LYS 29 -2.618 5.814 -15.959 209 HE3 LYS 29 2HE LYS 29 -1.386 4.887 -15.104 210 HZ1 LYS 29 1HZ LYS 29 -3.023 4.036 -17.420 211 HZ2 LYS 29 2HZ LYS 29 -2.155 2.936 -16.474 212 HZ3 LYS 29 3HZ LYS 29 -1.338 4.152 -17.319 213 H ILE 30 H ILE 30 -1.023 1.340 -10.321 214 HA ILE 30 HA ILE 30 -0.432 3.452 -8.491 215 HB ILE 30 HB ILE 30 1.265 1.125 -9.400 216 HG12 ILE 30 1HG1 ILE 30 0.642 0.540 -6.873 217 HG13 ILE 30 2HG1 ILE 30 -0.761 1.533 -7.253 218 HG21 ILE 30 1HG2 ILE 30 1.858 3.426 -7.711 219 HG22 ILE 30 2HG2 ILE 30 2.172 1.880 -6.924 220 HG23 ILE 30 3HG2 ILE 30 2.947 2.260 -8.462 221 HD11 ILE 30 1HD1 ILE 30 -0.228 -1.187 -7.938 222 HD12 ILE 30 2HD1 ILE 30 -1.701 -0.243 -8.167 223 HD13 ILE 30 3HD1 ILE 30 -0.446 -0.234 -9.406 224 H THR 31 H THR 31 -0.568 5.071 -10.356 225 HA THR 31 HA THR 31 1.747 5.250 -12.064 226 HB THR 31 HB THR 31 -0.301 7.414 -11.582 227 HG1 THR 31 1HG THR 31 -1.423 6.458 -13.354 228 HG21 THR 31 1HG2 THR 31 0.600 8.480 -13.350 229 HG22 THR 31 2HG2 THR 31 0.844 6.984 -14.251 230 HG23 THR 31 3HG2 THR 31 2.013 7.477 -13.026 231 H ASN 32 H ASN 32 0.917 6.271 -8.908 232 HA ASN 32 HA ASN 32 3.442 7.728 -8.715 233 HB2 ASN 32 1HB ASN 32 0.998 8.907 -7.425 234 HB3 ASN 32 2HB ASN 32 2.536 9.681 -7.799 235 HD21 ASN 32 1HD2 ASN 32 -0.481 9.971 -8.535 236 HD22 ASN 32 2HD2 ASN 32 -0.417 10.317 -10.227 237 H PHE 33 H PHE 33 3.631 8.450 -6.234 238 HA PHE 33 HA PHE 33 2.835 6.131 -4.601 239 HB2 PHE 33 1HB PHE 33 5.508 7.443 -4.909 240 HB3 PHE 33 2HB PHE 33 5.084 6.709 -3.366 241 HD1 PHE 33 2HD PHE 33 4.176 4.259 -3.506 242 HD2 PHE 33 1HD PHE 33 6.502 6.149 -6.528 243 HE1 PHE 33 2HE PHE 33 4.835 2.053 -4.373 244 HE2 PHE 33 1HE PHE 33 7.165 3.946 -7.401 245 HZ PHE 33 HZ PHE 33 6.332 1.894 -6.322 246 H THR 34 H THR 34 1.764 8.928 -4.965 247 HA THR 34 HA THR 34 1.839 9.693 -2.121 248 HB THR 34 HB THR 34 1.468 12.064 -2.876 249 HG1 THR 34 1HG THR 34 2.103 10.883 -5.387 250 HG21 THR 34 1HG2 THR 34 4.051 11.538 -4.089 251 HG22 THR 34 2HG2 THR 34 3.825 10.623 -2.598 252 HG23 THR 34 3HG2 THR 34 3.662 12.379 -2.589 253 H THR 35 H THR 35 -0.016 10.719 -4.985 254 HA THR 35 HA THR 35 -2.453 10.836 -3.490 255 HB THR 35 HB THR 35 -3.523 11.461 -5.577 256 HG1 THR 35 1HG THR 35 -2.332 11.396 -7.528 257 HG21 THR 35 1HG2 THR 35 -2.117 13.402 -6.202 258 HG22 THR 35 2HG2 THR 35 -0.795 12.715 -5.258 259 HG23 THR 35 3HG2 THR 35 -2.284 13.214 -4.457 260 H SER 36 H SER 36 -1.193 8.699 -6.032 261 HA SER 36 HA SER 36 -3.326 7.078 -6.518 262 HB2 SER 36 1HB SER 36 -0.385 6.617 -6.454 263 HB3 SER 36 2HB SER 36 -1.426 5.197 -6.555 264 HG SER 36 HG SER 36 -1.538 5.649 -8.597 265 H TRP 37 H TRP 37 -1.499 7.305 -3.592 266 HA TRP 37 HA TRP 37 -2.881 4.952 -2.496 267 HB2 TRP 37 1HB TRP 37 -0.512 6.441 -1.345 268 HB3 TRP 37 2HB TRP 37 -1.194 4.932 -0.747 269 HD1 TRP 37 HD TRP 37 0.865 6.321 -3.679 270 HE1 TRP 37 1HE TRP 37 2.110 4.365 -4.796 271 HE3 TRP 37 3HE TRP 37 -1.234 2.442 -1.095 272 HZ2 TRP 37 2HZ TRP 37 2.191 1.550 -4.608 273 HZ3 TRP 37 3HZ TRP 37 -0.519 0.148 -1.624 274 HH2 TRP 37 HH TRP 37 1.158 -0.287 -3.345 275 H ARG 38 H ARG 38 -2.596 8.390 -2.282 276 HA ARG 38 HA ARG 38 -3.338 9.143 0.178 277 HB2 ARG 38 1HB ARG 38 -3.173 10.834 -1.456 278 HB3 ARG 38 2HB ARG 38 -4.396 10.086 -2.475 279 HG2 ARG 38 1HG ARG 38 -6.145 10.829 -1.136 280 HG3 ARG 38 2HG ARG 38 -5.088 11.119 0.247 281 HD2 ARG 38 1HD ARG 38 -5.387 13.266 -0.471 282 HD3 ARG 38 2HD ARG 38 -3.962 12.830 -1.413 283 HE ARG 38 HE ARG 38 -5.239 12.876 -3.332 284 HH11 ARG 38 1HH1 ARG 38 -7.287 13.109 -0.527 285 HH12 ARG 38 2HH1 ARG 38 -8.701 13.533 -1.433 286 HH21 ARG 38 1HH2 ARG 38 -7.093 13.434 -4.537 287 HH22 ARG 38 2HH2 ARG 38 -8.590 13.717 -3.714 288 H ASN 39 H ASN 39 -5.677 8.010 -2.263 289 HA ASN 39 HA ASN 39 -7.927 8.075 -0.588 290 HB2 ASN 39 1HB ASN 39 -8.713 6.220 -2.299 291 HB3 ASN 39 2HB ASN 39 -8.524 7.895 -2.808 292 HD21 ASN 39 1HD2 ASN 39 -8.345 6.936 -4.940 293 HD22 ASN 39 2HD2 ASN 39 -6.808 6.354 -5.473 294 H GLY 40 H GLY 40 -5.624 5.479 -1.310 295 HA2 GLY 40 1HA GLY 40 -4.982 3.917 0.398 296 HA3 GLY 40 2HA GLY 40 -6.583 4.091 1.103 297 H LEU 41 H LEU 41 -5.975 3.639 -2.325 298 HA LEU 41 HA LEU 41 -7.632 1.258 -2.286 299 HB2 LEU 41 1HB LEU 41 -6.391 2.852 -4.517 300 HB3 LEU 41 2HB LEU 41 -7.329 1.383 -4.779 301 HG LEU 41 HG LEU 41 -8.347 3.964 -3.592 302 HD11 LEU 41 1HD1 LEU 41 -8.045 4.229 -5.934 303 HD12 LEU 41 2HD1 LEU 41 -9.763 3.942 -5.661 304 HD13 LEU 41 3HD1 LEU 41 -8.738 2.642 -6.267 305 HD21 LEU 41 1HD2 LEU 41 -9.529 2.203 -2.541 306 HD22 LEU 41 2HD2 LEU 41 -9.666 1.298 -4.048 307 HD23 LEU 41 3HD2 LEU 41 -10.570 2.798 -3.834 308 H SER 42 H SER 42 -4.535 2.024 -3.885 309 HA SER 42 HA SER 42 -3.726 -0.542 -4.440 310 HB2 SER 42 1HB SER 42 -2.063 1.874 -3.708 311 HB3 SER 42 2HB SER 42 -1.372 0.372 -4.321 312 HG SER 42 HG SER 42 -3.152 2.141 -5.631 313 H PHE 43 H PHE 43 -3.747 1.101 -1.384 314 HA PHE 43 HA PHE 43 -1.930 -0.607 -0.023 315 HB2 PHE 43 1HB PHE 43 -3.916 1.467 0.760 316 HB3 PHE 43 2HB PHE 43 -3.402 0.330 2.002 317 HD1 PHE 43 2HD PHE 43 -0.622 -0.094 1.547 318 HD2 PHE 43 1HD PHE 43 -2.880 3.484 1.088 319 HE1 PHE 43 2HE PHE 43 1.415 1.235 1.920 320 HE2 PHE 43 1HE PHE 43 -0.846 4.819 1.459 321 HZ PHE 43 HZ PHE 43 1.304 3.695 1.877 322 H CYS 44 H CYS 44 -5.482 -0.493 -0.168 323 HA CYS 44 HA CYS 44 -5.830 -2.827 1.432 324 HB2 CYS 44 1HB CYS 44 -7.656 -1.199 -0.319 325 HB3 CYS 44 2HB CYS 44 -8.205 -2.700 0.418 326 HG CYS 44 HG CYS 44 -7.526 0.275 1.876 327 H ALA 45 H ALA 45 -5.801 -2.186 -2.042 328 HA ALA 45 HA ALA 45 -6.684 -4.601 -3.032 329 HB1 ALA 45 1HB ALA 45 -4.371 -3.135 -4.263 330 HB2 ALA 45 2HB ALA 45 -5.653 -4.045 -5.063 331 HB3 ALA 45 3HB ALA 45 -6.014 -2.495 -4.303 332 H ILE 46 H ILE 46 -3.295 -3.725 -2.336 333 HA ILE 46 HA ILE 46 -2.062 -6.095 -2.953 334 HB ILE 46 HB ILE 46 -1.450 -4.130 -0.755 335 HG12 ILE 46 1HG1 ILE 46 0.222 -4.668 -3.183 336 HG13 ILE 46 2HG1 ILE 46 -1.232 -3.688 -3.333 337 HG21 ILE 46 1HG2 ILE 46 -0.577 -6.280 -0.052 338 HG22 ILE 46 2HG2 ILE 46 0.197 -6.502 -1.621 339 HG23 ILE 46 3HG2 ILE 46 0.745 -5.220 -0.542 340 HD11 ILE 46 1HD1 ILE 46 1.361 -3.044 -2.154 341 HD12 ILE 46 2HD1 ILE 46 0.133 -1.990 -2.856 342 HD13 ILE 46 3HD1 ILE 46 -0.026 -2.541 -1.188 343 H LEU 47 H LEU 47 -2.982 -5.213 0.382 344 HA LEU 47 HA LEU 47 -2.589 -7.669 1.559 345 HB2 LEU 47 1HB LEU 47 -3.119 -5.541 2.728 346 HB3 LEU 47 2HB LEU 47 -4.800 -5.736 2.238 347 HG LEU 47 HG LEU 47 -4.903 -7.825 3.563 348 HD11 LEU 47 1HD1 LEU 47 -2.803 -8.703 3.774 349 HD12 LEU 47 2HD1 LEU 47 -2.960 -7.893 5.332 350 HD13 LEU 47 3HD1 LEU 47 -2.048 -7.130 4.030 351 HD21 LEU 47 1HD2 LEU 47 -3.927 -5.698 5.410 352 HD22 LEU 47 2HD2 LEU 47 -5.342 -6.742 5.540 353 HD23 LEU 47 3HD2 LEU 47 -5.346 -5.387 4.410 354 H HIS 48 H HIS 48 -5.170 -6.652 -0.520 355 HA HIS 48 HA HIS 48 -6.987 -8.752 0.171 356 HB2 HIS 48 1HB HIS 48 -7.570 -6.515 -0.918 357 HB3 HIS 48 2HB HIS 48 -6.971 -7.210 -2.421 358 HD1 HIS 48 1HD HIS 48 -8.368 -9.149 -3.468 359 HD2 HIS 48 2HD HIS 48 -10.072 -7.405 -0.103 360 HE1 HIS 48 1HE HIS 48 -10.755 -9.942 -3.435 361 HE2 HIS 48 2HE HIS 48 -11.789 -8.806 -1.439 362 H HIS 49 H HIS 49 -4.487 -8.293 -2.260 363 HA HIS 49 HA HIS 49 -5.002 -10.366 -3.994 364 HB2 HIS 49 1HB HIS 49 -3.101 -8.614 -4.017 365 HB3 HIS 49 2HB HIS 49 -2.200 -9.788 -3.063 366 HD1 HIS 49 1HD HIS 49 -4.436 -10.536 -6.030 367 HD2 HIS 49 2HD HIS 49 -0.432 -10.691 -4.933 368 HE1 HIS 49 1HE HIS 49 -3.264 -11.698 -7.927 369 HE2 HIS 49 2HE HIS 49 -0.857 -11.856 -7.202 370 H PHE 50 H PHE 50 -2.953 -10.542 -1.080 371 HA PHE 50 HA PHE 50 -2.680 -13.377 -1.234 372 HB2 PHE 50 1HB PHE 50 -2.217 -11.679 1.217 373 HB3 PHE 50 2HB PHE 50 -1.466 -13.219 0.811 374 HD1 PHE 50 2HD PHE 50 -1.522 -9.622 0.114 375 HD2 PHE 50 1HD PHE 50 0.382 -13.338 -0.712 376 HE1 PHE 50 2HE PHE 50 0.355 -8.423 -0.931 377 HE2 PHE 50 1HE PHE 50 2.263 -12.145 -1.757 378 HZ PHE 50 HZ PHE 50 2.251 -9.685 -1.869 379 H ARG 51 H ARG 51 -4.661 -11.184 0.718 380 HA ARG 51 HA ARG 51 -6.427 -13.448 1.332 381 HB2 ARG 51 1HB ARG 51 -5.006 -11.681 3.232 382 HB3 ARG 51 2HB ARG 51 -6.702 -11.983 3.588 383 HG2 ARG 51 1HG ARG 51 -4.997 -14.320 2.939 384 HG3 ARG 51 2HG ARG 51 -4.767 -13.535 4.503 385 HD2 ARG 51 1HD ARG 51 -6.363 -15.289 4.790 386 HD3 ARG 51 2HD ARG 51 -7.222 -13.752 4.890 387 HE ARG 51 HE ARG 51 -8.448 -14.402 3.087 388 HH11 ARG 51 1HH1 ARG 51 -5.466 -16.198 3.093 389 HH12 ARG 51 2HH1 ARG 51 -5.900 -17.176 1.731 390 HH21 ARG 51 1HH2 ARG 51 -9.031 -15.684 1.292 391 HH22 ARG 51 2HH2 ARG 51 -7.928 -16.882 0.706 392 HA PRO 52 HA PRO 52 -8.969 -10.120 -0.465 393 HB2 PRO 52 1HB PRO 52 -10.857 -11.811 -1.439 394 HB3 PRO 52 2HB PRO 52 -9.345 -11.467 -2.288 395 HG2 PRO 52 1HG PRO 52 -10.062 -13.812 -0.572 396 HG3 PRO 52 2HG PRO 52 -9.198 -13.781 -2.120 397 HD2 PRO 52 1HD PRO 52 -7.921 -14.015 0.256 398 HD3 PRO 52 2HD PRO 52 -7.200 -13.184 -1.137 399 H ASP 53 H ASP 53 -9.227 -12.046 2.186 400 HA ASP 53 HA ASP 53 -11.985 -11.205 2.778 401 HB2 ASP 53 1HB ASP 53 -11.282 -13.687 2.884 402 HB3 ASP 53 2HB ASP 53 -10.436 -13.241 4.363 403 H LEU 54 H LEU 54 -8.663 -10.980 3.780 404 HA LEU 54 HA LEU 54 -8.900 -10.083 6.386 405 HB2 LEU 54 1HB LEU 54 -6.935 -9.671 4.202 406 HB3 LEU 54 2HB LEU 54 -6.829 -8.606 5.603 407 HG LEU 54 HG LEU 54 -6.660 -11.619 5.669 408 HD11 LEU 54 1HD1 LEU 54 -4.411 -9.826 6.410 409 HD12 LEU 54 2HD1 LEU 54 -4.740 -10.089 4.698 410 HD13 LEU 54 3HD1 LEU 54 -4.388 -11.461 5.749 411 HD21 LEU 54 1HD2 LEU 54 -7.220 -11.366 7.811 412 HD22 LEU 54 2HD2 LEU 54 -7.087 -9.609 7.723 413 HD23 LEU 54 3HD2 LEU 54 -5.650 -10.589 8.022 414 H ILE 55 H ILE 55 -9.421 -8.357 3.377 415 HA ILE 55 HA ILE 55 -10.316 -6.026 4.944 416 HB ILE 55 HB ILE 55 -9.465 -5.646 2.119 417 HG12 ILE 55 1HG1 ILE 55 -7.133 -5.092 3.308 418 HG13 ILE 55 2HG1 ILE 55 -7.662 -6.394 4.367 419 HG21 ILE 55 1HG2 ILE 55 -9.893 -4.054 4.541 420 HG22 ILE 55 2HG2 ILE 55 -8.473 -3.593 3.603 421 HG23 ILE 55 3HG2 ILE 55 -10.064 -3.609 2.843 422 HD11 ILE 55 1HD1 ILE 55 -8.106 -7.360 1.808 423 HD12 ILE 55 2HD1 ILE 55 -6.564 -6.511 1.707 424 HD13 ILE 55 3HD1 ILE 55 -6.787 -7.795 2.895 425 H ASP 56 H ASP 56 -11.659 -4.558 3.239 426 HA ASP 56 HA ASP 56 -13.726 -6.351 2.143 427 HB2 ASP 56 1HB ASP 56 -14.344 -4.931 4.158 428 HB3 ASP 56 2HB ASP 56 -14.180 -3.527 3.106 429 H TYR 57 H TYR 57 -11.332 -5.251 0.802 430 HA TYR 57 HA TYR 57 -11.862 -3.095 -0.853 431 HB2 TYR 57 1HB TYR 57 -9.672 -4.303 -0.626 432 HB3 TYR 57 2HB TYR 57 -10.323 -5.568 -1.662 433 HD1 TYR 57 2HD TYR 57 -11.191 -4.805 -3.993 434 HD2 TYR 57 1HD TYR 57 -8.555 -2.500 -1.576 435 HE1 TYR 57 2HE TYR 57 -10.472 -3.551 -5.983 436 HE2 TYR 57 1HE TYR 57 -7.829 -1.239 -3.559 437 HH TYR 57 HH TYR 57 -8.495 -2.229 -6.711 438 H LYS 58 H LYS 58 -13.251 -6.226 -0.867 439 HA LYS 58 HA LYS 58 -13.986 -6.452 -3.576 440 HB2 LYS 58 1HB LYS 58 -15.534 -8.144 -2.858 441 HB3 LYS 58 2HB LYS 58 -14.069 -8.298 -1.897 442 HG2 LYS 58 1HG LYS 58 -15.357 -6.799 -0.201 443 HG3 LYS 58 2HG LYS 58 -16.779 -7.358 -1.084 444 HD2 LYS 58 1HD LYS 58 -14.762 -9.361 -0.184 445 HD3 LYS 58 2HD LYS 58 -15.873 -8.678 1.005 446 HE2 LYS 58 1HE LYS 58 -17.769 -9.366 -0.397 447 HE3 LYS 58 2HE LYS 58 -16.645 -10.074 -1.557 448 HZ1 LYS 58 1HZ LYS 58 -16.159 -11.036 1.076 449 HZ2 LYS 58 2HZ LYS 58 -16.492 -11.904 -0.337 450 HZ3 LYS 58 3HZ LYS 58 -17.762 -11.322 0.617 451 H SER 59 H SER 59 -15.212 -4.513 -1.005 452 HA SER 59 HA SER 59 -17.307 -3.506 -2.801 453 HB2 SER 59 1HB SER 59 -18.293 -5.028 -1.065 454 HB3 SER 59 2HB SER 59 -17.705 -3.916 0.171 455 HG SER 59 HG SER 59 -19.519 -2.916 -0.159 456 H LEU 60 H LEU 60 -14.630 -2.536 -2.150 457 HA LEU 60 HA LEU 60 -15.118 -0.176 -0.510 458 HB2 LEU 60 1HB LEU 60 -12.696 -1.471 -1.683 459 HB3 LEU 60 2HB LEU 60 -12.629 0.219 -1.190 460 HG LEU 60 HG LEU 60 -13.024 -2.217 0.522 461 HD11 LEU 60 1HD1 LEU 60 -10.753 -1.061 -0.170 462 HD12 LEU 60 2HD1 LEU 60 -11.015 -1.688 1.457 463 HD13 LEU 60 3HD1 LEU 60 -11.192 0.037 1.139 464 HD21 LEU 60 1HD2 LEU 60 -14.667 -0.840 1.422 465 HD22 LEU 60 2HD2 LEU 60 -13.754 0.632 1.093 466 HD23 LEU 60 3HD2 LEU 60 -13.242 -0.453 2.386 467 H ASN 61 H ASN 61 -13.663 1.778 -1.562 468 HA ASN 61 HA ASN 61 -13.885 2.171 -4.346 469 HB2 ASN 61 1HB ASN 61 -16.172 3.082 -2.647 470 HB3 ASN 61 2HB ASN 61 -15.674 4.084 -4.007 471 HD21 ASN 61 1HD2 ASN 61 -14.990 2.271 -5.887 472 HD22 ASN 61 2HD2 ASN 61 -16.363 1.324 -6.336 473 HA PRO 62 HA PRO 62 -11.211 5.525 -3.429 474 HB2 PRO 62 1HB PRO 62 -11.773 7.278 -5.425 475 HB3 PRO 62 2HB PRO 62 -10.896 5.767 -5.693 476 HG2 PRO 62 1HG PRO 62 -13.787 6.387 -6.161 477 HG3 PRO 62 2HG PRO 62 -12.656 5.483 -7.185 478 HD2 PRO 62 1HD PRO 62 -14.463 4.262 -5.580 479 HD3 PRO 62 2HD PRO 62 -12.876 3.555 -5.942 480 H GLN 63 H GLN 63 -14.448 5.739 -2.906 481 HA GLN 63 HA GLN 63 -14.657 8.578 -2.446 482 HB2 GLN 63 1HB GLN 63 -16.880 7.961 -1.456 483 HB3 GLN 63 2HB GLN 63 -16.655 7.460 -3.127 484 HG2 GLN 63 1HG GLN 63 -17.757 5.752 -1.743 485 HG3 GLN 63 2HG GLN 63 -16.240 5.196 -2.449 486 HE21 GLN 63 1HE2 GLN 63 -15.408 3.802 -1.059 487 HE22 GLN 63 2HE2 GLN 63 -15.190 4.072 0.633 488 H ASP 64 H ASP 64 -13.194 6.104 -0.809 489 HA ASP 64 HA ASP 64 -13.521 7.482 1.777 490 HB2 ASP 64 1HB ASP 64 -13.419 4.577 1.099 491 HB3 ASP 64 2HB ASP 64 -12.711 5.101 2.624 492 H ILE 65 H ILE 65 -11.760 8.616 2.230 493 HA ILE 65 HA ILE 65 -9.162 7.716 1.225 494 HB ILE 65 HB ILE 65 -9.938 10.347 2.490 495 HG12 ILE 65 1HG1 ILE 65 -9.530 9.493 -0.376 496 HG13 ILE 65 2HG1 ILE 65 -10.973 10.195 0.345 497 HG21 ILE 65 1HG2 ILE 65 -7.521 9.486 2.714 498 HG22 ILE 65 2HG2 ILE 65 -7.405 9.810 0.985 499 HG23 ILE 65 3HG2 ILE 65 -7.777 11.121 2.103 500 HD11 ILE 65 1HD1 ILE 65 -8.369 11.672 0.129 501 HD12 ILE 65 2HD1 ILE 65 -9.621 11.722 -1.112 502 HD13 ILE 65 3HD1 ILE 65 -9.962 12.323 0.510 503 H LYS 66 H LYS 66 -10.707 8.773 4.244 504 HA LYS 66 HA LYS 66 -8.424 8.149 5.855 505 HB2 LYS 66 1HB LYS 66 -10.299 9.839 6.354 506 HB3 LYS 66 2HB LYS 66 -11.241 8.449 6.875 507 HG2 LYS 66 1HG LYS 66 -9.972 8.109 8.739 508 HG3 LYS 66 2HG LYS 66 -8.520 8.804 8.013 509 HD2 LYS 66 1HD LYS 66 -9.111 10.431 9.542 510 HD3 LYS 66 2HD LYS 66 -9.887 11.022 8.070 511 HE2 LYS 66 1HE LYS 66 -11.985 9.896 8.812 512 HE3 LYS 66 2HE LYS 66 -11.183 9.506 10.333 513 HZ1 LYS 66 1HZ LYS 66 -11.576 11.537 11.093 514 HZ2 LYS 66 2HZ LYS 66 -12.557 11.809 9.743 515 HZ3 LYS 66 3HZ LYS 66 -10.930 12.270 9.712 516 H GLU 67 H GLU 67 -11.591 6.615 5.339 517 HA GLU 67 HA GLU 67 -11.194 4.436 7.061 518 HB2 GLU 67 1HB GLU 67 -13.396 5.051 6.182 519 HB3 GLU 67 2HB GLU 67 -12.886 4.604 4.560 520 HG2 GLU 67 1HG GLU 67 -12.463 2.279 5.531 521 HG3 GLU 67 2HG GLU 67 -13.410 2.827 6.913 522 H ASN 68 H ASN 68 -11.124 4.343 3.494 523 HA ASN 68 HA ASN 68 -10.175 1.904 2.977 524 HB2 ASN 68 1HB ASN 68 -9.447 4.540 1.745 525 HB3 ASN 68 2HB ASN 68 -8.676 3.064 1.172 526 HD21 ASN 68 1HD2 ASN 68 -9.758 3.743 -0.836 527 HD22 ASN 68 2HD2 ASN 68 -11.385 3.225 -1.100 528 H ASN 69 H ASN 69 -7.998 4.624 3.745 529 HA ASN 69 HA ASN 69 -5.642 3.106 3.848 530 HB2 ASN 69 1HB ASN 69 -6.460 5.774 4.942 531 HB3 ASN 69 2HB ASN 69 -4.910 5.081 5.410 532 HD21 ASN 69 1HD2 ASN 69 -6.874 5.889 2.587 533 HD22 ASN 69 2HD2 ASN 69 -5.545 6.283 1.556 534 H LYS 70 H LYS 70 -7.876 4.093 6.423 535 HA LYS 70 HA LYS 70 -6.505 3.069 8.608 536 HB2 LYS 70 1HB LYS 70 -8.461 4.470 8.884 537 HB3 LYS 70 2HB LYS 70 -9.483 3.256 8.126 538 HG2 LYS 70 1HG LYS 70 -9.906 3.010 10.396 539 HG3 LYS 70 2HG LYS 70 -8.754 1.720 10.041 540 HD2 LYS 70 1HD LYS 70 -6.936 3.064 10.920 541 HD3 LYS 70 2HD LYS 70 -8.037 4.416 11.195 542 HE2 LYS 70 1HE LYS 70 -8.334 1.709 12.486 543 HE3 LYS 70 2HE LYS 70 -7.496 3.067 13.234 544 HZ1 LYS 70 1HZ LYS 70 -9.677 3.093 14.071 545 HZ2 LYS 70 2HZ LYS 70 -10.368 2.862 12.545 546 HZ3 LYS 70 3HZ LYS 70 -9.629 4.336 12.924 547 H LYS 71 H LYS 71 -8.637 1.443 6.321 548 HA LYS 71 HA LYS 71 -9.024 -0.977 7.594 549 HB2 LYS 71 1HB LYS 71 -8.606 -0.433 4.650 550 HB3 LYS 71 2HB LYS 71 -9.210 -1.951 5.301 551 HG2 LYS 71 1HG LYS 71 -10.972 -0.331 6.437 552 HG3 LYS 71 2HG LYS 71 -10.552 0.679 5.051 553 HD2 LYS 71 1HD LYS 71 -11.452 -0.783 3.542 554 HD3 LYS 71 2HD LYS 71 -11.133 -2.193 4.554 555 HE2 LYS 71 1HE LYS 71 -13.107 -0.190 5.518 556 HE3 LYS 71 2HE LYS 71 -13.582 -1.248 4.191 557 HZ1 LYS 71 1HZ LYS 71 -12.406 -2.334 6.673 558 HZ2 LYS 71 2HZ LYS 71 -13.335 -3.134 5.508 559 HZ3 LYS 71 3HZ LYS 71 -14.064 -2.020 6.553 560 H ALA 72 H ALA 72 -6.392 -0.159 5.329 561 HA ALA 72 HA ALA 72 -4.988 -2.561 5.538 562 HB1 ALA 72 1HB ALA 72 -3.919 -1.504 3.901 563 HB2 ALA 72 2HB ALA 72 -4.525 0.065 4.434 564 HB3 ALA 72 3HB ALA 72 -3.053 -0.600 5.143 565 H TYR 73 H TYR 73 -4.079 0.522 7.094 566 HA TYR 73 HA TYR 73 -2.079 -0.231 8.716 567 HB2 TYR 73 1HB TYR 73 -4.392 1.471 9.665 568 HB3 TYR 73 2HB TYR 73 -2.748 1.491 10.295 569 HD1 TYR 73 1HD TYR 73 -1.252 1.393 7.690 570 HD2 TYR 73 2HD TYR 73 -4.624 3.686 8.905 571 HE1 TYR 73 1HE TYR 73 -0.646 3.136 6.064 572 HE2 TYR 73 2HE TYR 73 -4.028 5.434 7.281 573 HH TYR 73 HH TYR 73 -1.473 6.062 6.110 574 H ASP 74 H ASP 74 -5.406 -1.184 9.049 575 HA ASP 74 HA ASP 74 -5.018 -2.313 11.690 576 HB2 ASP 74 1HB ASP 74 -7.181 -1.296 11.072 577 HB3 ASP 74 2HB ASP 74 -7.385 -2.514 9.815 578 H GLY 75 H GLY 75 -5.441 -3.459 8.368 579 HA2 GLY 75 1HA GLY 75 -5.385 -6.232 9.082 580 HA3 GLY 75 2HA GLY 75 -5.251 -5.571 7.459 581 H PHE 76 H PHE 76 -3.012 -4.082 7.519 582 HA PHE 76 HA PHE 76 -0.963 -5.960 7.270 583 HB2 PHE 76 1HB PHE 76 -0.928 -2.957 7.527 584 HB3 PHE 76 2HB PHE 76 0.548 -3.890 7.304 585 HD1 PHE 76 1HD PHE 76 -0.157 -5.902 5.378 586 HD2 PHE 76 2HD PHE 76 -1.371 -1.827 5.577 587 HE1 PHE 76 1HE PHE 76 -0.521 -5.895 2.945 588 HE2 PHE 76 2HE PHE 76 -1.738 -1.814 3.144 589 HZ PHE 76 HZ PHE 76 -1.314 -3.850 1.825 590 H ALA 77 H ALA 77 -1.991 -4.044 10.002 591 HA ALA 77 HA ALA 77 0.348 -4.610 11.583 592 HB1 ALA 77 1HB ALA 77 -0.631 -2.584 12.151 593 HB2 ALA 77 2HB ALA 77 -2.265 -3.247 12.111 594 HB3 ALA 77 3HB ALA 77 -1.178 -3.660 13.437 595 H SER 78 H SER 78 -2.214 -6.459 10.627 596 HA SER 78 HA SER 78 -2.847 -7.825 13.046 597 HB2 SER 78 1HB SER 78 -3.219 -8.670 10.162 598 HB3 SER 78 2HB SER 78 -3.928 -9.485 11.556 599 HG SER 78 HG SER 78 -5.498 -8.118 11.285 600 H ILE 79 H ILE 79 -0.505 -8.310 10.475 601 HA ILE 79 HA ILE 79 0.394 -10.826 11.636 602 HB ILE 79 HB ILE 79 2.109 -10.669 9.725 603 HG12 ILE 79 1HG1 ILE 79 1.418 -8.141 9.459 604 HG13 ILE 79 2HG1 ILE 79 1.844 -9.103 8.047 605 HG21 ILE 79 1HG2 ILE 79 0.540 -12.276 9.340 606 HG22 ILE 79 2HG2 ILE 79 -0.812 -11.160 9.535 607 HG23 ILE 79 3HG2 ILE 79 0.125 -11.158 8.041 608 HD11 ILE 79 1HD1 ILE 79 -0.216 -8.972 7.191 609 HD12 ILE 79 2HD1 ILE 79 -0.993 -9.178 8.760 610 HD13 ILE 79 3HD1 ILE 79 -0.388 -7.594 8.277 611 H GLY 80 H GLY 80 1.472 -7.497 11.242 612 HA2 GLY 80 1HA GLY 80 2.860 -6.954 13.375 613 HA3 GLY 80 2HA GLY 80 3.964 -8.123 12.665 614 H ILE 81 H ILE 81 2.023 -5.626 11.063 615 HA ILE 81 HA ILE 81 4.525 -4.521 9.977 616 HB ILE 81 HB ILE 81 1.726 -4.214 8.886 617 HG12 ILE 81 1HG1 ILE 81 3.997 -6.035 8.074 618 HG13 ILE 81 2HG1 ILE 81 2.403 -6.513 8.647 619 HG21 ILE 81 1HG2 ILE 81 2.635 -3.067 7.081 620 HG22 ILE 81 2HG2 ILE 81 3.535 -2.427 8.455 621 HG23 ILE 81 3HG2 ILE 81 4.268 -3.644 7.411 622 HD11 ILE 81 1HD1 ILE 81 1.665 -6.553 6.568 623 HD12 ILE 81 2HD1 ILE 81 2.075 -4.849 6.370 624 HD13 ILE 81 3HD1 ILE 81 3.268 -6.093 5.996 625 H SER 82 H SER 82 4.980 -3.145 11.721 626 HA SER 82 HA SER 82 3.415 -1.462 13.135 627 HB2 SER 82 1HB SER 82 6.176 -1.051 12.013 628 HB3 SER 82 2HB SER 82 5.406 0.196 12.994 629 HG SER 82 HG SER 82 6.614 -2.062 13.788 630 H ARG 83 H ARG 83 2.137 0.242 12.788 631 HA ARG 83 HA ARG 83 1.728 1.157 10.081 632 HB2 ARG 83 1HB ARG 83 0.406 2.173 12.598 633 HB3 ARG 83 2HB ARG 83 -0.173 2.342 10.946 634 HG2 ARG 83 1HG ARG 83 -0.955 0.205 10.851 635 HG3 ARG 83 2HG ARG 83 0.239 -0.401 12.000 636 HD2 ARG 83 1HD ARG 83 -2.143 -0.326 12.826 637 HD3 ARG 83 2HD ARG 83 -0.951 0.479 13.845 638 HE ARG 83 HE ARG 83 -2.233 2.235 11.968 639 HH11 ARG 83 1HH1 ARG 83 -2.449 0.761 15.114 640 HH12 ARG 83 2HH1 ARG 83 -3.483 1.991 15.763 641 HH21 ARG 83 1HH2 ARG 83 -3.594 3.860 12.811 642 HH22 ARG 83 2HH2 ARG 83 -4.134 3.752 14.452 643 H LEU 84 H LEU 84 2.911 2.716 9.212 644 HA LEU 84 HA LEU 84 4.190 4.694 10.951 645 HB2 LEU 84 1HB LEU 84 4.635 4.169 8.017 646 HB3 LEU 84 2HB LEU 84 5.603 5.211 9.057 647 HG LEU 84 HG LEU 84 5.385 2.210 9.293 648 HD11 LEU 84 1HD1 LEU 84 7.971 2.727 8.740 649 HD12 LEU 84 2HD1 LEU 84 7.187 4.000 7.806 650 HD13 LEU 84 3HD1 LEU 84 6.767 2.312 7.520 651 HD21 LEU 84 1HD2 LEU 84 6.397 2.360 11.266 652 HD22 LEU 84 2HD2 LEU 84 6.077 4.094 11.226 653 HD23 LEU 84 3HD2 LEU 84 7.613 3.467 10.627 654 H LEU 85 H LEU 85 2.306 4.546 7.934 655 HA LEU 85 HA LEU 85 1.811 7.399 8.020 656 HB2 LEU 85 1HB LEU 85 2.195 6.052 5.913 657 HB3 LEU 85 2HB LEU 85 0.582 5.383 6.155 658 HG LEU 85 HG LEU 85 -0.328 7.698 6.004 659 HD11 LEU 85 1HD1 LEU 85 2.047 8.740 4.666 660 HD12 LEU 85 2HD1 LEU 85 2.262 8.485 6.398 661 HD13 LEU 85 3HD1 LEU 85 0.955 9.516 5.814 662 HD21 LEU 85 1HD2 LEU 85 0.104 7.913 3.530 663 HD22 LEU 85 2HD2 LEU 85 -0.493 6.343 4.068 664 HD23 LEU 85 3HD2 LEU 85 1.217 6.554 3.689 665 H GLU 86 H GLU 86 -0.204 8.375 8.291 666 HA GLU 86 HA GLU 86 -2.151 6.725 9.748 667 HB2 GLU 86 1HB GLU 86 -1.865 9.735 9.731 668 HB3 GLU 86 2HB GLU 86 -2.944 8.795 10.752 669 HG2 GLU 86 1HG GLU 86 -0.785 7.663 11.597 670 HG3 GLU 86 2HG GLU 86 0.028 9.060 10.893 671 HA PRO 87 HA PRO 87 -5.129 7.126 6.541 672 HB2 PRO 87 1HB PRO 87 -7.414 6.949 7.996 673 HB3 PRO 87 2HB PRO 87 -6.364 5.562 7.684 674 HG2 PRO 87 1HG PRO 87 -6.543 7.291 10.121 675 HG3 PRO 87 2HG PRO 87 -6.400 5.527 10.009 676 HD2 PRO 87 1HD PRO 87 -4.285 7.128 10.552 677 HD3 PRO 87 2HD PRO 87 -4.125 5.608 9.649 678 H SER 88 H SER 88 -5.849 9.052 9.454 679 HA SER 88 HA SER 88 -7.536 10.910 8.190 680 HB2 SER 88 1HB SER 88 -7.188 12.305 10.179 681 HB3 SER 88 2HB SER 88 -7.445 10.621 10.636 682 HG SER 88 HG SER 88 -5.639 10.852 11.680 683 H ASP 89 H ASP 89 -4.051 10.919 8.777 684 HA ASP 89 HA ASP 89 -3.372 13.476 8.058 685 HB2 ASP 89 1HB ASP 89 -1.996 10.840 7.794 686 HB3 ASP 89 2HB ASP 89 -1.281 12.238 6.995 687 H MET 90 H MET 90 -3.755 10.700 5.860 688 HA MET 90 HA MET 90 -3.152 11.918 3.466 689 HB2 MET 90 1HB MET 90 -5.322 9.871 3.960 690 HB3 MET 90 2HB MET 90 -4.599 10.239 2.400 691 HG2 MET 90 1HG MET 90 -3.009 9.241 4.743 692 HG3 MET 90 2HG MET 90 -3.758 8.172 3.558 693 HE1 MET 90 1HE MET 90 -0.929 7.665 1.280 694 HE2 MET 90 2HE MET 90 -1.786 6.981 2.662 695 HE3 MET 90 3HE MET 90 -2.691 7.573 1.267 696 H VAL 91 H VAL 91 -5.981 12.298 5.447 697 HA VAL 91 HA VAL 91 -7.472 13.669 3.365 698 HB VAL 91 HB VAL 91 -8.200 13.413 6.283 699 HG11 VAL 91 1HG1 VAL 91 -10.288 14.164 5.731 700 HG12 VAL 91 2HG1 VAL 91 -9.324 15.063 4.558 701 HG13 VAL 91 3HG1 VAL 91 -10.174 13.598 4.065 702 HG21 VAL 91 1HG2 VAL 91 -8.602 11.521 3.990 703 HG22 VAL 91 2HG2 VAL 91 -7.982 11.186 5.607 704 HG23 VAL 91 3HG2 VAL 91 -9.695 11.535 5.374 705 H LEU 92 H LEU 92 -5.970 14.455 6.487 706 HA LEU 92 HA LEU 92 -6.634 17.096 6.750 707 HB2 LEU 92 1HB LEU 92 -3.903 15.939 7.285 708 HB3 LEU 92 2HB LEU 92 -4.589 17.391 8.011 709 HG LEU 92 HG LEU 92 -5.552 14.565 8.451 710 HD11 LEU 92 1HD1 LEU 92 -4.147 14.438 10.164 711 HD12 LEU 92 2HD1 LEU 92 -4.660 16.009 10.778 712 HD13 LEU 92 3HD1 LEU 92 -3.379 15.910 9.570 713 HD21 LEU 92 1HD2 LEU 92 -7.392 16.137 8.553 714 HD22 LEU 92 2HD2 LEU 92 -6.474 17.181 9.638 715 HD23 LEU 92 3HD2 LEU 92 -6.983 15.581 10.176 716 H LEU 93 H LEU 93 -3.511 16.087 5.353 717 HA LEU 93 HA LEU 93 -3.246 18.624 4.003 718 HB2 LEU 93 1HB LEU 93 -1.099 17.730 3.226 719 HB3 LEU 93 2HB LEU 93 -1.287 17.608 4.974 720 HG LEU 93 HG LEU 93 -2.077 15.159 4.361 721 HD11 LEU 93 1HD1 LEU 93 -1.500 16.030 1.850 722 HD12 LEU 93 2HD1 LEU 93 -1.504 14.341 2.357 723 HD13 LEU 93 3HD1 LEU 93 0.011 15.243 2.310 724 HD21 LEU 93 1HD2 LEU 93 0.352 16.384 5.204 725 HD22 LEU 93 2HD2 LEU 93 0.741 15.015 4.162 726 HD23 LEU 93 3HD2 LEU 93 -0.270 14.779 5.588 727 H ALA 94 H ALA 94 -2.340 18.423 1.633 728 HA ALA 94 HA ALA 94 -4.465 17.164 0.098 729 HB1 ALA 94 1HB ALA 94 -4.227 19.201 -0.838 730 HB2 ALA 94 2HB ALA 94 -2.539 19.349 -0.348 731 HB3 ALA 94 3HB ALA 94 -2.965 18.394 -1.769 732 H ILE 95 H ILE 95 -0.926 17.400 -0.324 733 HA ILE 95 HA ILE 95 -0.984 14.678 -1.452 734 HB ILE 95 HB ILE 95 1.135 16.769 -1.943 735 HG12 ILE 95 1HG1 ILE 95 -1.265 17.265 -2.796 736 HG13 ILE 95 2HG1 ILE 95 0.077 17.403 -3.927 737 HG21 ILE 95 1HG2 ILE 95 2.061 14.664 -2.358 738 HG22 ILE 95 2HG2 ILE 95 0.567 14.044 -3.059 739 HG23 ILE 95 3HG2 ILE 95 1.535 15.222 -3.946 740 HD11 ILE 95 1HD1 ILE 95 -1.168 14.755 -3.823 741 HD12 ILE 95 2HD1 ILE 95 -2.211 16.051 -4.409 742 HD13 ILE 95 3HD1 ILE 95 -0.671 15.729 -5.206 743 HA PRO 96 HA PRO 96 1.350 13.521 2.146 744 HB2 PRO 96 1HB PRO 96 1.856 10.970 1.367 745 HB3 PRO 96 2HB PRO 96 0.285 11.492 1.986 746 HG2 PRO 96 1HG PRO 96 1.171 11.102 -0.847 747 HG3 PRO 96 2HG PRO 96 -0.357 10.633 -0.078 748 HD2 PRO 96 1HD PRO 96 -0.121 12.847 -1.619 749 HD3 PRO 96 2HD PRO 96 -1.236 12.758 -0.241 750 H ASP 97 H ASP 97 3.504 12.540 2.601 751 HA ASP 97 HA ASP 97 5.476 13.670 0.811 752 HB2 ASP 97 1HB ASP 97 5.574 12.446 3.554 753 HB3 ASP 97 2HB ASP 97 7.056 12.737 2.647 754 H LYS 98 H LYS 98 5.617 12.415 -1.001 755 HA LYS 98 HA LYS 98 5.395 9.803 -1.469 756 HB2 LYS 98 1HB LYS 98 6.088 11.367 -3.198 757 HB3 LYS 98 2HB LYS 98 7.671 11.534 -2.450 758 HG2 LYS 98 1HG LYS 98 7.707 8.910 -2.814 759 HG3 LYS 98 2HG LYS 98 6.569 9.330 -4.096 760 HD2 LYS 98 1HD LYS 98 8.138 10.481 -5.299 761 HD3 LYS 98 2HD LYS 98 9.069 10.925 -3.866 762 HE2 LYS 98 1HE LYS 98 9.994 8.727 -3.704 763 HE3 LYS 98 2HE LYS 98 8.912 8.121 -4.958 764 HZ1 LYS 98 1HZ LYS 98 10.199 8.941 -6.585 765 HZ2 LYS 98 2HZ LYS 98 11.417 8.910 -5.411 766 HZ3 LYS 98 3HZ LYS 98 10.592 10.351 -5.736 767 H LEU 99 H LEU 99 8.210 11.279 0.084 768 HA LEU 99 HA LEU 99 9.843 9.029 0.247 769 HB2 LEU 99 1HB LEU 99 9.577 11.300 2.212 770 HB3 LEU 99 2HB LEU 99 10.917 10.157 2.149 771 HG LEU 99 HG LEU 99 10.211 12.054 -0.087 772 HD11 LEU 99 1HD1 LEU 99 11.061 12.935 2.271 773 HD12 LEU 99 2HD1 LEU 99 11.616 13.629 0.747 774 HD13 LEU 99 3HD1 LEU 99 12.617 12.451 1.596 775 HD21 LEU 99 1HD2 LEU 99 11.469 10.464 -1.123 776 HD22 LEU 99 2HD2 LEU 99 12.297 9.989 0.360 777 HD23 LEU 99 3HD2 LEU 99 12.767 11.469 -0.477 778 H THR 100 H THR 100 7.471 10.248 2.603 779 HA THR 100 HA THR 100 7.811 8.250 4.528 780 HB THR 100 HB THR 100 5.280 9.773 3.877 781 HG1 THR 100 1HG THR 100 6.042 11.282 5.308 782 HG21 THR 100 1HG2 THR 100 5.614 9.119 6.646 783 HG22 THR 100 2HG2 THR 100 5.717 7.647 5.679 784 HG23 THR 100 3HG2 THR 100 4.298 8.687 5.555 785 H VAL 101 H VAL 101 4.917 8.494 2.469 786 HA VAL 101 HA VAL 101 3.782 6.104 2.772 787 HB VAL 101 HB VAL 101 4.254 7.375 0.072 788 HG11 VAL 101 1HG1 VAL 101 2.898 5.863 -0.867 789 HG12 VAL 101 2HG1 VAL 101 3.231 4.880 0.560 790 HG13 VAL 101 3HG1 VAL 101 1.781 5.884 0.496 791 HG21 VAL 101 1HG2 VAL 101 1.663 7.665 1.434 792 HG22 VAL 101 2HG2 VAL 101 3.011 8.515 2.189 793 HG23 VAL 101 3HG2 VAL 101 2.597 8.839 0.506 794 H MET 102 H MET 102 6.366 6.614 0.363 795 HA MET 102 HA MET 102 6.664 4.001 -0.476 796 HB2 MET 102 1HB MET 102 8.614 6.276 -0.249 797 HB3 MET 102 2HB MET 102 9.124 4.706 -0.855 798 HG2 MET 102 1HG MET 102 6.815 6.219 -2.031 799 HG3 MET 102 2HG MET 102 8.477 6.441 -2.573 800 HE1 MET 102 1HE MET 102 9.508 5.469 -4.080 801 HE2 MET 102 2HE MET 102 9.807 3.737 -3.938 802 HE3 MET 102 3HE MET 102 8.822 4.355 -5.264 803 H THR 103 H THR 103 8.152 5.611 2.302 804 HA THR 103 HA THR 103 9.883 3.578 3.101 805 HB THR 103 HB THR 103 8.401 5.562 4.839 806 HG1 THR 103 1HG THR 103 9.997 6.202 3.060 807 HG21 THR 103 1HG2 THR 103 11.020 4.552 5.703 808 HG22 THR 103 2HG2 THR 103 9.727 3.353 5.727 809 HG23 THR 103 3HG2 THR 103 9.557 4.853 6.638 810 H TYR 104 H TYR 104 6.451 4.051 3.767 811 HA TYR 104 HA TYR 104 6.251 1.898 5.631 812 HB2 TYR 104 1HB TYR 104 4.650 3.752 5.646 813 HB3 TYR 104 2HB TYR 104 4.102 3.308 4.033 814 HD1 TYR 104 2HD TYR 104 4.729 1.347 7.157 815 HD2 TYR 104 1HD TYR 104 1.961 2.459 4.123 816 HE1 TYR 104 2HE TYR 104 3.050 -0.153 8.148 817 HE2 TYR 104 1HE TYR 104 0.274 0.963 5.106 818 HH TYR 104 HH TYR 104 1.028 -1.363 7.459 819 H LEU 105 H LEU 105 5.534 2.267 2.182 820 HA LEU 105 HA LEU 105 4.343 -0.168 1.663 821 HB2 LEU 105 1HB LEU 105 6.013 1.707 0.071 822 HB3 LEU 105 2HB LEU 105 5.679 0.113 -0.604 823 HG LEU 105 HG LEU 105 3.547 2.061 0.267 824 HD11 LEU 105 1HD1 LEU 105 3.477 2.972 -1.797 825 HD12 LEU 105 2HD1 LEU 105 4.000 1.488 -2.593 826 HD13 LEU 105 3HD1 LEU 105 5.184 2.530 -1.803 827 HD21 LEU 105 1HD2 LEU 105 2.808 0.107 -1.710 828 HD22 LEU 105 2HD2 LEU 105 2.093 0.430 -0.131 829 HD23 LEU 105 3HD2 LEU 105 3.456 -0.682 -0.272 830 H TYR 106 H TYR 106 7.821 0.584 1.411 831 HA TYR 106 HA TYR 106 8.862 -1.805 0.692 832 HB2 TYR 106 1HB TYR 106 9.952 -0.005 2.866 833 HB3 TYR 106 2HB TYR 106 10.872 -1.238 2.010 834 HD1 TYR 106 2HD TYR 106 9.951 -0.818 -0.766 835 HD2 TYR 106 1HD TYR 106 10.963 2.005 2.252 836 HE1 TYR 106 2HE TYR 106 10.537 0.821 -2.504 837 HE2 TYR 106 1HE TYR 106 11.550 3.652 0.523 838 HH TYR 106 HH TYR 106 12.083 3.848 -1.730 839 H GLN 107 H GLN 107 7.546 -0.979 3.837 840 HA GLN 107 HA GLN 107 8.471 -3.219 5.265 841 HB2 GLN 107 1HB GLN 107 5.880 -1.745 5.745 842 HB3 GLN 107 2HB GLN 107 6.816 -2.664 6.917 843 HG2 GLN 107 1HG GLN 107 8.688 -0.936 6.318 844 HG3 GLN 107 2HG GLN 107 7.320 0.042 5.789 845 HE21 GLN 107 1HE2 GLN 107 9.215 0.375 8.027 846 HE22 GLN 107 2HE2 GLN 107 8.234 0.517 9.442 847 H ILE 108 H ILE 108 5.231 -2.641 3.884 848 HA ILE 108 HA ILE 108 4.133 -5.125 4.347 849 HB ILE 108 HB ILE 108 3.680 -3.236 2.042 850 HG12 ILE 108 1HG1 ILE 108 1.421 -3.150 3.455 851 HG13 ILE 108 2HG1 ILE 108 2.504 -3.652 4.749 852 HG21 ILE 108 1HG2 ILE 108 2.213 -5.768 2.751 853 HG22 ILE 108 2HG2 ILE 108 1.558 -4.520 1.691 854 HG23 ILE 108 3HG2 ILE 108 3.028 -5.381 1.236 855 HD11 ILE 108 1HD1 ILE 108 3.351 -1.612 4.948 856 HD12 ILE 108 2HD1 ILE 108 3.584 -1.451 3.207 857 HD13 ILE 108 3HD1 ILE 108 2.019 -1.073 3.926 858 H ARG 109 H ARG 109 5.684 -4.087 1.303 859 HA ARG 109 HA ARG 109 5.631 -6.542 0.011 860 HB2 ARG 109 1HB ARG 109 6.195 -4.590 -1.237 861 HB3 ARG 109 2HB ARG 109 7.567 -4.240 -0.194 862 HG2 ARG 109 1HG ARG 109 8.432 -6.553 -1.033 863 HG3 ARG 109 2HG ARG 109 7.301 -6.270 -2.358 864 HD2 ARG 109 1HD ARG 109 8.473 -3.904 -2.383 865 HD3 ARG 109 2HD ARG 109 9.786 -4.806 -1.627 866 HE ARG 109 HE ARG 109 9.060 -4.861 -4.359 867 HH11 ARG 109 1HH1 ARG 109 10.159 -6.922 -1.778 868 HH12 ARG 109 2HH1 ARG 109 10.944 -8.047 -2.836 869 HH21 ARG 109 1HH2 ARG 109 10.090 -6.335 -5.762 870 HH22 ARG 109 2HH2 ARG 109 10.905 -7.712 -5.102 871 H ALA 110 H ALA 110 7.999 -5.240 2.279 872 HA ALA 110 HA ALA 110 9.959 -7.227 2.002 873 HB1 ALA 110 1HB ALA 110 9.250 -5.499 4.367 874 HB2 ALA 110 2HB ALA 110 10.690 -6.514 4.273 875 HB3 ALA 110 3HB ALA 110 10.475 -5.182 3.138 876 H HIS 111 H HIS 111 7.314 -6.954 4.377 877 HA HIS 111 HA HIS 111 7.764 -9.269 5.808 878 HB2 HIS 111 1HB HIS 111 5.982 -7.415 6.137 879 HB3 HIS 111 2HB HIS 111 4.972 -8.412 5.095 880 HD1 HIS 111 1HD HIS 111 7.087 -9.011 8.212 881 HD2 HIS 111 2HD HIS 111 3.431 -10.073 6.549 882 HE1 HIS 111 1HE HIS 111 5.978 -10.491 9.916 883 HE2 HIS 111 2HE HIS 111 3.805 -11.190 8.852 884 H PHE 112 H PHE 112 5.288 -9.018 3.252 885 HA PHE 112 HA PHE 112 4.861 -11.749 2.964 886 HB2 PHE 112 1HB PHE 112 4.453 -9.410 1.123 887 HB3 PHE 112 2HB PHE 112 4.111 -11.049 0.576 888 HD1 PHE 112 1HD PHE 112 2.396 -12.405 1.785 889 HD2 PHE 112 2HD PHE 112 2.958 -8.249 2.515 890 HE1 PHE 112 1HE PHE 112 0.172 -12.291 2.832 891 HE2 PHE 112 2HE PHE 112 0.735 -8.129 3.564 892 HZ PHE 112 HZ PHE 112 -0.661 -10.152 3.724 893 H SER 113 H SER 113 6.983 -9.623 1.057 894 HA SER 113 HA SER 113 8.265 -12.010 -0.079 895 HB2 SER 113 1HB SER 113 7.383 -10.302 -1.668 896 HB3 SER 113 2HB SER 113 8.509 -9.130 -0.983 897 HG SER 113 HG SER 113 10.169 -10.166 -1.886 898 H SER 114 H SER 114 9.713 -12.609 1.477 899 HA SER 114 HA SER 114 11.192 -11.188 3.222 900 HB2 SER 114 1HB SER 114 12.961 -12.925 3.022 901 HB3 SER 114 2HB SER 114 11.340 -13.613 3.100 902 HG SER 114 HG SER 114 13.184 -13.677 1.067 903 H GLY 115 H GLY 115 12.722 -9.666 3.188 904 HA2 GLY 115 1HA GLY 115 14.399 -9.366 0.803 905 HA3 GLY 115 2HA GLY 115 13.429 -7.990 1.307 906 HA PRO 116 HA PRO 116 17.442 -7.343 3.367 907 HB2 PRO 116 1HB PRO 116 17.223 -4.637 3.394 908 HB3 PRO 116 2HB PRO 116 17.807 -5.540 1.991 909 HG2 PRO 116 1HG PRO 116 15.083 -4.417 2.521 910 HG3 PRO 116 2HG PRO 116 16.032 -4.390 1.023 911 HD2 PRO 116 1HD PRO 116 14.023 -6.156 1.444 912 HD3 PRO 116 2HD PRO 116 15.454 -6.552 0.470 913 H SER 117 H SER 117 16.627 -8.267 5.314 914 HA SER 117 HA SER 117 16.104 -6.330 7.363 915 HB2 SER 117 1HB SER 117 13.826 -6.528 6.654 916 HB3 SER 117 2HB SER 117 13.942 -8.285 6.566 917 HG SER 117 HG SER 117 12.923 -7.254 8.510 918 H SER 118 H SER 118 17.171 -6.977 9.106 919 HA SER 118 HA SER 118 18.673 -9.235 9.346 920 HB2 SER 118 1HB SER 118 18.970 -7.409 10.889 921 HB3 SER 118 2HB SER 118 17.349 -7.635 11.545 922 HG SER 118 HG SER 118 18.006 -9.371 12.631 923 H GLY 119 H GLY 119 15.503 -8.802 10.937 924 HA2 GLY 119 1HA GLY 119 15.308 -11.537 11.702 925 HA3 GLY 119 2HA GLY 119 14.008 -10.354 11.744 Start of MODEL 6 1 H1 GLY 1 H GLY 1 11.841 -8.168 -25.460 2 HA2 GLY 1 1HA GLY 1 10.388 -6.406 -24.973 3 HA3 GLY 1 2HA GLY 1 10.327 -7.295 -23.458 4 H SER 2 H SER 2 9.897 -5.355 -22.329 5 HA SER 2 HA SER 2 12.303 -3.715 -21.907 6 HB2 SER 2 1HB SER 2 10.278 -2.668 -23.251 7 HB3 SER 2 2HB SER 2 9.605 -2.453 -21.635 8 HG SER 2 HG SER 2 12.013 -1.611 -21.381 9 H SER 3 H SER 3 9.071 -4.402 -20.564 10 HA SER 3 HA SER 3 9.739 -3.694 -17.914 11 HB2 SER 3 1HB SER 3 7.483 -5.121 -19.235 12 HB3 SER 3 2HB SER 3 7.669 -5.330 -17.494 13 HG SER 3 HG SER 3 7.572 -2.812 -18.798 14 H GLY 4 H GLY 4 11.158 -4.686 -16.649 15 HA2 GLY 4 1HA GLY 4 11.001 -7.316 -15.807 16 HA3 GLY 4 2HA GLY 4 12.124 -7.316 -17.159 17 H SER 5 H SER 5 11.756 -6.818 -13.842 18 HA SER 5 HA SER 5 14.564 -6.338 -13.510 19 HB2 SER 5 1HB SER 5 13.695 -4.036 -13.949 20 HB3 SER 5 2HB SER 5 12.662 -4.196 -12.529 21 HG SER 5 HG SER 5 15.477 -4.503 -12.446 22 H SER 6 H SER 6 15.285 -6.826 -11.447 23 HA SER 6 HA SER 6 13.285 -7.472 -9.410 24 HB2 SER 6 1HB SER 6 14.083 -9.498 -10.912 25 HB3 SER 6 2HB SER 6 15.490 -9.443 -9.851 26 HG SER 6 HG SER 6 12.886 -9.435 -8.779 27 H GLY 7 H GLY 7 14.110 -7.560 -7.267 28 HA2 GLY 7 1HA GLY 7 15.874 -7.372 -5.670 29 HA3 GLY 7 2HA GLY 7 16.885 -6.660 -6.918 30 HA PRO 8 HA PRO 8 14.414 -3.466 -4.279 31 HB2 PRO 8 1HB PRO 8 16.062 -3.122 -2.149 32 HB3 PRO 8 2HB PRO 8 14.722 -4.275 -2.151 33 HG2 PRO 8 1HG PRO 8 17.639 -4.760 -2.617 34 HG3 PRO 8 2HG PRO 8 16.487 -5.705 -1.656 35 HD2 PRO 8 1HD PRO 8 17.241 -6.430 -4.153 36 HD3 PRO 8 2HD PRO 8 15.622 -6.770 -3.508 37 H ASN 9 H ASN 9 17.345 -3.932 -5.771 38 HA ASN 9 HA ASN 9 18.994 -1.846 -5.277 39 HB2 ASN 9 1HB ASN 9 18.151 -2.833 -8.011 40 HB3 ASN 9 2HB ASN 9 19.577 -1.851 -7.690 41 HD21 ASN 9 1HD2 ASN 9 18.326 -4.964 -7.890 42 HD22 ASN 9 2HD2 ASN 9 19.681 -5.822 -7.248 43 H ALA 10 H ALA 10 16.703 -1.532 -7.977 44 HA ALA 10 HA ALA 10 16.589 1.344 -7.495 45 HB1 ALA 10 1HB ALA 10 17.023 0.394 -9.778 46 HB2 ALA 10 2HB ALA 10 15.354 -0.178 -9.780 47 HB3 ALA 10 3HB ALA 10 15.694 1.550 -9.687 48 H SER 11 H SER 11 14.328 2.321 -8.053 49 HA SER 11 HA SER 11 12.480 1.190 -6.125 50 HB2 SER 11 1HB SER 11 12.907 3.604 -6.090 51 HB3 SER 11 2HB SER 11 12.322 3.742 -7.748 52 HG SER 11 HG SER 11 10.337 2.675 -6.729 53 H GLN 12 H GLN 12 13.060 0.277 -9.076 54 HA GLN 12 HA GLN 12 10.498 0.479 -10.345 55 HB2 GLN 12 1HB GLN 12 12.557 0.279 -11.660 56 HB3 GLN 12 2HB GLN 12 12.857 -1.308 -10.964 57 HG2 GLN 12 1HG GLN 12 11.956 -1.794 -13.036 58 HG3 GLN 12 2HG GLN 12 10.575 -1.945 -11.951 59 HE21 GLN 12 1HE2 GLN 12 9.358 -1.673 -13.951 60 HE22 GLN 12 2HE2 GLN 12 9.028 -0.075 -14.517 61 H SER 13 H SER 13 12.248 -2.049 -8.587 62 HA SER 13 HA SER 13 10.526 -4.177 -8.959 63 HB2 SER 13 1HB SER 13 11.307 -4.773 -6.515 64 HB3 SER 13 2HB SER 13 12.468 -4.769 -7.842 65 HG SER 13 HG SER 13 12.230 -3.055 -5.681 66 H LEU 14 H LEU 14 10.422 -1.729 -6.377 67 HA LEU 14 HA LEU 14 8.149 -2.685 -5.065 68 HB2 LEU 14 1HB LEU 14 9.570 -1.046 -4.041 69 HB3 LEU 14 2HB LEU 14 9.235 0.112 -5.327 70 HG LEU 14 HG LEU 14 6.827 0.088 -4.528 71 HD11 LEU 14 1HD1 LEU 14 6.603 -1.804 -3.212 72 HD12 LEU 14 2HD1 LEU 14 6.739 -0.514 -2.017 73 HD13 LEU 14 3HD1 LEU 14 8.133 -1.532 -2.379 74 HD21 LEU 14 1HD2 LEU 14 7.279 1.946 -3.353 75 HD22 LEU 14 2HD2 LEU 14 8.948 1.638 -3.836 76 HD23 LEU 14 3HD2 LEU 14 8.375 1.107 -2.254 77 H LEU 15 H LEU 15 8.257 0.174 -7.198 78 HA LEU 15 HA LEU 15 5.640 0.711 -7.516 79 HB2 LEU 15 1HB LEU 15 7.603 1.826 -8.641 80 HB3 LEU 15 2HB LEU 15 7.503 0.571 -9.874 81 HG LEU 15 HG LEU 15 5.019 1.424 -10.069 82 HD11 LEU 15 1HD1 LEU 15 6.434 3.908 -9.120 83 HD12 LEU 15 2HD1 LEU 15 5.283 2.987 -8.151 84 HD13 LEU 15 3HD1 LEU 15 4.756 3.763 -9.644 85 HD21 LEU 15 1HD2 LEU 15 6.300 1.528 -11.987 86 HD22 LEU 15 2HD2 LEU 15 7.530 2.546 -11.238 87 HD23 LEU 15 3HD2 LEU 15 5.966 3.232 -11.679 88 H VAL 16 H VAL 16 7.396 -1.869 -9.186 89 HA VAL 16 HA VAL 16 5.103 -2.739 -10.675 90 HB VAL 16 HB VAL 16 7.659 -4.261 -10.156 91 HG11 VAL 16 1HG1 VAL 16 6.368 -5.852 -11.120 92 HG12 VAL 16 2HG1 VAL 16 5.293 -4.676 -11.880 93 HG13 VAL 16 3HG1 VAL 16 6.868 -5.025 -12.595 94 HG21 VAL 16 1HG2 VAL 16 8.746 -2.864 -11.497 95 HG22 VAL 16 2HG2 VAL 16 7.532 -3.079 -12.758 96 HG23 VAL 16 3HG2 VAL 16 7.321 -1.826 -11.535 97 H TRP 17 H TRP 17 6.667 -3.658 -7.667 98 HA TRP 17 HA TRP 17 5.622 -6.114 -7.125 99 HB2 TRP 17 1HB TRP 17 7.132 -4.761 -5.637 100 HB3 TRP 17 2HB TRP 17 5.710 -3.870 -5.102 101 HD1 TRP 17 HD TRP 17 7.081 -7.491 -5.075 102 HE1 TRP 17 1HE TRP 17 6.126 -8.687 -3.006 103 HE3 TRP 17 3HE TRP 17 3.983 -3.802 -3.364 104 HZ2 TRP 17 2HZ TRP 17 4.301 -8.139 -0.923 105 HZ3 TRP 17 3HZ TRP 17 2.667 -4.218 -1.327 106 HH2 TRP 17 HH TRP 17 2.823 -6.343 -0.134 107 H CYS 18 H CYS 18 3.999 -3.000 -6.551 108 HA CYS 18 HA CYS 18 1.589 -4.165 -5.600 109 HB2 CYS 18 1HB CYS 18 2.213 -1.865 -5.042 110 HB3 CYS 18 2HB CYS 18 2.105 -1.410 -6.738 111 HG CYS 18 HG CYS 18 -0.763 -2.582 -6.341 112 H LYS 19 H LYS 19 2.364 -2.561 -8.690 113 HA LYS 19 HA LYS 19 -0.025 -3.017 -10.002 114 HB2 LYS 19 1HB LYS 19 2.780 -2.947 -11.124 115 HB3 LYS 19 2HB LYS 19 1.324 -2.901 -12.109 116 HG2 LYS 19 1HG LYS 19 0.739 -0.777 -11.369 117 HG3 LYS 19 2HG LYS 19 1.775 -0.884 -9.944 118 HD2 LYS 19 1HD LYS 19 2.955 0.541 -11.356 119 HD3 LYS 19 2HD LYS 19 3.714 -1.027 -11.642 120 HE2 LYS 19 1HE LYS 19 1.423 -0.155 -13.349 121 HE3 LYS 19 2HE LYS 19 3.032 0.497 -13.652 122 HZ1 LYS 19 1HZ LYS 19 2.946 -1.363 -14.998 123 HZ2 LYS 19 2HZ LYS 19 2.098 -2.291 -13.866 124 HZ3 LYS 19 3HZ LYS 19 3.739 -1.957 -13.626 125 H GLU 20 H GLU 20 2.327 -5.288 -9.031 126 HA GLU 20 HA GLU 20 1.667 -7.286 -11.005 127 HB2 GLU 20 1HB GLU 20 3.900 -6.970 -9.701 128 HB3 GLU 20 2HB GLU 20 3.087 -7.868 -8.427 129 HG2 GLU 20 1HG GLU 20 4.514 -9.243 -9.936 130 HG3 GLU 20 2HG GLU 20 2.839 -9.777 -9.811 131 H VAL 21 H VAL 21 1.254 -7.055 -7.468 132 HA VAL 21 HA VAL 21 -0.484 -9.294 -7.311 133 HB VAL 21 HB VAL 21 -0.733 -8.815 -5.035 134 HG11 VAL 21 1HG1 VAL 21 1.805 -7.403 -5.054 135 HG12 VAL 21 2HG1 VAL 21 1.416 -9.022 -4.470 136 HG13 VAL 21 3HG1 VAL 21 1.782 -8.763 -6.176 137 HG21 VAL 21 1HG2 VAL 21 -0.249 -5.958 -5.813 138 HG22 VAL 21 2HG2 VAL 21 -1.640 -6.659 -4.986 139 HG23 VAL 21 3HG2 VAL 21 -0.101 -6.497 -4.141 140 H THR 22 H THR 22 -0.959 -6.003 -8.154 141 HA THR 22 HA THR 22 -3.866 -6.242 -7.783 142 HB THR 22 HB THR 22 -3.998 -3.837 -7.998 143 HG1 THR 22 1HG THR 22 -1.307 -4.120 -8.782 144 HG21 THR 22 1HG2 THR 22 -2.922 -3.187 -5.985 145 HG22 THR 22 2HG2 THR 22 -1.664 -4.409 -6.179 146 HG23 THR 22 3HG2 THR 22 -3.316 -4.896 -5.800 147 H LYS 23 H LYS 23 -2.241 -7.458 -9.966 148 HA LYS 23 HA LYS 23 -2.758 -5.991 -12.357 149 HB2 LYS 23 1HB LYS 23 -1.992 -7.958 -13.524 150 HB3 LYS 23 2HB LYS 23 -0.949 -7.682 -12.135 151 HG2 LYS 23 1HG LYS 23 -2.155 -9.412 -10.891 152 HG3 LYS 23 2HG LYS 23 -3.183 -9.696 -12.298 153 HD2 LYS 23 1HD LYS 23 -0.189 -9.912 -12.444 154 HD3 LYS 23 2HD LYS 23 -1.200 -11.272 -11.950 155 HE2 LYS 23 1HE LYS 23 -2.475 -10.968 -14.092 156 HE3 LYS 23 2HE LYS 23 -1.248 -9.800 -14.579 157 HZ1 LYS 23 1HZ LYS 23 -0.799 -12.670 -13.963 158 HZ2 LYS 23 2HZ LYS 23 0.424 -11.560 -14.326 159 HZ3 LYS 23 3HZ LYS 23 -0.738 -11.949 -15.492 160 H ASN 24 H ASN 24 -4.475 -8.436 -10.530 161 HA ASN 24 HA ASN 24 -6.576 -8.521 -12.579 162 HB2 ASN 24 1HB ASN 24 -5.714 -10.377 -10.406 163 HB3 ASN 24 2HB ASN 24 -7.409 -10.389 -10.884 164 HD21 ASN 24 1HD2 ASN 24 -5.053 -12.275 -11.214 165 HD22 ASN 24 2HD2 ASN 24 -5.093 -12.695 -12.890 166 H TYR 25 H TYR 25 -6.396 -6.164 -11.136 167 HA TYR 25 HA TYR 25 -8.749 -6.331 -9.368 168 HB2 TYR 25 1HB TYR 25 -6.253 -4.679 -9.177 169 HB3 TYR 25 2HB TYR 25 -7.750 -4.092 -8.461 170 HD1 TYR 25 2HD TYR 25 -5.646 -7.181 -8.530 171 HD2 TYR 25 1HD TYR 25 -8.184 -4.631 -6.259 172 HE1 TYR 25 2HE TYR 25 -5.217 -8.546 -6.530 173 HE2 TYR 25 1HE TYR 25 -7.761 -5.989 -4.252 174 HH TYR 25 HH TYR 25 -6.817 -8.866 -4.143 175 H ARG 26 H ARG 26 -9.763 -4.006 -9.175 176 HA ARG 26 HA ARG 26 -10.008 -2.903 -11.897 177 HB2 ARG 26 1HB ARG 26 -12.156 -3.437 -9.847 178 HB3 ARG 26 2HB ARG 26 -12.404 -2.379 -11.230 179 HG2 ARG 26 1HG ARG 26 -11.435 -5.177 -11.629 180 HG3 ARG 26 2HG ARG 26 -13.149 -4.848 -11.366 181 HD2 ARG 26 1HD ARG 26 -11.473 -3.532 -13.497 182 HD3 ARG 26 2HD ARG 26 -12.477 -4.956 -13.766 183 HE ARG 26 HE ARG 26 -14.035 -2.908 -12.626 184 HH11 ARG 26 1HH1 ARG 26 -12.430 -3.743 -15.600 185 HH12 ARG 26 2HH1 ARG 26 -13.526 -2.843 -16.596 186 HH21 ARG 26 1HH2 ARG 26 -15.485 -1.720 -13.926 187 HH22 ARG 26 2HH2 ARG 26 -15.262 -1.692 -15.642 188 H GLY 27 H GLY 27 -9.109 -0.948 -11.910 189 HA2 GLY 27 1HA GLY 27 -8.963 1.318 -11.419 190 HA3 GLY 27 2HA GLY 27 -10.037 1.062 -10.053 191 H VAL 28 H VAL 28 -6.920 -0.453 -10.824 192 HA VAL 28 HA VAL 28 -5.813 0.764 -8.381 193 HB VAL 28 HB VAL 28 -5.283 -2.073 -9.272 194 HG11 VAL 28 1HG1 VAL 28 -3.411 -1.477 -8.076 195 HG12 VAL 28 2HG1 VAL 28 -4.296 -0.354 -7.041 196 HG13 VAL 28 3HG1 VAL 28 -4.449 -2.094 -6.792 197 HG21 VAL 28 1HG2 VAL 28 -7.083 -1.018 -7.096 198 HG22 VAL 28 2HG2 VAL 28 -7.559 -1.948 -8.517 199 HG23 VAL 28 3HG2 VAL 28 -6.593 -2.705 -7.250 200 H LYS 29 H LYS 29 -4.562 2.272 -9.408 201 HA LYS 29 HA LYS 29 -2.468 1.224 -11.199 202 HB2 LYS 29 1HB LYS 29 -2.497 3.224 -12.455 203 HB3 LYS 29 2HB LYS 29 -4.187 2.787 -12.238 204 HG2 LYS 29 1HG LYS 29 -4.578 4.510 -10.746 205 HG3 LYS 29 2HG LYS 29 -2.868 4.683 -10.342 206 HD2 LYS 29 1HD LYS 29 -2.581 5.383 -12.806 207 HD3 LYS 29 2HD LYS 29 -4.332 5.608 -12.793 208 HE2 LYS 29 1HE LYS 29 -2.881 7.645 -12.280 209 HE3 LYS 29 2HE LYS 29 -4.216 7.302 -11.180 210 HZ1 LYS 29 1HZ LYS 29 -1.851 7.836 -10.268 211 HZ2 LYS 29 2HZ LYS 29 -1.564 6.198 -10.578 212 HZ3 LYS 29 3HZ LYS 29 -2.804 6.654 -9.522 213 H ILE 30 H ILE 30 -0.369 1.908 -10.876 214 HA ILE 30 HA ILE 30 0.101 3.466 -8.417 215 HB ILE 30 HB ILE 30 1.768 1.216 -9.549 216 HG12 ILE 30 1HG1 ILE 30 1.201 0.438 -7.057 217 HG13 ILE 30 2HG1 ILE 30 -0.212 1.450 -7.336 218 HG21 ILE 30 1HG2 ILE 30 2.485 3.411 -7.847 219 HG22 ILE 30 2HG2 ILE 30 2.630 1.891 -6.967 220 HG23 ILE 30 3HG2 ILE 30 3.497 2.116 -8.486 221 HD11 ILE 30 1HD1 ILE 30 -1.092 -0.429 -8.163 222 HD12 ILE 30 2HD1 ILE 30 -0.168 -0.019 -9.608 223 HD13 ILE 30 3HD1 ILE 30 0.484 -1.168 -8.440 224 H THR 31 H THR 31 -0.169 5.050 -10.459 225 HA THR 31 HA THR 31 2.178 5.402 -12.054 226 HB THR 31 HB THR 31 -0.098 7.325 -11.531 227 HG1 THR 31 1HG THR 31 0.306 5.214 -13.342 228 HG21 THR 31 1HG2 THR 31 0.654 8.397 -13.631 229 HG22 THR 31 2HG2 THR 31 2.058 7.330 -13.646 230 HG23 THR 31 3HG2 THR 31 1.856 8.505 -12.347 231 H ASN 32 H ASN 32 1.304 6.279 -8.875 232 HA ASN 32 HA ASN 32 3.775 7.802 -8.603 233 HB2 ASN 32 1HB ASN 32 1.239 8.911 -7.417 234 HB3 ASN 32 2HB ASN 32 2.795 9.710 -7.619 235 HD21 ASN 32 1HD2 ASN 32 -0.208 9.821 -8.668 236 HD22 ASN 32 2HD2 ASN 32 0.025 10.318 -10.307 237 H PHE 33 H PHE 33 4.000 8.431 -6.147 238 HA PHE 33 HA PHE 33 3.165 6.095 -4.556 239 HB2 PHE 33 1HB PHE 33 5.821 7.395 -4.876 240 HB3 PHE 33 2HB PHE 33 5.400 6.808 -3.271 241 HD1 PHE 33 2HD PHE 33 4.245 4.348 -3.400 242 HD2 PHE 33 1HD PHE 33 7.059 5.965 -6.154 243 HE1 PHE 33 2HE PHE 33 4.902 2.071 -4.061 244 HE2 PHE 33 1HE PHE 33 7.720 3.691 -6.820 245 HZ PHE 33 HZ PHE 33 6.642 1.740 -5.772 246 H THR 34 H THR 34 1.981 8.819 -4.875 247 HA THR 34 HA THR 34 1.924 9.501 -2.017 248 HB THR 34 HB THR 34 1.494 11.942 -3.036 249 HG1 THR 34 1HG THR 34 2.237 10.694 -5.156 250 HG21 THR 34 1HG2 THR 34 3.728 10.550 -1.845 251 HG22 THR 34 2HG2 THR 34 3.175 12.205 -1.592 252 HG23 THR 34 3HG2 THR 34 4.281 11.837 -2.916 253 H THR 35 H THR 35 0.354 10.693 -4.987 254 HA THR 35 HA THR 35 -2.195 10.868 -3.700 255 HB THR 35 HB THR 35 -3.040 11.389 -6.011 256 HG1 THR 35 1HG THR 35 -1.782 10.923 -7.637 257 HG21 THR 35 1HG2 THR 35 -1.632 13.510 -6.224 258 HG22 THR 35 2HG2 THR 35 -0.737 12.918 -4.824 259 HG23 THR 35 3HG2 THR 35 -2.463 13.253 -4.690 260 H SER 36 H SER 36 -0.590 8.532 -5.747 261 HA SER 36 HA SER 36 -2.822 7.041 -6.563 262 HB2 SER 36 1HB SER 36 0.102 6.511 -6.318 263 HB3 SER 36 2HB SER 36 -0.970 5.127 -6.525 264 HG SER 36 HG SER 36 -0.910 5.630 -8.558 265 H TRP 37 H TRP 37 -1.069 7.135 -3.560 266 HA TRP 37 HA TRP 37 -2.646 4.867 -2.549 267 HB2 TRP 37 1HB TRP 37 -0.236 6.129 -1.236 268 HB3 TRP 37 2HB TRP 37 -0.996 4.592 -0.832 269 HD1 TRP 37 HD TRP 37 1.145 6.204 -3.606 270 HE1 TRP 37 1HE TRP 37 2.406 4.329 -4.839 271 HE3 TRP 37 3HE TRP 37 -0.976 2.156 -1.315 272 HZ2 TRP 37 2HZ TRP 37 2.490 1.507 -4.840 273 HZ3 TRP 37 3HZ TRP 37 -0.251 -0.096 -1.990 274 HH2 TRP 37 HH TRP 37 1.446 -0.412 -3.716 275 H ARG 38 H ARG 38 -2.264 8.256 -2.378 276 HA ARG 38 HA ARG 38 -2.894 9.087 0.094 277 HB2 ARG 38 1HB ARG 38 -2.825 10.836 -1.390 278 HB3 ARG 38 2HB ARG 38 -3.792 9.994 -2.594 279 HG2 ARG 38 1HG ARG 38 -5.782 10.630 -1.643 280 HG3 ARG 38 2HG ARG 38 -5.072 10.840 -0.041 281 HD2 ARG 38 1HD ARG 38 -3.981 12.867 -0.730 282 HD3 ARG 38 2HD ARG 38 -4.482 12.618 -2.402 283 HE ARG 38 HE ARG 38 -6.028 13.778 -0.304 284 HH11 ARG 38 1HH1 ARG 38 -6.230 11.894 -3.225 285 HH12 ARG 38 2HH1 ARG 38 -7.850 12.389 -3.587 286 HH21 ARG 38 1HH2 ARG 38 -8.162 14.436 -0.769 287 HH22 ARG 38 2HH2 ARG 38 -8.948 13.836 -2.190 288 H ASN 39 H ASN 39 -5.293 7.844 -2.224 289 HA ASN 39 HA ASN 39 -7.502 8.032 -0.481 290 HB2 ASN 39 1HB ASN 39 -8.337 6.111 -2.127 291 HB3 ASN 39 2HB ASN 39 -8.222 7.791 -2.644 292 HD21 ASN 39 1HD2 ASN 39 -8.148 6.712 -4.768 293 HD22 ASN 39 2HD2 ASN 39 -6.607 6.223 -5.377 294 H GLY 40 H GLY 40 -5.573 5.186 -1.447 295 HA2 GLY 40 1HA GLY 40 -4.798 3.730 0.397 296 HA3 GLY 40 2HA GLY 40 -6.400 3.922 1.094 297 H LEU 41 H LEU 41 -5.997 3.527 -2.337 298 HA LEU 41 HA LEU 41 -7.617 1.151 -2.292 299 HB2 LEU 41 1HB LEU 41 -6.305 2.715 -4.500 300 HB3 LEU 41 2HB LEU 41 -7.214 1.234 -4.793 301 HG LEU 41 HG LEU 41 -8.292 3.821 -3.677 302 HD11 LEU 41 1HD1 LEU 41 -7.756 3.462 -6.206 303 HD12 LEU 41 2HD1 LEU 41 -9.288 4.185 -5.716 304 HD13 LEU 41 3HD1 LEU 41 -9.223 2.484 -6.175 305 HD21 LEU 41 1HD2 LEU 41 -9.625 1.155 -4.122 306 HD22 LEU 41 2HD2 LEU 41 -10.493 2.665 -3.843 307 HD23 LEU 41 3HD2 LEU 41 -9.430 2.014 -2.594 308 H SER 42 H SER 42 -4.520 1.753 -3.953 309 HA SER 42 HA SER 42 -3.753 -0.800 -4.458 310 HB2 SER 42 1HB SER 42 -2.022 1.521 -3.585 311 HB3 SER 42 2HB SER 42 -1.375 0.010 -4.223 312 HG SER 42 HG SER 42 -3.151 1.775 -5.564 313 H PHE 43 H PHE 43 -3.649 0.846 -1.369 314 HA PHE 43 HA PHE 43 -2.038 -1.019 0.008 315 HB2 PHE 43 1HB PHE 43 -3.997 1.089 0.848 316 HB3 PHE 43 2HB PHE 43 -3.356 -0.032 2.044 317 HD1 PHE 43 2HD PHE 43 -0.596 -0.366 1.286 318 HD2 PHE 43 1HD PHE 43 -3.012 3.136 1.200 319 HE1 PHE 43 2HE PHE 43 1.420 1.026 1.510 320 HE2 PHE 43 1HE PHE 43 -1.000 4.534 1.423 321 HZ PHE 43 HZ PHE 43 1.220 3.479 1.580 322 H CYS 44 H CYS 44 -5.579 -0.619 -0.054 323 HA CYS 44 HA CYS 44 -6.125 -2.941 1.459 324 HB2 CYS 44 1HB CYS 44 -7.814 -1.296 -0.424 325 HB3 CYS 44 2HB CYS 44 -8.451 -2.683 0.451 326 HG CYS 44 HG CYS 44 -7.544 0.358 1.641 327 H ALA 45 H ALA 45 -5.878 -2.343 -2.009 328 HA ALA 45 HA ALA 45 -6.849 -4.802 -2.928 329 HB1 ALA 45 1HB ALA 45 -5.415 -4.303 -4.959 330 HB2 ALA 45 2HB ALA 45 -6.597 -3.073 -4.510 331 HB3 ALA 45 3HB ALA 45 -4.894 -2.848 -4.109 332 H ILE 46 H ILE 46 -3.531 -3.795 -2.145 333 HA ILE 46 HA ILE 46 -2.216 -6.142 -2.860 334 HB ILE 46 HB ILE 46 -1.580 -4.092 -0.747 335 HG12 ILE 46 1HG1 ILE 46 -0.044 -4.663 -3.266 336 HG13 ILE 46 2HG1 ILE 46 -1.492 -3.663 -3.311 337 HG21 ILE 46 1HG2 ILE 46 0.739 -5.158 -0.825 338 HG22 ILE 46 2HG2 ILE 46 -0.509 -5.996 0.095 339 HG23 ILE 46 3HG2 ILE 46 -0.066 -6.568 -1.513 340 HD11 ILE 46 1HD1 ILE 46 0.379 -2.219 -3.153 341 HD12 ILE 46 2HD1 ILE 46 -0.425 -2.206 -1.583 342 HD13 ILE 46 3HD1 ILE 46 1.055 -3.138 -1.809 343 H LEU 47 H LEU 47 -3.437 -5.191 0.352 344 HA LEU 47 HA LEU 47 -2.793 -7.615 1.631 345 HB2 LEU 47 1HB LEU 47 -3.276 -5.508 2.807 346 HB3 LEU 47 2HB LEU 47 -4.965 -5.640 2.320 347 HG LEU 47 HG LEU 47 -5.104 -7.753 3.644 348 HD11 LEU 47 1HD1 LEU 47 -3.115 -8.684 4.099 349 HD12 LEU 47 2HD1 LEU 47 -3.110 -7.582 5.475 350 HD13 LEU 47 3HD1 LEU 47 -2.255 -7.148 3.995 351 HD21 LEU 47 1HD2 LEU 47 -5.665 -6.628 5.543 352 HD22 LEU 47 2HD2 LEU 47 -5.527 -5.262 4.436 353 HD23 LEU 47 3HD2 LEU 47 -4.199 -5.647 5.531 354 H HIS 48 H HIS 48 -5.511 -6.630 -0.310 355 HA HIS 48 HA HIS 48 -7.233 -8.779 0.465 356 HB2 HIS 48 1HB HIS 48 -8.005 -6.591 -0.511 357 HB3 HIS 48 2HB HIS 48 -7.374 -7.130 -2.064 358 HD1 HIS 48 1HD HIS 48 -8.614 -9.152 -3.199 359 HD2 HIS 48 2HD HIS 48 -10.460 -7.640 0.202 360 HE1 HIS 48 1HE HIS 48 -10.946 -10.092 -3.225 361 HE2 HIS 48 2HE HIS 48 -12.071 -9.095 -1.204 362 H HIS 49 H HIS 49 -4.840 -8.267 -2.044 363 HA HIS 49 HA HIS 49 -5.435 -10.325 -3.793 364 HB2 HIS 49 1HB HIS 49 -3.645 -8.595 -4.093 365 HB3 HIS 49 2HB HIS 49 -2.647 -9.502 -2.961 366 HD1 HIS 49 1HD HIS 49 -4.585 -10.392 -6.124 367 HD2 HIS 49 2HD HIS 49 -0.906 -11.048 -4.309 368 HE1 HIS 49 1HE HIS 49 -3.299 -11.848 -7.720 369 HE2 HIS 49 2HE HIS 49 -1.108 -12.302 -6.563 370 H PHE 50 H PHE 50 -3.080 -10.504 -1.115 371 HA PHE 50 HA PHE 50 -2.700 -13.280 -1.274 372 HB2 PHE 50 1HB PHE 50 -2.408 -11.596 1.217 373 HB3 PHE 50 2HB PHE 50 -1.577 -13.103 0.843 374 HD1 PHE 50 1HD PHE 50 0.050 -13.122 -1.097 375 HD2 PHE 50 2HD PHE 50 -1.500 -9.539 0.600 376 HE1 PHE 50 1HE PHE 50 1.908 -11.852 -2.091 377 HE2 PHE 50 2HE PHE 50 0.355 -8.263 -0.393 378 HZ PHE 50 HZ PHE 50 2.061 -9.419 -1.741 379 H ARG 51 H ARG 51 -4.733 -11.370 0.939 380 HA ARG 51 HA ARG 51 -6.427 -13.745 1.293 381 HB2 ARG 51 1HB ARG 51 -4.801 -13.158 3.253 382 HB3 ARG 51 2HB ARG 51 -5.950 -11.868 3.580 383 HG2 ARG 51 1HG ARG 51 -6.605 -13.634 4.963 384 HG3 ARG 51 2HG ARG 51 -7.736 -13.675 3.609 385 HD2 ARG 51 1HD ARG 51 -7.191 -15.888 3.716 386 HD3 ARG 51 2HD ARG 51 -5.932 -15.329 2.615 387 HE ARG 51 HE ARG 51 -4.804 -15.075 5.073 388 HH11 ARG 51 1HH1 ARG 51 -6.347 -17.689 3.369 389 HH12 ARG 51 2HH1 ARG 51 -5.409 -18.922 4.146 390 HH21 ARG 51 1HH2 ARG 51 -3.563 -16.688 6.103 391 HH22 ARG 51 2HH2 ARG 51 -3.827 -18.351 5.701 392 HA PRO 52 HA PRO 52 -9.131 -10.342 -0.064 393 HB2 PRO 52 1HB PRO 52 -10.998 -11.988 -1.148 394 HB3 PRO 52 2HB PRO 52 -9.526 -11.511 -2.002 395 HG2 PRO 52 1HG PRO 52 -10.117 -14.039 -0.512 396 HG3 PRO 52 2HG PRO 52 -9.305 -13.825 -2.074 397 HD2 PRO 52 1HD PRO 52 -7.945 -14.255 0.228 398 HD3 PRO 52 2HD PRO 52 -7.295 -13.264 -1.095 399 H ASP 53 H ASP 53 -9.282 -12.610 2.345 400 HA ASP 53 HA ASP 53 -12.023 -11.874 3.122 401 HB2 ASP 53 1HB ASP 53 -10.275 -14.207 3.902 402 HB3 ASP 53 2HB ASP 53 -11.763 -13.808 4.754 403 H LEU 54 H LEU 54 -9.404 -10.366 3.459 404 HA LEU 54 HA LEU 54 -9.404 -10.144 6.392 405 HB2 LEU 54 1HB LEU 54 -7.350 -9.731 4.295 406 HB3 LEU 54 2HB LEU 54 -7.285 -8.679 5.707 407 HG LEU 54 HG LEU 54 -7.211 -11.694 5.808 408 HD11 LEU 54 1HD1 LEU 54 -5.222 -10.148 4.834 409 HD12 LEU 54 2HD1 LEU 54 -4.966 -11.662 5.701 410 HD13 LEU 54 3HD1 LEU 54 -4.839 -10.125 6.556 411 HD21 LEU 54 1HD2 LEU 54 -7.645 -9.679 7.792 412 HD22 LEU 54 2HD2 LEU 54 -6.110 -10.489 8.102 413 HD23 LEU 54 3HD2 LEU 54 -7.596 -11.432 7.977 414 H ILE 55 H ILE 55 -9.778 -8.354 3.398 415 HA ILE 55 HA ILE 55 -10.700 -6.039 4.974 416 HB ILE 55 HB ILE 55 -9.751 -5.614 2.189 417 HG12 ILE 55 1HG1 ILE 55 -7.443 -5.139 3.454 418 HG13 ILE 55 2HG1 ILE 55 -8.029 -6.454 4.467 419 HG21 ILE 55 1HG2 ILE 55 -10.383 -3.601 2.982 420 HG22 ILE 55 2HG2 ILE 55 -10.157 -4.074 4.665 421 HG23 ILE 55 3HG2 ILE 55 -8.767 -3.601 3.688 422 HD11 ILE 55 1HD1 ILE 55 -7.379 -7.938 2.968 423 HD12 ILE 55 2HD1 ILE 55 -8.349 -7.157 1.719 424 HD13 ILE 55 3HD1 ILE 55 -6.693 -6.626 2.010 425 H ASP 56 H ASP 56 -12.001 -4.527 3.319 426 HA ASP 56 HA ASP 56 -14.045 -6.267 2.106 427 HB2 ASP 56 1HB ASP 56 -14.542 -4.675 4.144 428 HB3 ASP 56 2HB ASP 56 -14.619 -3.437 2.892 429 H TYR 57 H TYR 57 -11.634 -5.318 0.786 430 HA TYR 57 HA TYR 57 -12.034 -3.099 -0.845 431 HB2 TYR 57 1HB TYR 57 -9.885 -4.319 -0.613 432 HB3 TYR 57 2HB TYR 57 -10.555 -5.639 -1.564 433 HD1 TYR 57 2HD TYR 57 -11.437 -4.993 -3.937 434 HD2 TYR 57 1HD TYR 57 -8.713 -2.626 -1.683 435 HE1 TYR 57 2HE TYR 57 -10.698 -3.885 -6.005 436 HE2 TYR 57 1HE TYR 57 -7.967 -1.511 -3.744 437 HH TYR 57 HH TYR 57 -8.934 -1.057 -6.044 438 H LYS 58 H LYS 58 -13.518 -6.192 -0.924 439 HA LYS 58 HA LYS 58 -14.220 -6.338 -3.651 440 HB2 LYS 58 1HB LYS 58 -15.917 -7.957 -2.932 441 HB3 LYS 58 2HB LYS 58 -14.368 -8.270 -2.161 442 HG2 LYS 58 1HG LYS 58 -15.125 -7.334 -0.099 443 HG3 LYS 58 2HG LYS 58 -16.616 -6.760 -0.849 444 HD2 LYS 58 1HD LYS 58 -15.878 -9.674 -0.780 445 HD3 LYS 58 2HD LYS 58 -16.755 -8.896 0.540 446 HE2 LYS 58 1HE LYS 58 -17.675 -8.777 -2.322 447 HE3 LYS 58 2HE LYS 58 -18.156 -10.067 -1.222 448 HZ1 LYS 58 1HZ LYS 58 -18.517 -7.372 -0.216 449 HZ2 LYS 58 2HZ LYS 58 -19.538 -8.716 -0.106 450 HZ3 LYS 58 3HZ LYS 58 -19.508 -7.791 -1.522 451 H SER 59 H SER 59 -15.377 -4.382 -1.087 452 HA SER 59 HA SER 59 -17.495 -3.354 -2.846 453 HB2 SER 59 1HB SER 59 -18.498 -4.806 -1.085 454 HB3 SER 59 2HB SER 59 -17.802 -3.746 0.141 455 HG SER 59 HG SER 59 -19.528 -2.590 -0.107 456 H LEU 60 H LEU 60 -14.736 -2.487 -2.151 457 HA LEU 60 HA LEU 60 -15.157 -0.061 -0.605 458 HB2 LEU 60 1HB LEU 60 -12.785 -1.474 -1.735 459 HB3 LEU 60 2HB LEU 60 -12.654 0.233 -1.318 460 HG LEU 60 HG LEU 60 -13.130 -2.109 0.502 461 HD11 LEU 60 1HD1 LEU 60 -11.225 0.065 1.101 462 HD12 LEU 60 2HD1 LEU 60 -10.828 -0.974 -0.268 463 HD13 LEU 60 3HD1 LEU 60 -11.074 -1.677 1.331 464 HD21 LEU 60 1HD2 LEU 60 -13.783 0.779 0.926 465 HD22 LEU 60 2HD2 LEU 60 -13.248 -0.221 2.277 466 HD23 LEU 60 3HD2 LEU 60 -14.703 -0.656 1.379 467 H ASN 61 H ASN 61 -13.637 1.818 -1.708 468 HA ASN 61 HA ASN 61 -13.853 2.153 -4.499 469 HB2 ASN 61 1HB ASN 61 -16.116 3.155 -2.825 470 HB3 ASN 61 2HB ASN 61 -15.583 4.134 -4.188 471 HD21 ASN 61 1HD2 ASN 61 -14.935 2.283 -6.049 472 HD22 ASN 61 2HD2 ASN 61 -16.333 1.374 -6.502 473 HA PRO 62 HA PRO 62 -11.083 5.452 -3.667 474 HB2 PRO 62 1HB PRO 62 -11.608 7.181 -5.693 475 HB3 PRO 62 2HB PRO 62 -10.776 5.641 -5.936 476 HG2 PRO 62 1HG PRO 62 -13.651 6.335 -6.399 477 HG3 PRO 62 2HG PRO 62 -12.554 5.379 -7.413 478 HD2 PRO 62 1HD PRO 62 -14.384 4.241 -5.773 479 HD3 PRO 62 2HD PRO 62 -12.819 3.482 -6.132 480 H GLN 63 H GLN 63 -14.304 5.763 -3.115 481 HA GLN 63 HA GLN 63 -14.418 8.618 -2.702 482 HB2 GLN 63 1HB GLN 63 -16.667 8.102 -1.726 483 HB3 GLN 63 2HB GLN 63 -16.450 7.555 -3.383 484 HG2 GLN 63 1HG GLN 63 -17.624 5.924 -1.958 485 HG3 GLN 63 2HG GLN 63 -16.136 5.294 -2.661 486 HE21 GLN 63 1HE2 GLN 63 -15.329 3.905 -1.254 487 HE22 GLN 63 2HE2 GLN 63 -15.100 4.193 0.434 488 H ASP 64 H ASP 64 -13.037 6.123 -1.039 489 HA ASP 64 HA ASP 64 -13.347 7.520 1.538 490 HB2 ASP 64 1HB ASP 64 -13.298 4.615 0.868 491 HB3 ASP 64 2HB ASP 64 -12.570 5.124 2.389 492 H ILE 65 H ILE 65 -11.571 8.623 2.007 493 HA ILE 65 HA ILE 65 -8.982 7.675 1.019 494 HB ILE 65 HB ILE 65 -9.644 10.327 2.302 495 HG12 ILE 65 1HG1 ILE 65 -9.419 9.544 -0.610 496 HG13 ILE 65 2HG1 ILE 65 -10.862 10.118 0.218 497 HG21 ILE 65 1HG2 ILE 65 -7.496 10.984 1.921 498 HG22 ILE 65 2HG2 ILE 65 -7.222 9.262 2.179 499 HG23 ILE 65 3HG2 ILE 65 -7.294 9.907 0.539 500 HD11 ILE 65 1HD1 ILE 65 -9.719 11.799 -1.230 501 HD12 ILE 65 2HD1 ILE 65 -9.956 12.300 0.445 502 HD13 ILE 65 3HD1 ILE 65 -8.367 11.761 -0.099 503 H LYS 66 H LYS 66 -10.584 8.701 4.009 504 HA LYS 66 HA LYS 66 -8.308 8.108 5.653 505 HB2 LYS 66 1HB LYS 66 -10.068 9.825 6.195 506 HB3 LYS 66 2HB LYS 66 -11.173 8.499 6.527 507 HG2 LYS 66 1HG LYS 66 -10.106 7.908 8.462 508 HG3 LYS 66 2HG LYS 66 -8.552 8.554 7.931 509 HD2 LYS 66 1HD LYS 66 -9.222 10.074 9.557 510 HD3 LYS 66 2HD LYS 66 -9.729 10.853 8.056 511 HE2 LYS 66 1HE LYS 66 -11.990 9.760 8.430 512 HE3 LYS 66 2HE LYS 66 -11.423 9.371 10.053 513 HZ1 LYS 66 1HZ LYS 66 -12.454 11.363 10.407 514 HZ2 LYS 66 2HZ LYS 66 -12.057 11.987 8.886 515 HZ3 LYS 66 3HZ LYS 66 -10.881 11.905 10.099 516 H GLU 67 H GLU 67 -11.509 6.604 5.214 517 HA GLU 67 HA GLU 67 -11.142 4.431 6.912 518 HB2 GLU 67 1HB GLU 67 -13.303 5.093 5.879 519 HB3 GLU 67 2HB GLU 67 -12.728 4.468 4.340 520 HG2 GLU 67 1HG GLU 67 -13.931 2.682 5.057 521 HG3 GLU 67 2HG GLU 67 -12.360 2.277 5.748 522 H ASN 68 H ASN 68 -10.959 4.282 3.352 523 HA ASN 68 HA ASN 68 -9.994 1.843 2.893 524 HB2 ASN 68 1HB ASN 68 -9.213 4.466 1.667 525 HB3 ASN 68 2HB ASN 68 -8.416 2.987 1.141 526 HD21 ASN 68 1HD2 ASN 68 -9.630 4.127 -0.801 527 HD22 ASN 68 2HD2 ASN 68 -11.160 3.416 -1.173 528 H ASN 69 H ASN 69 -7.928 4.556 3.911 529 HA ASN 69 HA ASN 69 -5.527 3.095 4.027 530 HB2 ASN 69 1HB ASN 69 -6.481 5.683 5.182 531 HB3 ASN 69 2HB ASN 69 -4.967 5.000 5.768 532 HD21 ASN 69 1HD2 ASN 69 -6.651 5.692 2.726 533 HD22 ASN 69 2HD2 ASN 69 -5.247 6.230 1.873 534 H LYS 70 H LYS 70 -7.794 4.007 6.619 535 HA LYS 70 HA LYS 70 -6.518 2.800 8.753 536 HB2 LYS 70 1HB LYS 70 -8.390 4.199 9.188 537 HB3 LYS 70 2HB LYS 70 -9.448 3.220 8.180 538 HG2 LYS 70 1HG LYS 70 -10.058 2.667 10.354 539 HG3 LYS 70 2HG LYS 70 -9.002 1.342 9.859 540 HD2 LYS 70 1HD LYS 70 -8.282 1.896 12.021 541 HD3 LYS 70 2HD LYS 70 -7.114 2.677 10.952 542 HE2 LYS 70 1HE LYS 70 -7.562 4.406 12.379 543 HE3 LYS 70 2HE LYS 70 -8.796 4.697 11.153 544 HZ1 LYS 70 1HZ LYS 70 -9.120 3.507 13.838 545 HZ2 LYS 70 2HZ LYS 70 -10.280 3.274 12.630 546 HZ3 LYS 70 3HZ LYS 70 -9.923 4.837 13.169 547 H LYS 71 H LYS 71 -8.825 1.375 6.468 548 HA LYS 71 HA LYS 71 -9.200 -1.106 7.578 549 HB2 LYS 71 1HB LYS 71 -8.882 -0.372 4.665 550 HB3 LYS 71 2HB LYS 71 -9.466 -1.934 5.223 551 HG2 LYS 71 1HG LYS 71 -11.180 -0.409 6.544 552 HG3 LYS 71 2HG LYS 71 -10.805 0.711 5.231 553 HD2 LYS 71 1HD LYS 71 -11.766 -0.619 3.641 554 HD3 LYS 71 2HD LYS 71 -11.415 -2.110 4.519 555 HE2 LYS 71 1HE LYS 71 -13.352 -0.185 5.702 556 HE3 LYS 71 2HE LYS 71 -13.872 -1.159 4.328 557 HZ1 LYS 71 1HZ LYS 71 -14.184 -2.854 5.691 558 HZ2 LYS 71 2HZ LYS 71 -13.691 -1.919 7.011 559 HZ3 LYS 71 3HZ LYS 71 -12.556 -2.830 6.148 560 H ALA 72 H ALA 72 -6.683 -0.315 5.174 561 HA ALA 72 HA ALA 72 -5.331 -2.737 5.243 562 HB1 ALA 72 1HB ALA 72 -4.618 -1.423 3.516 563 HB2 ALA 72 2HB ALA 72 -4.578 0.041 4.499 564 HB3 ALA 72 3HB ALA 72 -3.298 -1.161 4.657 565 H TYR 73 H TYR 73 -4.309 0.247 6.919 566 HA TYR 73 HA TYR 73 -2.236 -0.601 8.394 567 HB2 TYR 73 1HB TYR 73 -4.510 1.064 9.493 568 HB3 TYR 73 2HB TYR 73 -2.877 0.997 10.144 569 HD1 TYR 73 1HD TYR 73 -1.978 0.802 6.979 570 HD2 TYR 73 2HD TYR 73 -4.044 3.570 9.464 571 HE1 TYR 73 1HE TYR 73 -1.307 2.637 5.484 572 HE2 TYR 73 2HE TYR 73 -3.380 5.412 7.976 573 HH TYR 73 HH TYR 73 -1.775 5.957 6.325 574 H ASP 74 H ASP 74 -5.621 -1.315 9.077 575 HA ASP 74 HA ASP 74 -5.186 -2.593 11.567 576 HB2 ASP 74 1HB ASP 74 -7.392 -1.721 10.731 577 HB3 ASP 74 2HB ASP 74 -7.457 -3.101 9.637 578 H GLY 75 H GLY 75 -5.397 -3.789 8.240 579 HA2 GLY 75 1HA GLY 75 -5.154 -6.544 8.981 580 HA3 GLY 75 2HA GLY 75 -5.013 -5.886 7.358 581 H PHE 76 H PHE 76 -2.908 -4.367 7.262 582 HA PHE 76 HA PHE 76 -0.722 -6.055 7.203 583 HB2 PHE 76 1HB PHE 76 -0.844 -3.043 7.399 584 HB3 PHE 76 2HB PHE 76 0.650 -3.931 7.116 585 HD1 PHE 76 1HD PHE 76 0.121 -5.899 5.194 586 HD2 PHE 76 2HD PHE 76 -1.600 -2.018 5.502 587 HE1 PHE 76 1HE PHE 76 -0.347 -5.918 2.779 588 HE2 PHE 76 2HE PHE 76 -2.072 -2.032 3.087 589 HZ PHE 76 HZ PHE 76 -1.446 -3.984 1.723 590 H ALA 77 H ALA 77 -1.629 -3.724 9.720 591 HA ALA 77 HA ALA 77 0.604 -4.316 11.393 592 HB1 ALA 77 1HB ALA 77 -0.368 -2.859 12.972 593 HB2 ALA 77 2HB ALA 77 -0.762 -2.183 11.391 594 HB3 ALA 77 3HB ALA 77 -1.983 -3.078 12.296 595 H SER 78 H SER 78 -1.906 -6.216 10.557 596 HA SER 78 HA SER 78 -2.495 -7.329 13.167 597 HB2 SER 78 1HB SER 78 -4.091 -7.132 11.100 598 HB3 SER 78 2HB SER 78 -3.309 -8.627 10.588 599 HG SER 78 HG SER 78 -3.855 -9.192 12.968 600 H ILE 79 H ILE 79 -0.523 -8.067 10.375 601 HA ILE 79 HA ILE 79 0.190 -10.694 11.381 602 HB ILE 79 HB ILE 79 1.831 -10.581 9.389 603 HG12 ILE 79 1HG1 ILE 79 -0.059 -8.458 8.411 604 HG13 ILE 79 2HG1 ILE 79 1.425 -8.022 9.252 605 HG21 ILE 79 1HG2 ILE 79 -0.569 -11.649 9.643 606 HG22 ILE 79 2HG2 ILE 79 -0.982 -10.426 8.443 607 HG23 ILE 79 3HG2 ILE 79 0.266 -11.622 8.090 608 HD11 ILE 79 1HD1 ILE 79 1.840 -9.945 7.106 609 HD12 ILE 79 2HD1 ILE 79 1.167 -8.407 6.562 610 HD13 ILE 79 3HD1 ILE 79 2.682 -8.438 7.465 611 H GLY 80 H GLY 80 1.510 -7.459 11.267 612 HA2 GLY 80 1HA GLY 80 3.092 -7.284 13.324 613 HA3 GLY 80 2HA GLY 80 4.053 -8.416 12.384 614 H ILE 81 H ILE 81 2.175 -5.786 11.009 615 HA ILE 81 HA ILE 81 4.693 -4.585 10.078 616 HB ILE 81 HB ILE 81 1.905 -4.394 8.936 617 HG12 ILE 81 1HG1 ILE 81 4.454 -5.684 7.946 618 HG13 ILE 81 2HG1 ILE 81 2.972 -6.504 8.424 619 HG21 ILE 81 1HG2 ILE 81 2.495 -2.505 7.937 620 HG22 ILE 81 2HG2 ILE 81 4.068 -2.559 8.731 621 HG23 ILE 81 3HG2 ILE 81 3.842 -3.339 7.165 622 HD11 ILE 81 1HD1 ILE 81 2.146 -6.320 6.382 623 HD12 ILE 81 2HD1 ILE 81 2.444 -4.581 6.355 624 HD13 ILE 81 3HD1 ILE 81 3.715 -5.701 5.867 625 H SER 82 H SER 82 5.081 -3.342 11.941 626 HA SER 82 HA SER 82 3.366 -1.724 13.333 627 HB2 SER 82 1HB SER 82 6.252 -1.178 12.601 628 HB3 SER 82 2HB SER 82 5.353 -0.292 13.832 629 HG SER 82 HG SER 82 6.688 -2.153 14.535 630 H ARG 83 H ARG 83 1.886 -0.420 12.458 631 HA ARG 83 HA ARG 83 1.962 0.823 9.990 632 HB2 ARG 83 1HB ARG 83 0.080 2.069 10.673 633 HB3 ARG 83 2HB ARG 83 -0.013 0.566 11.581 634 HG2 ARG 83 1HG ARG 83 1.384 2.835 12.868 635 HG3 ARG 83 2HG ARG 83 -0.369 2.945 12.703 636 HD2 ARG 83 1HD ARG 83 -0.747 1.136 14.077 637 HD3 ARG 83 2HD ARG 83 0.839 0.434 13.762 638 HE ARG 83 HE ARG 83 1.652 1.603 15.543 639 HH11 ARG 83 1HH1 ARG 83 -1.326 3.078 14.507 640 HH12 ARG 83 2HH1 ARG 83 -1.382 4.200 15.826 641 HH21 ARG 83 1HH2 ARG 83 1.591 3.075 17.284 642 HH22 ARG 83 2HH2 ARG 83 0.279 4.198 17.404 643 H LEU 84 H LEU 84 2.337 2.989 9.338 644 HA LEU 84 HA LEU 84 4.047 4.566 11.136 645 HB2 LEU 84 1HB LEU 84 4.551 4.207 8.189 646 HB3 LEU 84 2HB LEU 84 5.554 5.085 9.342 647 HG LEU 84 HG LEU 84 5.101 2.104 9.416 648 HD11 LEU 84 1HD1 LEU 84 7.722 3.220 8.646 649 HD12 LEU 84 2HD1 LEU 84 6.440 3.329 7.441 650 HD13 LEU 84 3HD1 LEU 84 6.900 1.758 8.098 651 HD21 LEU 84 1HD2 LEU 84 6.063 2.216 11.410 652 HD22 LEU 84 2HD2 LEU 84 6.216 3.967 11.268 653 HD23 LEU 84 3HD2 LEU 84 7.499 2.918 10.664 654 H LEU 85 H LEU 85 2.215 4.615 8.086 655 HA LEU 85 HA LEU 85 1.865 7.479 8.227 656 HB2 LEU 85 1HB LEU 85 2.090 6.012 6.120 657 HB3 LEU 85 2HB LEU 85 0.386 5.642 6.376 658 HG LEU 85 HG LEU 85 -0.200 7.972 6.091 659 HD11 LEU 85 1HD1 LEU 85 2.743 8.336 6.215 660 HD12 LEU 85 2HD1 LEU 85 1.448 9.324 6.891 661 HD13 LEU 85 3HD1 LEU 85 1.816 9.412 5.169 662 HD21 LEU 85 1HD2 LEU 85 1.486 6.674 3.987 663 HD22 LEU 85 2HD2 LEU 85 0.785 8.270 3.713 664 HD23 LEU 85 3HD2 LEU 85 -0.264 6.890 4.044 665 H GLU 86 H GLU 86 -0.236 8.510 8.247 666 HA GLU 86 HA GLU 86 -2.139 7.049 9.948 667 HB2 GLU 86 1HB GLU 86 -1.804 10.031 9.577 668 HB3 GLU 86 2HB GLU 86 -2.942 9.254 10.668 669 HG2 GLU 86 1HG GLU 86 -0.769 8.141 11.628 670 HG3 GLU 86 2HG GLU 86 0.008 9.540 10.891 671 HA PRO 87 HA PRO 87 -5.106 7.033 6.696 672 HB2 PRO 87 1HB PRO 87 -7.363 6.780 8.183 673 HB3 PRO 87 2HB PRO 87 -6.225 5.451 7.932 674 HG2 PRO 87 1HG PRO 87 -6.502 7.290 10.278 675 HG3 PRO 87 2HG PRO 87 -6.242 5.536 10.256 676 HD2 PRO 87 1HD PRO 87 -4.235 7.301 10.692 677 HD3 PRO 87 2HD PRO 87 -3.980 5.749 9.867 678 H SER 88 H SER 88 -5.858 9.089 9.505 679 HA SER 88 HA SER 88 -7.672 10.767 8.112 680 HB2 SER 88 1HB SER 88 -7.649 12.151 10.070 681 HB3 SER 88 2HB SER 88 -7.544 10.478 10.618 682 HG SER 88 HG SER 88 -5.169 10.900 10.585 683 H ASP 89 H ASP 89 -4.217 10.947 8.785 684 HA ASP 89 HA ASP 89 -3.634 13.533 8.073 685 HB2 ASP 89 1HB ASP 89 -2.115 10.965 7.726 686 HB3 ASP 89 2HB ASP 89 -1.443 12.485 7.141 687 H MET 90 H MET 90 -3.832 10.732 5.881 688 HA MET 90 HA MET 90 -3.226 11.942 3.494 689 HB2 MET 90 1HB MET 90 -5.378 9.863 3.930 690 HB3 MET 90 2HB MET 90 -4.573 10.214 2.406 691 HG2 MET 90 1HG MET 90 -3.078 9.300 4.841 692 HG3 MET 90 2HG MET 90 -3.787 8.177 3.683 693 HE1 MET 90 1HE MET 90 -0.816 7.536 1.653 694 HE2 MET 90 2HE MET 90 -1.915 6.954 2.903 695 HE3 MET 90 3HE MET 90 -2.555 7.518 1.359 696 H VAL 91 H VAL 91 -5.946 12.502 5.494 697 HA VAL 91 HA VAL 91 -7.436 13.800 3.328 698 HB VAL 91 HB VAL 91 -8.319 13.372 6.183 699 HG11 VAL 91 1HG1 VAL 91 -10.383 13.540 4.170 700 HG12 VAL 91 2HG1 VAL 91 -10.174 14.479 5.649 701 HG13 VAL 91 3HG1 VAL 91 -9.363 14.978 4.164 702 HG21 VAL 91 1HG2 VAL 91 -9.801 11.612 4.864 703 HG22 VAL 91 2HG2 VAL 91 -8.390 11.591 3.807 704 HG23 VAL 91 3HG2 VAL 91 -8.218 11.193 5.516 705 H LEU 92 H LEU 92 -6.005 14.465 6.496 706 HA LEU 92 HA LEU 92 -6.777 17.082 6.871 707 HB2 LEU 92 1HB LEU 92 -4.038 15.983 7.474 708 HB3 LEU 92 2HB LEU 92 -4.827 17.351 8.256 709 HG LEU 92 HG LEU 92 -5.748 14.484 8.444 710 HD11 LEU 92 1HD1 LEU 92 -4.642 15.971 10.759 711 HD12 LEU 92 2HD1 LEU 92 -3.507 15.339 9.568 712 HD13 LEU 92 3HD1 LEU 92 -4.612 14.245 10.398 713 HD21 LEU 92 1HD2 LEU 92 -6.875 15.763 10.520 714 HD22 LEU 92 2HD2 LEU 92 -7.667 15.559 8.958 715 HD23 LEU 92 3HD2 LEU 92 -6.845 17.073 9.339 716 H LEU 93 H LEU 93 -4.329 15.800 4.721 717 HA LEU 93 HA LEU 93 -3.863 18.529 3.712 718 HB2 LEU 93 1HB LEU 93 -1.644 17.586 2.914 719 HB3 LEU 93 2HB LEU 93 -1.822 17.881 4.642 720 HG LEU 93 HG LEU 93 -2.481 15.318 4.648 721 HD11 LEU 93 1HD1 LEU 93 -0.575 15.455 2.323 722 HD12 LEU 93 2HD1 LEU 93 -2.311 15.199 2.154 723 HD13 LEU 93 3HD1 LEU 93 -1.327 14.021 3.022 724 HD21 LEU 93 1HD2 LEU 93 0.419 15.635 4.343 725 HD22 LEU 93 2HD2 LEU 93 -0.523 15.041 5.711 726 HD23 LEU 93 3HD2 LEU 93 -0.336 16.777 5.455 727 H ALA 94 H ALA 94 -2.810 18.294 1.378 728 HA ALA 94 HA ALA 94 -4.804 16.868 -0.194 729 HB1 ALA 94 1HB ALA 94 -4.666 18.873 -1.206 730 HB2 ALA 94 2HB ALA 94 -3.028 19.173 -0.625 731 HB3 ALA 94 3HB ALA 94 -3.290 18.145 -2.033 732 H ILE 95 H ILE 95 -1.285 17.344 -0.563 733 HA ILE 95 HA ILE 95 -1.123 14.610 -1.636 734 HB ILE 95 HB ILE 95 0.946 16.780 -1.952 735 HG12 ILE 95 1HG1 ILE 95 -1.446 17.180 -2.949 736 HG13 ILE 95 2HG1 ILE 95 -0.021 17.487 -3.937 737 HG21 ILE 95 1HG2 ILE 95 1.757 14.504 -2.258 738 HG22 ILE 95 2HG2 ILE 95 0.480 14.195 -3.433 739 HG23 ILE 95 3HG2 ILE 95 1.741 15.374 -3.791 740 HD11 ILE 95 1HD1 ILE 95 -0.321 15.491 -5.153 741 HD12 ILE 95 2HD1 ILE 95 -1.518 14.887 -4.007 742 HD13 ILE 95 3HD1 ILE 95 -1.908 16.254 -5.051 743 HA PRO 96 HA PRO 96 1.019 13.485 2.080 744 HB2 PRO 96 1HB PRO 96 1.806 11.020 1.259 745 HB3 PRO 96 2HB PRO 96 0.148 11.384 1.751 746 HG2 PRO 96 1HG PRO 96 1.307 11.192 -1.002 747 HG3 PRO 96 2HG PRO 96 -0.236 10.567 -0.391 748 HD2 PRO 96 1HD PRO 96 -0.057 12.857 -1.825 749 HD3 PRO 96 2HD PRO 96 -1.276 12.617 -0.556 750 H ASP 97 H ASP 97 3.226 12.074 2.352 751 HA ASP 97 HA ASP 97 5.247 13.610 0.871 752 HB2 ASP 97 1HB ASP 97 5.110 12.503 3.635 753 HB3 ASP 97 2HB ASP 97 6.692 12.601 2.866 754 H LYS 98 H LYS 98 5.657 12.404 -0.919 755 HA LYS 98 HA LYS 98 5.615 9.760 -1.386 756 HB2 LYS 98 1HB LYS 98 6.242 11.110 -3.196 757 HB3 LYS 98 2HB LYS 98 7.574 11.841 -2.310 758 HG2 LYS 98 1HG LYS 98 7.674 8.922 -2.855 759 HG3 LYS 98 2HG LYS 98 7.988 10.043 -4.181 760 HD2 LYS 98 1HD LYS 98 9.561 11.167 -2.369 761 HD3 LYS 98 2HD LYS 98 9.554 9.531 -1.704 762 HE2 LYS 98 1HE LYS 98 10.470 8.620 -3.679 763 HE3 LYS 98 2HE LYS 98 10.148 10.090 -4.598 764 HZ1 LYS 98 1HZ LYS 98 12.455 10.024 -4.097 765 HZ2 LYS 98 2HZ LYS 98 12.168 9.724 -2.457 766 HZ3 LYS 98 3HZ LYS 98 11.772 11.227 -3.123 767 H LEU 99 H LEU 99 8.175 11.464 0.348 768 HA LEU 99 HA LEU 99 9.965 9.313 0.595 769 HB2 LEU 99 1HB LEU 99 9.540 11.588 2.526 770 HB3 LEU 99 2HB LEU 99 10.976 10.574 2.400 771 HG LEU 99 HG LEU 99 10.062 12.291 0.112 772 HD11 LEU 99 1HD1 LEU 99 10.358 13.645 2.213 773 HD12 LEU 99 2HD1 LEU 99 11.408 14.087 0.866 774 HD13 LEU 99 3HD1 LEU 99 12.047 13.137 2.207 775 HD21 LEU 99 1HD2 LEU 99 12.843 12.099 0.265 776 HD22 LEU 99 2HD2 LEU 99 11.775 11.272 -0.869 777 HD23 LEU 99 3HD2 LEU 99 12.242 10.483 0.638 778 H THR 100 H THR 100 7.561 10.548 2.921 779 HA THR 100 HA THR 100 7.923 8.599 4.881 780 HB THR 100 HB THR 100 5.555 10.307 4.157 781 HG1 THR 100 1HG THR 100 6.283 11.513 5.794 782 HG21 THR 100 1HG2 THR 100 4.495 8.388 5.053 783 HG22 THR 100 2HG2 THR 100 4.606 9.539 6.384 784 HG23 THR 100 3HG2 THR 100 5.736 8.189 6.289 785 H VAL 101 H VAL 101 5.136 8.737 2.657 786 HA VAL 101 HA VAL 101 4.010 6.324 3.065 787 HB VAL 101 HB VAL 101 4.457 7.667 0.400 788 HG11 VAL 101 1HG1 VAL 101 2.591 5.395 1.078 789 HG12 VAL 101 2HG1 VAL 101 2.635 6.270 -0.454 790 HG13 VAL 101 3HG1 VAL 101 4.018 5.296 0.046 791 HG21 VAL 101 1HG2 VAL 101 1.981 7.562 2.113 792 HG22 VAL 101 2HG2 VAL 101 3.154 8.877 2.169 793 HG23 VAL 101 3HG2 VAL 101 2.261 8.556 0.682 794 H MET 102 H MET 102 6.512 6.812 0.563 795 HA MET 102 HA MET 102 6.922 4.262 -0.260 796 HB2 MET 102 1HB MET 102 8.746 6.591 0.085 797 HB3 MET 102 2HB MET 102 9.472 5.031 -0.279 798 HG2 MET 102 1HG MET 102 7.694 4.974 -2.187 799 HG3 MET 102 2HG MET 102 7.671 6.719 -1.944 800 HE1 MET 102 1HE MET 102 9.208 3.718 -3.347 801 HE2 MET 102 2HE MET 102 8.895 4.787 -4.714 802 HE3 MET 102 3HE MET 102 10.548 4.306 -4.331 803 H THR 103 H THR 103 8.552 5.758 2.534 804 HA THR 103 HA THR 103 10.098 3.670 3.392 805 HB THR 103 HB THR 103 8.517 5.471 5.235 806 HG1 THR 103 1HG THR 103 10.623 6.672 5.093 807 HG21 THR 103 1HG2 THR 103 9.851 4.790 6.930 808 HG22 THR 103 2HG2 THR 103 11.265 4.624 5.890 809 HG23 THR 103 3HG2 THR 103 10.046 3.351 5.931 810 H TYR 104 H TYR 104 6.662 4.204 4.098 811 HA TYR 104 HA TYR 104 6.362 1.942 5.775 812 HB2 TYR 104 1HB TYR 104 4.800 3.897 5.698 813 HB3 TYR 104 2HB TYR 104 4.220 3.317 4.141 814 HD1 TYR 104 2HD TYR 104 5.050 1.353 7.192 815 HD2 TYR 104 1HD TYR 104 2.000 2.719 4.557 816 HE1 TYR 104 2HE TYR 104 3.420 -0.087 8.341 817 HE2 TYR 104 1HE TYR 104 0.362 1.284 5.700 818 HH TYR 104 HH TYR 104 0.297 0.251 8.270 819 H LEU 105 H LEU 105 5.639 2.483 2.337 820 HA LEU 105 HA LEU 105 4.521 0.048 1.696 821 HB2 LEU 105 1HB LEU 105 6.191 1.996 0.171 822 HB3 LEU 105 2HB LEU 105 5.755 0.458 -0.572 823 HG LEU 105 HG LEU 105 3.734 2.420 0.501 824 HD11 LEU 105 1HD1 LEU 105 5.170 2.317 -2.082 825 HD12 LEU 105 2HD1 LEU 105 4.482 3.691 -1.217 826 HD13 LEU 105 3HD1 LEU 105 3.433 2.615 -2.140 827 HD21 LEU 105 1HD2 LEU 105 3.136 -0.023 0.242 828 HD22 LEU 105 2HD2 LEU 105 3.369 0.197 -1.492 829 HD23 LEU 105 3HD2 LEU 105 2.128 1.121 -0.644 830 H TYR 106 H TYR 106 7.951 0.857 1.130 831 HA TYR 106 HA TYR 106 9.020 -1.468 0.398 832 HB2 TYR 106 1HB TYR 106 10.102 0.418 2.493 833 HB3 TYR 106 2HB TYR 106 11.043 -0.907 1.818 834 HD1 TYR 106 2HD TYR 106 10.800 -0.927 -0.931 835 HD2 TYR 106 1HD TYR 106 10.606 2.479 1.612 836 HE1 TYR 106 2HE TYR 106 11.478 0.507 -2.810 837 HE2 TYR 106 1HE TYR 106 11.282 3.923 -0.261 838 HH TYR 106 HH TYR 106 12.138 2.562 -3.413 839 H GLN 107 H GLN 107 8.002 -0.728 3.697 840 HA GLN 107 HA GLN 107 8.973 -3.034 4.950 841 HB2 GLN 107 1HB GLN 107 6.447 -1.547 5.675 842 HB3 GLN 107 2HB GLN 107 7.436 -2.538 6.739 843 HG2 GLN 107 1HG GLN 107 8.683 -0.194 5.401 844 HG3 GLN 107 2HG GLN 107 7.601 0.077 6.766 845 HE21 GLN 107 1HE2 GLN 107 9.940 0.950 7.294 846 HE22 GLN 107 2HE2 GLN 107 10.885 -0.125 8.260 847 H ILE 108 H ILE 108 5.669 -2.383 3.771 848 HA ILE 108 HA ILE 108 4.580 -4.882 4.250 849 HB ILE 108 HB ILE 108 3.959 -2.934 2.031 850 HG12 ILE 108 1HG1 ILE 108 1.887 -2.663 3.591 851 HG13 ILE 108 2HG1 ILE 108 2.920 -3.400 4.810 852 HG21 ILE 108 1HG2 ILE 108 1.683 -4.398 2.421 853 HG22 ILE 108 2HG2 ILE 108 2.827 -4.624 1.100 854 HG23 ILE 108 3HG2 ILE 108 2.945 -5.623 2.548 855 HD11 ILE 108 1HD1 ILE 108 4.128 -1.541 5.079 856 HD12 ILE 108 2HD1 ILE 108 4.155 -1.185 3.352 857 HD13 ILE 108 3HD1 ILE 108 2.749 -0.745 4.321 858 H ARG 109 H ARG 109 6.127 -3.716 1.261 859 HA ARG 109 HA ARG 109 5.879 -6.088 -0.202 860 HB2 ARG 109 1HB ARG 109 6.452 -4.076 -1.352 861 HB3 ARG 109 2HB ARG 109 7.884 -3.841 -0.360 862 HG2 ARG 109 1HG ARG 109 8.560 -6.170 -1.396 863 HG3 ARG 109 2HG ARG 109 7.447 -5.658 -2.665 864 HD2 ARG 109 1HD ARG 109 9.412 -4.775 -3.448 865 HD3 ARG 109 2HD ARG 109 8.799 -3.416 -2.507 866 HE ARG 109 HE ARG 109 10.410 -5.027 -0.862 867 HH11 ARG 109 1HH1 ARG 109 10.661 -2.841 -3.560 868 HH12 ARG 109 2HH1 ARG 109 12.272 -2.337 -3.169 869 HH21 ARG 109 1HH2 ARG 109 12.531 -4.371 -0.337 870 HH22 ARG 109 2HH2 ARG 109 13.335 -3.208 -1.336 871 H ALA 110 H ALA 110 8.375 -4.993 2.038 872 HA ALA 110 HA ALA 110 10.210 -7.089 1.552 873 HB1 ALA 110 1HB ALA 110 11.378 -6.328 3.459 874 HB2 ALA 110 2HB ALA 110 10.673 -4.892 2.715 875 HB3 ALA 110 3HB ALA 110 9.927 -5.598 4.149 876 H HIS 111 H HIS 111 7.683 -6.659 4.013 877 HA HIS 111 HA HIS 111 8.080 -8.880 5.567 878 HB2 HIS 111 1HB HIS 111 6.344 -7.160 5.976 879 HB3 HIS 111 2HB HIS 111 5.391 -7.833 4.657 880 HD1 HIS 111 1HD HIS 111 6.233 -8.329 8.223 881 HD2 HIS 111 2HD HIS 111 4.239 -10.382 5.211 882 HE1 HIS 111 1HE HIS 111 4.935 -10.140 9.389 883 HE2 HIS 111 2HE HIS 111 3.804 -11.422 7.539 884 H PHE 112 H PHE 112 6.150 -8.723 2.580 885 HA PHE 112 HA PHE 112 5.733 -11.574 2.566 886 HB2 PHE 112 1HB PHE 112 5.088 -9.421 0.545 887 HB3 PHE 112 2HB PHE 112 4.666 -11.117 0.337 888 HD1 PHE 112 1HD PHE 112 3.402 -12.142 2.465 889 HD2 PHE 112 2HD PHE 112 3.461 -8.033 1.355 890 HE1 PHE 112 1HE PHE 112 1.316 -11.777 3.717 891 HE2 PHE 112 2HE PHE 112 1.376 -7.661 2.606 892 HZ PHE 112 HZ PHE 112 0.301 -9.534 3.790 893 H SER 113 H SER 113 7.278 -9.348 0.243 894 HA SER 113 HA SER 113 8.527 -11.320 -1.290 895 HB2 SER 113 1HB SER 113 9.484 -8.486 -0.823 896 HB3 SER 113 2HB SER 113 9.924 -9.525 -2.178 897 HG SER 113 HG SER 113 7.438 -8.325 -1.598 898 H SER 114 H SER 114 10.019 -9.222 1.182 899 HA SER 114 HA SER 114 11.801 -9.527 2.563 900 HB2 SER 114 1HB SER 114 10.831 -12.327 2.152 901 HB3 SER 114 2HB SER 114 12.372 -12.074 2.972 902 HG SER 114 HG SER 114 11.095 -10.530 4.315 903 H GLY 115 H GLY 115 12.376 -8.956 -0.086 904 HA2 GLY 115 1HA GLY 115 14.314 -8.771 -1.338 905 HA3 GLY 115 2HA GLY 115 15.085 -9.909 -0.244 906 HA PRO 116 HA PRO 116 14.354 -11.945 -4.382 907 HB2 PRO 116 1HB PRO 116 16.927 -12.733 -4.745 908 HB3 PRO 116 2HB PRO 116 16.323 -11.156 -5.266 909 HG2 PRO 116 1HG PRO 116 17.868 -11.874 -2.805 910 HG3 PRO 116 2HG PRO 116 18.073 -10.485 -3.889 911 HD2 PRO 116 1HD PRO 116 16.781 -10.303 -1.516 912 HD3 PRO 116 2HD PRO 116 16.337 -9.316 -2.924 913 H SER 117 H SER 117 15.767 -12.805 -1.342 914 HA SER 117 HA SER 117 15.591 -15.665 -1.952 915 HB2 SER 117 1HB SER 117 17.664 -14.892 -0.887 916 HB3 SER 117 2HB SER 117 16.736 -14.248 0.468 917 HG SER 117 HG SER 117 17.680 -16.690 0.180 918 H SER 118 H SER 118 14.604 -17.092 -0.323 919 HA SER 118 HA SER 118 12.486 -15.827 1.259 920 HB2 SER 118 1HB SER 118 11.522 -16.492 -0.940 921 HB3 SER 118 2HB SER 118 11.996 -18.158 -0.611 922 HG SER 118 HG SER 118 10.477 -16.826 1.315 923 H GLY 119 H GLY 119 11.651 -17.147 2.963 924 HA2 GLY 119 1HA GLY 119 11.909 -19.586 3.815 925 HA3 GLY 119 2HA GLY 119 13.611 -19.149 3.851 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.453 -15.937 -21.922 2 HA2 GLY 1 1HA GLY 1 5.164 -17.934 -22.785 3 HA3 GLY 1 2HA GLY 1 5.489 -16.214 -22.948 4 H SER 2 H SER 2 7.409 -15.676 -22.181 5 HA SER 2 HA SER 2 8.829 -17.358 -20.347 6 HB2 SER 2 1HB SER 2 10.639 -15.739 -20.569 7 HB3 SER 2 2HB SER 2 9.966 -16.102 -22.158 8 HG SER 2 HG SER 2 8.869 -13.953 -20.767 9 H SER 3 H SER 3 9.797 -16.560 -18.333 10 HA SER 3 HA SER 3 8.073 -14.611 -16.952 11 HB2 SER 3 1HB SER 3 8.099 -15.964 -14.958 12 HB3 SER 3 2HB SER 3 7.586 -16.988 -16.299 13 HG SER 3 HG SER 3 10.178 -16.861 -15.149 14 H GLY 4 H GLY 4 9.095 -13.694 -14.971 15 HA2 GLY 4 1HA GLY 4 11.979 -13.814 -14.795 16 HA3 GLY 4 2HA GLY 4 11.361 -12.296 -15.429 17 H SER 5 H SER 5 12.823 -12.204 -13.169 18 HA SER 5 HA SER 5 10.837 -11.342 -11.215 19 HB2 SER 5 1HB SER 5 11.772 -12.536 -9.383 20 HB3 SER 5 2HB SER 5 11.580 -13.721 -10.675 21 HG SER 5 HG SER 5 13.624 -14.081 -10.386 22 H SER 6 H SER 6 11.778 -9.967 -9.520 23 HA SER 6 HA SER 6 14.422 -8.883 -10.050 24 HB2 SER 6 1HB SER 6 12.949 -7.585 -11.547 25 HB3 SER 6 2HB SER 6 11.951 -7.134 -10.165 26 HG SER 6 HG SER 6 14.386 -6.151 -10.977 27 H GLY 7 H GLY 7 15.128 -7.366 -8.374 28 HA2 GLY 7 1HA GLY 7 13.667 -7.792 -5.840 29 HA3 GLY 7 2HA GLY 7 15.421 -7.843 -5.948 30 HA PRO 8 HA PRO 8 14.306 -3.599 -4.557 31 HB2 PRO 8 1HB PRO 8 16.369 -3.399 -2.803 32 HB3 PRO 8 2HB PRO 8 14.824 -4.149 -2.387 33 HG2 PRO 8 1HG PRO 8 17.401 -5.441 -3.192 34 HG3 PRO 8 2HG PRO 8 16.270 -5.906 -1.908 35 HD2 PRO 8 1HD PRO 8 16.336 -7.151 -4.312 36 HD3 PRO 8 2HD PRO 8 14.839 -6.959 -3.377 37 H ASN 9 H ASN 9 16.620 -4.991 -6.438 38 HA ASN 9 HA ASN 9 18.845 -3.544 -6.649 39 HB2 ASN 9 1HB ASN 9 18.734 -3.752 -9.099 40 HB3 ASN 9 2HB ASN 9 18.210 -5.234 -8.304 41 HD21 ASN 9 1HD2 ASN 9 17.426 -2.828 -10.526 42 HD22 ASN 9 2HD2 ASN 9 15.783 -3.280 -10.813 43 H ALA 10 H ALA 10 15.698 -2.405 -7.852 44 HA ALA 10 HA ALA 10 16.622 0.348 -7.491 45 HB1 ALA 10 1HB ALA 10 15.607 0.974 -9.692 46 HB2 ALA 10 2HB ALA 10 17.069 -0.006 -9.805 47 HB3 ALA 10 3HB ALA 10 15.490 -0.748 -10.058 48 H SER 11 H SER 11 14.895 1.903 -7.357 49 HA SER 11 HA SER 11 12.804 1.202 -5.724 50 HB2 SER 11 1HB SER 11 11.776 3.361 -6.323 51 HB3 SER 11 2HB SER 11 13.515 3.526 -6.073 52 HG SER 11 HG SER 11 12.205 3.284 -8.582 53 H GLN 12 H GLN 12 12.801 1.430 -9.257 54 HA GLN 12 HA GLN 12 10.243 1.202 -9.992 55 HB2 GLN 12 1HB GLN 12 11.918 1.080 -11.674 56 HB3 GLN 12 2HB GLN 12 12.591 -0.397 -10.999 57 HG2 GLN 12 1HG GLN 12 10.435 -1.533 -11.576 58 HG3 GLN 12 2HG GLN 12 9.976 -0.067 -12.441 59 HE21 GLN 12 1HE2 GLN 12 10.990 -3.031 -12.976 60 HE22 GLN 12 2HE2 GLN 12 11.984 -2.806 -14.371 61 H SER 13 H SER 13 12.121 -1.377 -8.493 62 HA SER 13 HA SER 13 10.583 -3.582 -8.801 63 HB2 SER 13 1HB SER 13 11.295 -4.284 -6.525 64 HB3 SER 13 2HB SER 13 12.623 -3.614 -7.472 65 HG SER 13 HG SER 13 12.071 -2.878 -5.125 66 H LEU 14 H LEU 14 10.158 -1.515 -5.927 67 HA LEU 14 HA LEU 14 7.836 -2.492 -4.947 68 HB2 LEU 14 1HB LEU 14 9.222 -0.558 -4.082 69 HB3 LEU 14 2HB LEU 14 8.314 0.468 -5.190 70 HG LEU 14 HG LEU 14 6.234 -0.156 -4.004 71 HD11 LEU 14 1HD1 LEU 14 6.516 -2.188 -2.992 72 HD12 LEU 14 2HD1 LEU 14 6.773 -1.113 -1.619 73 HD13 LEU 14 3HD1 LEU 14 8.155 -1.821 -2.455 74 HD21 LEU 14 1HD2 LEU 14 8.408 1.457 -3.012 75 HD22 LEU 14 2HD2 LEU 14 7.419 0.845 -1.686 76 HD23 LEU 14 3HD2 LEU 14 6.673 1.772 -2.989 77 H LEU 15 H LEU 15 7.923 0.231 -7.255 78 HA LEU 15 HA LEU 15 5.256 0.529 -7.742 79 HB2 LEU 15 1HB LEU 15 7.260 1.795 -8.714 80 HB3 LEU 15 2HB LEU 15 7.250 0.574 -9.985 81 HG LEU 15 HG LEU 15 4.711 1.337 -10.171 82 HD11 LEU 15 1HD1 LEU 15 5.310 2.995 -8.219 83 HD12 LEU 15 2HD1 LEU 15 4.231 3.476 -9.527 84 HD13 LEU 15 3HD1 LEU 15 5.920 3.982 -9.547 85 HD21 LEU 15 1HD2 LEU 15 5.871 3.295 -11.669 86 HD22 LEU 15 2HD2 LEU 15 5.709 1.609 -12.160 87 HD23 LEU 15 3HD2 LEU 15 7.215 2.176 -11.438 88 H VAL 16 H VAL 16 7.341 -2.039 -8.843 89 HA VAL 16 HA VAL 16 5.342 -3.106 -10.660 90 HB VAL 16 HB VAL 16 8.022 -4.234 -9.838 91 HG11 VAL 16 1HG1 VAL 16 6.958 -6.107 -10.603 92 HG12 VAL 16 2HG1 VAL 16 5.880 -5.197 -11.663 93 HG13 VAL 16 3HG1 VAL 16 7.561 -5.460 -12.128 94 HG21 VAL 16 1HG2 VAL 16 7.490 -2.032 -11.422 95 HG22 VAL 16 2HG2 VAL 16 8.983 -2.971 -11.409 96 HG23 VAL 16 3HG2 VAL 16 7.721 -3.339 -12.585 97 H TRP 17 H TRP 17 6.461 -3.585 -7.411 98 HA TRP 17 HA TRP 17 5.441 -6.204 -7.025 99 HB2 TRP 17 1HB TRP 17 7.147 -5.086 -5.566 100 HB3 TRP 17 2HB TRP 17 5.860 -4.069 -4.925 101 HD1 TRP 17 HD TRP 17 7.056 -7.722 -4.924 102 HE1 TRP 17 1HE TRP 17 5.991 -8.924 -2.913 103 HE3 TRP 17 3HE TRP 17 3.919 -4.013 -3.329 104 HZ2 TRP 17 2HZ TRP 17 4.074 -8.373 -0.915 105 HZ3 TRP 17 3HZ TRP 17 2.503 -4.431 -1.361 106 HH2 TRP 17 HH TRP 17 2.580 -6.567 -0.181 107 H CYS 18 H CYS 18 4.086 -2.978 -6.594 108 HA CYS 18 HA CYS 18 1.662 -3.912 -5.385 109 HB2 CYS 18 1HB CYS 18 0.884 -1.563 -5.776 110 HB3 CYS 18 2HB CYS 18 2.390 -1.680 -4.874 111 HG CYS 18 HG CYS 18 3.864 -1.270 -7.394 112 H LYS 19 H LYS 19 2.507 -2.646 -8.601 113 HA LYS 19 HA LYS 19 -0.041 -2.936 -9.746 114 HB2 LYS 19 1HB LYS 19 2.715 -2.909 -10.978 115 HB3 LYS 19 2HB LYS 19 1.238 -2.946 -11.933 116 HG2 LYS 19 1HG LYS 19 0.635 -0.798 -11.324 117 HG3 LYS 19 2HG LYS 19 1.644 -0.817 -9.876 118 HD2 LYS 19 1HD LYS 19 2.804 0.573 -11.352 119 HD3 LYS 19 2HD LYS 19 3.625 -0.982 -11.502 120 HE2 LYS 19 1HE LYS 19 1.383 -0.217 -13.342 121 HE3 LYS 19 2HE LYS 19 3.036 0.312 -13.650 122 HZ1 LYS 19 1HZ LYS 19 3.231 -1.628 -14.707 123 HZ2 LYS 19 2HZ LYS 19 1.850 -2.288 -13.986 124 HZ3 LYS 19 3HZ LYS 19 3.332 -2.329 -13.171 125 H GLU 20 H GLU 20 2.255 -5.269 -8.834 126 HA GLU 20 HA GLU 20 1.466 -7.272 -10.755 127 HB2 GLU 20 1HB GLU 20 3.752 -7.189 -9.792 128 HB3 GLU 20 2HB GLU 20 3.077 -7.577 -8.216 129 HG2 GLU 20 1HG GLU 20 2.685 -9.364 -10.590 130 HG3 GLU 20 2HG GLU 20 4.109 -9.474 -9.556 131 H VAL 21 H VAL 21 1.178 -6.983 -7.210 132 HA VAL 21 HA VAL 21 -0.601 -9.160 -6.929 133 HB VAL 21 HB VAL 21 -0.792 -8.592 -4.680 134 HG11 VAL 21 1HG1 VAL 21 1.370 -8.671 -4.108 135 HG12 VAL 21 2HG1 VAL 21 1.692 -8.575 -5.840 136 HG13 VAL 21 3HG1 VAL 21 1.718 -7.112 -4.855 137 HG21 VAL 21 1HG2 VAL 21 -0.442 -6.331 -3.787 138 HG22 VAL 21 2HG2 VAL 21 -0.168 -5.734 -5.424 139 HG23 VAL 21 3HG2 VAL 21 -1.747 -6.375 -4.972 140 H THR 22 H THR 22 -1.061 -5.901 -7.909 141 HA THR 22 HA THR 22 -3.958 -6.070 -7.464 142 HB THR 22 HB THR 22 -4.024 -3.672 -7.975 143 HG1 THR 22 1HG THR 22 -1.366 -4.168 -8.675 144 HG21 THR 22 1HG2 THR 22 -3.607 -4.439 -5.655 145 HG22 THR 22 2HG2 THR 22 -2.890 -2.864 -5.994 146 HG23 THR 22 3HG2 THR 22 -1.874 -4.305 -5.951 147 H LYS 23 H LYS 23 -2.504 -7.547 -9.565 148 HA LYS 23 HA LYS 23 -3.074 -6.266 -12.064 149 HB2 LYS 23 1HB LYS 23 -2.059 -8.934 -11.205 150 HB3 LYS 23 2HB LYS 23 -2.724 -8.788 -12.827 151 HG2 LYS 23 1HG LYS 23 -1.133 -6.762 -13.040 152 HG3 LYS 23 2HG LYS 23 -0.310 -7.477 -11.652 153 HD2 LYS 23 1HD LYS 23 -0.965 -9.247 -13.948 154 HD3 LYS 23 2HD LYS 23 0.353 -8.090 -14.146 155 HE2 LYS 23 1HE LYS 23 1.201 -10.227 -13.356 156 HE3 LYS 23 2HE LYS 23 1.427 -8.980 -12.131 157 HZ1 LYS 23 1HZ LYS 23 0.095 -10.040 -10.710 158 HZ2 LYS 23 2HZ LYS 23 0.294 -11.393 -11.705 159 HZ3 LYS 23 3HZ LYS 23 -1.063 -10.400 -11.889 160 H ASN 24 H ASN 24 -4.959 -6.177 -13.085 161 HA ASN 24 HA ASN 24 -7.073 -6.661 -13.782 162 HB2 ASN 24 1HB ASN 24 -6.770 -9.367 -12.475 163 HB3 ASN 24 2HB ASN 24 -7.836 -8.923 -13.805 164 HD21 ASN 24 1HD2 ASN 24 -4.728 -9.983 -12.892 165 HD22 ASN 24 2HD2 ASN 24 -4.042 -10.078 -14.475 166 H TYR 25 H TYR 25 -6.690 -5.305 -11.364 167 HA TYR 25 HA TYR 25 -8.658 -6.401 -9.506 168 HB2 TYR 25 1HB TYR 25 -6.528 -4.332 -9.355 169 HB3 TYR 25 2HB TYR 25 -7.934 -4.114 -8.319 170 HD1 TYR 25 2HD TYR 25 -5.929 -7.101 -9.350 171 HD2 TYR 25 1HD TYR 25 -7.454 -4.741 -6.155 172 HE1 TYR 25 2HE TYR 25 -4.975 -8.687 -7.731 173 HE2 TYR 25 1HE TYR 25 -6.503 -6.320 -4.527 174 HH TYR 25 HH TYR 25 -5.442 -8.252 -4.239 175 H ARG 26 H ARG 26 -10.177 -4.717 -8.511 176 HA ARG 26 HA ARG 26 -11.708 -3.563 -10.674 177 HB2 ARG 26 1HB ARG 26 -12.705 -4.828 -8.722 178 HB3 ARG 26 2HB ARG 26 -12.315 -3.435 -7.721 179 HG2 ARG 26 1HG ARG 26 -13.928 -2.122 -8.671 180 HG3 ARG 26 2HG ARG 26 -13.903 -3.007 -10.198 181 HD2 ARG 26 1HD ARG 26 -14.996 -4.910 -9.093 182 HD3 ARG 26 2HD ARG 26 -15.047 -3.995 -7.587 183 HE ARG 26 HE ARG 26 -16.340 -2.359 -9.264 184 HH11 ARG 26 1HH1 ARG 26 -16.655 -5.773 -8.663 185 HH12 ARG 26 2HH1 ARG 26 -18.345 -5.816 -9.043 186 HH21 ARG 26 1HH2 ARG 26 -18.564 -2.402 -9.766 187 HH22 ARG 26 2HH2 ARG 26 -19.430 -3.899 -9.670 188 H GLY 27 H GLY 27 -9.700 -2.083 -10.987 189 HA2 GLY 27 1HA GLY 27 -9.404 0.249 -11.209 190 HA3 GLY 27 2HA GLY 27 -10.408 0.488 -9.787 191 H VAL 28 H VAL 28 -7.207 -0.409 -10.921 192 HA VAL 28 HA VAL 28 -6.079 0.634 -8.445 193 HB VAL 28 HB VAL 28 -5.363 -2.117 -9.470 194 HG11 VAL 28 1HG1 VAL 28 -3.407 -1.706 -8.476 195 HG12 VAL 28 2HG1 VAL 28 -4.012 -0.235 -7.712 196 HG13 VAL 28 3HG1 VAL 28 -4.288 -1.802 -6.952 197 HG21 VAL 28 1HG2 VAL 28 -6.388 -3.001 -7.507 198 HG22 VAL 28 2HG2 VAL 28 -6.672 -1.387 -6.856 199 HG23 VAL 28 3HG2 VAL 28 -7.561 -1.933 -8.277 200 H LYS 29 H LYS 29 -4.859 2.219 -9.258 201 HA LYS 29 HA LYS 29 -2.954 1.527 -11.394 202 HB2 LYS 29 1HB LYS 29 -3.166 3.890 -12.190 203 HB3 LYS 29 2HB LYS 29 -4.615 2.920 -12.416 204 HG2 LYS 29 1HG LYS 29 -5.586 4.776 -11.570 205 HG3 LYS 29 2HG LYS 29 -5.207 3.972 -10.045 206 HD2 LYS 29 1HD LYS 29 -4.323 6.027 -9.602 207 HD3 LYS 29 2HD LYS 29 -2.918 5.277 -10.362 208 HE2 LYS 29 1HE LYS 29 -4.936 6.804 -11.973 209 HE3 LYS 29 2HE LYS 29 -3.622 7.628 -11.136 210 HZ1 LYS 29 1HZ LYS 29 -3.549 5.965 -13.504 211 HZ2 LYS 29 2HZ LYS 29 -2.300 5.682 -12.400 212 HZ3 LYS 29 3HZ LYS 29 -2.529 7.232 -13.038 213 H ILE 30 H ILE 30 -0.883 1.976 -10.968 214 HA ILE 30 HA ILE 30 -0.297 3.714 -8.659 215 HB ILE 30 HB ILE 30 1.201 1.249 -9.555 216 HG12 ILE 30 1HG1 ILE 30 0.592 0.772 -6.996 217 HG13 ILE 30 2HG1 ILE 30 -0.748 1.845 -7.384 218 HG21 ILE 30 1HG2 ILE 30 2.091 3.547 -8.096 219 HG22 ILE 30 2HG2 ILE 30 2.114 2.130 -7.048 220 HG23 ILE 30 3HG2 ILE 30 2.996 2.111 -8.575 221 HD11 ILE 30 1HD1 ILE 30 -1.818 0.112 -8.235 222 HD12 ILE 30 2HD1 ILE 30 -0.583 0.000 -9.488 223 HD13 ILE 30 3HD1 ILE 30 -0.410 -0.921 -7.995 224 H THR 31 H THR 31 -0.085 5.518 -10.068 225 HA THR 31 HA THR 31 2.120 5.426 -11.992 226 HB THR 31 HB THR 31 0.072 6.400 -12.845 227 HG1 THR 31 1HG THR 31 1.395 7.689 -13.862 228 HG21 THR 31 1HG2 THR 31 -0.691 8.612 -11.855 229 HG22 THR 31 2HG2 THR 31 0.295 8.210 -10.449 230 HG23 THR 31 3HG2 THR 31 -1.051 7.169 -10.909 231 H ASN 32 H ASN 32 1.277 6.671 -8.881 232 HA ASN 32 HA ASN 32 3.966 7.756 -8.596 233 HB2 ASN 32 1HB ASN 32 1.663 9.434 -7.643 234 HB3 ASN 32 2HB ASN 32 3.334 9.910 -7.930 235 HD21 ASN 32 1HD2 ASN 32 0.380 10.413 -9.014 236 HD22 ASN 32 2HD2 ASN 32 0.677 10.655 -10.698 237 H PHE 33 H PHE 33 4.460 8.291 -6.300 238 HA PHE 33 HA PHE 33 3.090 6.383 -4.534 239 HB2 PHE 33 1HB PHE 33 5.894 7.474 -4.573 240 HB3 PHE 33 2HB PHE 33 5.232 6.707 -3.134 241 HD1 PHE 33 2HD PHE 33 4.315 4.329 -3.390 242 HD2 PHE 33 1HD PHE 33 6.848 6.196 -6.256 243 HE1 PHE 33 2HE PHE 33 4.918 2.121 -4.291 244 HE2 PHE 33 1HE PHE 33 7.455 3.991 -7.162 245 HZ PHE 33 HZ PHE 33 6.490 1.949 -6.179 246 H THR 34 H THR 34 1.873 8.859 -4.969 247 HA THR 34 HA THR 34 2.116 10.049 -2.291 248 HB THR 34 HB THR 34 1.549 12.281 -3.370 249 HG1 THR 34 1HG THR 34 1.861 12.480 -5.547 250 HG21 THR 34 1HG2 THR 34 4.164 11.830 -4.485 251 HG22 THR 34 2HG2 THR 34 4.010 11.004 -2.934 252 HG23 THR 34 3HG2 THR 34 3.706 12.738 -3.044 253 H THR 35 H THR 35 0.075 10.741 -5.119 254 HA THR 35 HA THR 35 -2.286 10.778 -3.472 255 HB THR 35 HB THR 35 -3.490 11.422 -5.457 256 HG1 THR 35 1HG THR 35 -1.102 10.772 -6.877 257 HG21 THR 35 1HG2 THR 35 -2.221 13.401 -6.150 258 HG22 THR 35 2HG2 THR 35 -0.762 12.719 -5.430 259 HG23 THR 35 3HG2 THR 35 -2.128 13.161 -4.406 260 H SER 36 H SER 36 -0.918 8.667 -5.951 261 HA SER 36 HA SER 36 -2.975 6.971 -6.509 262 HB2 SER 36 1HB SER 36 -0.581 6.865 -7.370 263 HB3 SER 36 2HB SER 36 -0.195 5.951 -5.913 264 HG SER 36 HG SER 36 -1.849 4.454 -6.576 265 H TRP 37 H TRP 37 -1.161 7.190 -3.535 266 HA TRP 37 HA TRP 37 -2.646 4.901 -2.441 267 HB2 TRP 37 1HB TRP 37 -0.278 6.316 -1.205 268 HB3 TRP 37 2HB TRP 37 -0.976 4.775 -0.715 269 HD1 TRP 37 HD TRP 37 1.190 6.330 -3.477 270 HE1 TRP 37 1HE TRP 37 2.456 4.439 -4.680 271 HE3 TRP 37 3HE TRP 37 -1.039 2.308 -1.241 272 HZ2 TRP 37 2HZ TRP 37 2.504 1.617 -4.681 273 HZ3 TRP 37 3HZ TRP 37 -0.326 0.048 -1.900 274 HH2 TRP 37 HH TRP 37 1.409 -0.289 -3.585 275 H ARG 38 H ARG 38 -2.353 8.319 -2.317 276 HA ARG 38 HA ARG 38 -3.065 9.120 0.156 277 HB2 ARG 38 1HB ARG 38 -2.880 10.842 -1.392 278 HB3 ARG 38 2HB ARG 38 -3.954 10.059 -2.543 279 HG2 ARG 38 1HG ARG 38 -5.842 10.845 -1.534 280 HG3 ARG 38 2HG ARG 38 -5.088 10.926 0.060 281 HD2 ARG 38 1HD ARG 38 -4.080 12.961 -0.376 282 HD3 ARG 38 2HD ARG 38 -4.141 12.731 -2.123 283 HE ARG 38 HE ARG 38 -6.126 13.955 -0.495 284 HH11 ARG 38 1HH1 ARG 38 -5.678 11.999 -3.340 285 HH12 ARG 38 2HH1 ARG 38 -7.149 12.523 -4.091 286 HH21 ARG 38 1HH2 ARG 38 -8.065 14.652 -1.473 287 HH22 ARG 38 2HH2 ARG 38 -8.506 14.032 -3.028 288 H ASN 39 H ASN 39 -5.221 7.622 -2.209 289 HA ASN 39 HA ASN 39 -7.557 7.874 -0.576 290 HB2 ASN 39 1HB ASN 39 -8.450 6.130 -2.262 291 HB3 ASN 39 2HB ASN 39 -8.024 7.728 -2.868 292 HD21 ASN 39 1HD2 ASN 39 -8.184 5.791 -4.666 293 HD22 ASN 39 2HD2 ASN 39 -6.619 5.295 -5.204 294 H GLY 40 H GLY 40 -5.610 5.049 -1.572 295 HA2 GLY 40 1HA GLY 40 -4.909 3.641 0.417 296 HA3 GLY 40 2HA GLY 40 -6.618 3.652 0.826 297 H LEU 41 H LEU 41 -7.219 3.524 -2.149 298 HA LEU 41 HA LEU 41 -7.959 0.962 -2.462 299 HB2 LEU 41 1HB LEU 41 -6.812 2.800 -4.551 300 HB3 LEU 41 2HB LEU 41 -7.576 1.259 -4.936 301 HG LEU 41 HG LEU 41 -8.834 3.768 -3.872 302 HD11 LEU 41 1HD1 LEU 41 -8.992 2.111 -6.329 303 HD12 LEU 41 2HD1 LEU 41 -9.021 3.863 -6.138 304 HD13 LEU 41 3HD1 LEU 41 -10.462 2.914 -5.776 305 HD21 LEU 41 1HD2 LEU 41 -9.661 2.009 -2.444 306 HD22 LEU 41 2HD2 LEU 41 -9.993 0.983 -3.840 307 HD23 LEU 41 3HD2 LEU 41 -10.917 2.466 -3.595 308 H SER 42 H SER 42 -4.784 2.190 -3.525 309 HA SER 42 HA SER 42 -3.730 -0.267 -4.338 310 HB2 SER 42 1HB SER 42 -2.266 2.142 -3.233 311 HB3 SER 42 2HB SER 42 -1.519 0.816 -4.124 312 HG SER 42 HG SER 42 -3.683 2.041 -5.347 313 H PHE 43 H PHE 43 -3.674 1.337 -1.188 314 HA PHE 43 HA PHE 43 -1.956 -0.443 0.128 315 HB2 PHE 43 1HB PHE 43 -4.078 1.468 1.024 316 HB3 PHE 43 2HB PHE 43 -3.381 0.351 2.192 317 HD1 PHE 43 2HD PHE 43 -0.586 0.242 1.413 318 HD2 PHE 43 1HD PHE 43 -3.251 3.559 1.531 319 HE1 PHE 43 2HE PHE 43 1.324 1.761 1.725 320 HE2 PHE 43 1HE PHE 43 -1.345 5.083 1.842 321 HZ PHE 43 HZ PHE 43 0.946 4.185 1.941 322 H CYS 44 H CYS 44 -5.514 -0.397 -0.008 323 HA CYS 44 HA CYS 44 -5.844 -2.796 1.464 324 HB2 CYS 44 1HB CYS 44 -7.681 -1.282 -0.392 325 HB3 CYS 44 2HB CYS 44 -8.180 -2.731 0.472 326 HG CYS 44 HG CYS 44 -7.493 0.355 1.720 327 H ALA 45 H ALA 45 -6.331 -2.158 -2.014 328 HA ALA 45 HA ALA 45 -6.878 -4.556 -3.039 329 HB1 ALA 45 1HB ALA 45 -4.603 -3.130 -4.335 330 HB2 ALA 45 2HB ALA 45 -6.040 -3.854 -5.058 331 HB3 ALA 45 3HB ALA 45 -6.163 -2.319 -4.198 332 H ILE 46 H ILE 46 -3.585 -3.566 -2.125 333 HA ILE 46 HA ILE 46 -2.236 -5.880 -2.854 334 HB ILE 46 HB ILE 46 -1.689 -3.960 -0.593 335 HG12 ILE 46 1HG1 ILE 46 -0.225 -4.292 -3.210 336 HG13 ILE 46 2HG1 ILE 46 -1.592 -3.200 -3.024 337 HG21 ILE 46 1HG2 ILE 46 -0.650 -6.047 -0.011 338 HG22 ILE 46 2HG2 ILE 46 0.020 -6.213 -1.633 339 HG23 ILE 46 3HG2 ILE 46 0.596 -4.930 -0.568 340 HD11 ILE 46 1HD1 ILE 46 1.016 -3.067 -1.532 341 HD12 ILE 46 2HD1 ILE 46 0.478 -1.989 -2.819 342 HD13 ILE 46 3HD1 ILE 46 -0.363 -2.000 -1.269 343 H LEU 47 H LEU 47 -3.375 -5.053 0.429 344 HA LEU 47 HA LEU 47 -2.841 -7.516 1.605 345 HB2 LEU 47 1HB LEU 47 -3.426 -5.424 2.803 346 HB3 LEU 47 2HB LEU 47 -5.099 -5.642 2.294 347 HG LEU 47 HG LEU 47 -5.185 -7.744 3.590 348 HD11 LEU 47 1HD1 LEU 47 -2.328 -7.136 3.910 349 HD12 LEU 47 2HD1 LEU 47 -3.175 -8.682 3.941 350 HD13 LEU 47 3HD1 LEU 47 -3.159 -7.657 5.376 351 HD21 LEU 47 1HD2 LEU 47 -4.231 -5.590 5.433 352 HD22 LEU 47 2HD2 LEU 47 -5.582 -6.708 5.622 353 HD23 LEU 47 3HD2 LEU 47 -5.701 -5.366 4.484 354 H HIS 48 H HIS 48 -5.381 -6.578 -0.534 355 HA HIS 48 HA HIS 48 -7.186 -8.697 0.142 356 HB2 HIS 48 1HB HIS 48 -7.675 -6.432 -1.053 357 HB3 HIS 48 2HB HIS 48 -7.194 -7.294 -2.511 358 HD1 HIS 48 1HD HIS 48 -8.897 -8.813 -3.562 359 HD2 HIS 48 2HD HIS 48 -10.016 -7.532 0.229 360 HE1 HIS 48 1HE HIS 48 -11.276 -9.575 -3.269 361 HE2 HIS 48 2HE HIS 48 -11.959 -8.714 -1.003 362 H HIS 49 H HIS 49 -4.577 -8.249 -2.155 363 HA HIS 49 HA HIS 49 -5.042 -10.363 -3.890 364 HB2 HIS 49 1HB HIS 49 -3.203 -8.544 -3.940 365 HB3 HIS 49 2HB HIS 49 -2.270 -9.665 -2.953 366 HD1 HIS 49 1HD HIS 49 -4.360 -10.183 -6.100 367 HD2 HIS 49 2HD HIS 49 -0.555 -10.924 -4.607 368 HE1 HIS 49 1HE HIS 49 -3.159 -11.441 -7.916 369 HE2 HIS 49 2HE HIS 49 -0.887 -11.953 -6.957 370 H PHE 50 H PHE 50 -3.263 -10.363 -0.815 371 HA PHE 50 HA PHE 50 -2.684 -13.158 -0.916 372 HB2 PHE 50 1HB PHE 50 -2.680 -11.404 1.543 373 HB3 PHE 50 2HB PHE 50 -1.765 -12.885 1.276 374 HD1 PHE 50 2HD PHE 50 -2.031 -9.323 0.432 375 HD2 PHE 50 1HD PHE 50 0.281 -12.875 0.045 376 HE1 PHE 50 2HE PHE 50 -0.136 -7.994 -0.404 377 HE2 PHE 50 1HE PHE 50 2.180 -11.552 -0.792 378 HZ PHE 50 HZ PHE 50 1.972 -9.109 -1.018 379 H ARG 51 H ARG 51 -5.076 -11.177 0.794 380 HA ARG 51 HA ARG 51 -6.765 -13.544 1.074 381 HB2 ARG 51 1HB ARG 51 -5.552 -12.009 3.303 382 HB3 ARG 51 2HB ARG 51 -7.248 -12.440 3.480 383 HG2 ARG 51 1HG ARG 51 -5.084 -14.429 2.842 384 HG3 ARG 51 2HG ARG 51 -5.628 -14.057 4.480 385 HD2 ARG 51 1HD ARG 51 -7.414 -15.046 2.261 386 HD3 ARG 51 2HD ARG 51 -6.698 -16.074 3.502 387 HE ARG 51 HE ARG 51 -8.242 -13.865 4.526 388 HH11 ARG 51 1HH1 ARG 51 -8.295 -17.179 3.461 389 HH12 ARG 51 2HH1 ARG 51 -9.729 -17.578 4.348 390 HH21 ARG 51 1HH2 ARG 51 -10.130 -14.378 5.699 391 HH22 ARG 51 2HH2 ARG 51 -10.772 -15.984 5.620 392 HA PRO 52 HA PRO 52 -9.407 -10.224 -0.447 393 HB2 PRO 52 1HB PRO 52 -11.396 -11.883 -1.260 394 HB3 PRO 52 2HB PRO 52 -9.931 -11.602 -2.209 395 HG2 PRO 52 1HG PRO 52 -10.603 -13.885 -0.393 396 HG3 PRO 52 2HG PRO 52 -9.836 -13.915 -1.992 397 HD2 PRO 52 1HD PRO 52 -8.421 -14.130 0.307 398 HD3 PRO 52 2HD PRO 52 -7.766 -13.352 -1.148 399 H ASP 53 H ASP 53 -9.553 -12.082 2.262 400 HA ASP 53 HA ASP 53 -12.262 -11.202 2.991 401 HB2 ASP 53 1HB ASP 53 -10.532 -13.475 3.838 402 HB3 ASP 53 2HB ASP 53 -11.635 -12.799 5.033 403 H LEU 54 H LEU 54 -8.903 -11.216 4.104 404 HA LEU 54 HA LEU 54 -9.030 -10.053 6.542 405 HB2 LEU 54 1HB LEU 54 -7.131 -9.804 4.279 406 HB3 LEU 54 2HB LEU 54 -6.963 -8.656 5.605 407 HG LEU 54 HG LEU 54 -6.857 -11.659 5.878 408 HD11 LEU 54 1HD1 LEU 54 -4.837 -9.655 5.225 409 HD12 LEU 54 2HD1 LEU 54 -4.795 -11.410 5.054 410 HD13 LEU 54 3HD1 LEU 54 -4.417 -10.667 6.608 411 HD21 LEU 54 1HD2 LEU 54 -5.716 -10.152 8.037 412 HD22 LEU 54 2HD2 LEU 54 -6.994 -11.367 8.074 413 HD23 LEU 54 3HD2 LEU 54 -7.395 -9.674 7.783 414 H ILE 55 H ILE 55 -9.636 -8.489 3.465 415 HA ILE 55 HA ILE 55 -10.469 -6.073 4.932 416 HB ILE 55 HB ILE 55 -9.622 -5.811 2.094 417 HG12 ILE 55 1HG1 ILE 55 -7.275 -5.251 3.251 418 HG13 ILE 55 2HG1 ILE 55 -7.818 -6.507 4.358 419 HG21 ILE 55 1HG2 ILE 55 -10.088 -3.715 2.689 420 HG22 ILE 55 2HG2 ILE 55 -10.116 -4.127 4.403 421 HG23 ILE 55 3HG2 ILE 55 -8.586 -3.747 3.612 422 HD11 ILE 55 1HD1 ILE 55 -7.055 -8.012 2.934 423 HD12 ILE 55 2HD1 ILE 55 -8.274 -7.488 1.772 424 HD13 ILE 55 3HD1 ILE 55 -6.670 -6.757 1.757 425 H ASP 56 H ASP 56 -11.773 -4.661 3.123 426 HA ASP 56 HA ASP 56 -13.859 -6.474 2.099 427 HB2 ASP 56 1HB ASP 56 -14.041 -3.858 3.543 428 HB3 ASP 56 2HB ASP 56 -15.301 -4.292 2.392 429 H TYR 57 H TYR 57 -11.453 -5.392 0.749 430 HA TYR 57 HA TYR 57 -11.959 -3.281 -0.958 431 HB2 TYR 57 1HB TYR 57 -9.795 -4.560 -0.702 432 HB3 TYR 57 2HB TYR 57 -10.479 -5.790 -1.760 433 HD1 TYR 57 2HD TYR 57 -11.270 -5.006 -4.092 434 HD2 TYR 57 1HD TYR 57 -8.662 -2.739 -1.611 435 HE1 TYR 57 2HE TYR 57 -10.504 -3.745 -6.060 436 HE2 TYR 57 1HE TYR 57 -7.889 -1.470 -3.572 437 HH TYR 57 HH TYR 57 -9.377 -1.162 -6.264 438 H LYS 58 H LYS 58 -13.411 -6.381 -0.900 439 HA LYS 58 HA LYS 58 -14.149 -6.692 -3.588 440 HB2 LYS 58 1HB LYS 58 -15.913 -8.185 -2.736 441 HB3 LYS 58 2HB LYS 58 -14.357 -8.506 -1.980 442 HG2 LYS 58 1HG LYS 58 -15.197 -6.958 -0.101 443 HG3 LYS 58 2HG LYS 58 -16.792 -7.227 -0.806 444 HD2 LYS 58 1HD LYS 58 -14.956 -9.490 -0.062 445 HD3 LYS 58 2HD LYS 58 -16.095 -8.781 1.084 446 HE2 LYS 58 1HE LYS 58 -17.932 -9.578 -0.042 447 HE3 LYS 58 2HE LYS 58 -17.091 -9.636 -1.590 448 HZ1 LYS 58 1HZ LYS 58 -16.566 -11.747 -1.246 449 HZ2 LYS 58 2HZ LYS 58 -17.550 -11.739 0.130 450 HZ3 LYS 58 3HZ LYS 58 -15.896 -11.411 0.271 451 H SER 59 H SER 59 -15.384 -4.640 -1.082 452 HA SER 59 HA SER 59 -17.363 -3.581 -2.981 453 HB2 SER 59 1HB SER 59 -17.801 -4.467 -0.154 454 HB3 SER 59 2HB SER 59 -18.741 -3.115 -0.785 455 HG SER 59 HG SER 59 -19.399 -5.540 -1.059 456 H LEU 60 H LEU 60 -14.702 -2.666 -2.351 457 HA LEU 60 HA LEU 60 -15.139 -0.264 -0.747 458 HB2 LEU 60 1HB LEU 60 -12.726 -1.659 -1.829 459 HB3 LEU 60 2HB LEU 60 -12.623 0.030 -1.335 460 HG LEU 60 HG LEU 60 -13.154 -2.389 0.366 461 HD11 LEU 60 1HD1 LEU 60 -11.130 -1.991 1.281 462 HD12 LEU 60 2HD1 LEU 60 -11.284 -0.241 1.135 463 HD13 LEU 60 3HD1 LEU 60 -10.831 -1.206 -0.270 464 HD21 LEU 60 1HD2 LEU 60 -13.861 0.468 0.868 465 HD22 LEU 60 2HD2 LEU 60 -13.330 -0.551 2.205 466 HD23 LEU 60 3HD2 LEU 60 -14.756 -0.998 1.267 467 H ASN 61 H ASN 61 -13.599 1.617 -1.791 468 HA ASN 61 HA ASN 61 -13.731 1.941 -4.597 469 HB2 ASN 61 1HB ASN 61 -16.005 2.997 -2.967 470 HB3 ASN 61 2HB ASN 61 -15.433 3.945 -4.337 471 HD21 ASN 61 1HD2 ASN 61 -14.796 2.061 -6.163 472 HD22 ASN 61 2HD2 ASN 61 -16.203 1.168 -6.622 473 HA PRO 62 HA PRO 62 -10.919 5.189 -3.707 474 HB2 PRO 62 1HB PRO 62 -11.360 6.915 -5.755 475 HB3 PRO 62 2HB PRO 62 -10.550 5.359 -5.968 476 HG2 PRO 62 1HG PRO 62 -13.399 6.102 -6.510 477 HG3 PRO 62 2HG PRO 62 -12.292 5.120 -7.489 478 HD2 PRO 62 1HD PRO 62 -14.185 4.026 -5.892 479 HD3 PRO 62 2HD PRO 62 -12.626 3.236 -6.205 480 H GLN 63 H GLN 63 -14.152 5.567 -3.254 481 HA GLN 63 HA GLN 63 -14.265 8.417 -2.891 482 HB2 GLN 63 1HB GLN 63 -16.496 7.893 -1.843 483 HB3 GLN 63 2HB GLN 63 -16.304 7.352 -3.505 484 HG2 GLN 63 1HG GLN 63 -17.434 5.696 -2.096 485 HG3 GLN 63 2HG GLN 63 -15.923 5.090 -2.774 486 HE21 GLN 63 1HE2 GLN 63 -15.369 3.613 -1.285 487 HE22 GLN 63 2HE2 GLN 63 -15.068 3.961 0.380 488 H ASP 64 H ASP 64 -13.203 5.765 -1.040 489 HA ASP 64 HA ASP 64 -13.393 7.310 1.455 490 HB2 ASP 64 1HB ASP 64 -13.279 4.392 0.843 491 HB3 ASP 64 2HB ASP 64 -12.583 4.949 2.362 492 H ILE 65 H ILE 65 -11.640 8.438 1.945 493 HA ILE 65 HA ILE 65 -9.031 7.560 0.951 494 HB ILE 65 HB ILE 65 -9.833 10.168 2.246 495 HG12 ILE 65 1HG1 ILE 65 -9.298 9.421 -0.635 496 HG13 ILE 65 2HG1 ILE 65 -10.834 9.937 0.052 497 HG21 ILE 65 1HG2 ILE 65 -7.332 9.090 2.191 498 HG22 ILE 65 2HG2 ILE 65 -7.346 10.042 0.707 499 HG23 ILE 65 3HG2 ILE 65 -7.687 10.817 2.254 500 HD11 ILE 65 1HD1 ILE 65 -9.956 12.145 0.449 501 HD12 ILE 65 2HD1 ILE 65 -8.362 11.642 -0.114 502 HD13 ILE 65 3HD1 ILE 65 -9.718 11.699 -1.240 503 H LYS 66 H LYS 66 -10.560 8.624 3.981 504 HA LYS 66 HA LYS 66 -8.291 7.946 5.584 505 HB2 LYS 66 1HB LYS 66 -10.234 9.636 6.048 506 HB3 LYS 66 2HB LYS 66 -11.061 8.225 6.695 507 HG2 LYS 66 1HG LYS 66 -9.587 7.997 8.451 508 HG3 LYS 66 2HG LYS 66 -8.299 8.872 7.620 509 HD2 LYS 66 1HD LYS 66 -9.124 10.288 9.354 510 HD3 LYS 66 2HD LYS 66 -9.700 10.941 7.819 511 HE2 LYS 66 1HE LYS 66 -11.843 9.681 8.217 512 HE3 LYS 66 2HE LYS 66 -11.250 9.334 9.840 513 HZ1 LYS 66 1HZ LYS 66 -10.958 12.067 9.423 514 HZ2 LYS 66 2HZ LYS 66 -12.033 11.289 10.472 515 HZ3 LYS 66 3HZ LYS 66 -12.513 11.663 8.894 516 H GLU 67 H GLU 67 -11.518 6.495 5.165 517 HA GLU 67 HA GLU 67 -11.162 4.302 6.844 518 HB2 GLU 67 1HB GLU 67 -13.336 4.972 5.898 519 HB3 GLU 67 2HB GLU 67 -12.801 4.448 4.308 520 HG2 GLU 67 1HG GLU 67 -12.439 2.157 5.430 521 HG3 GLU 67 2HG GLU 67 -13.473 2.797 6.707 522 H ASN 68 H ASN 68 -10.985 4.237 3.279 523 HA ASN 68 HA ASN 68 -10.084 1.768 2.779 524 HB2 ASN 68 1HB ASN 68 -9.208 4.383 1.577 525 HB3 ASN 68 2HB ASN 68 -8.560 2.855 0.988 526 HD21 ASN 68 1HD2 ASN 68 -9.652 3.857 -0.967 527 HD22 ASN 68 2HD2 ASN 68 -11.291 3.390 -1.248 528 H ASN 69 H ASN 69 -7.952 4.441 3.770 529 HA ASN 69 HA ASN 69 -5.588 2.909 3.861 530 HB2 ASN 69 1HB ASN 69 -6.442 5.559 4.942 531 HB3 ASN 69 2HB ASN 69 -4.957 4.843 5.563 532 HD21 ASN 69 1HD2 ASN 69 -6.597 5.513 2.493 533 HD22 ASN 69 2HD2 ASN 69 -5.169 5.962 1.631 534 H LYS 70 H LYS 70 -7.880 3.851 6.407 535 HA LYS 70 HA LYS 70 -6.591 2.727 8.590 536 HB2 LYS 70 1HB LYS 70 -8.549 4.162 8.817 537 HB3 LYS 70 2HB LYS 70 -9.560 2.941 8.054 538 HG2 LYS 70 1HG LYS 70 -10.011 2.680 10.309 539 HG3 LYS 70 2HG LYS 70 -8.818 1.419 9.989 540 HD2 LYS 70 1HD LYS 70 -7.084 2.671 10.996 541 HD3 LYS 70 2HD LYS 70 -8.056 4.144 11.014 542 HE2 LYS 70 1HE LYS 70 -8.908 1.693 12.518 543 HE3 LYS 70 2HE LYS 70 -7.764 2.839 13.213 544 HZ1 LYS 70 1HZ LYS 70 -10.435 3.030 13.420 545 HZ2 LYS 70 2HZ LYS 70 -10.138 4.047 12.102 546 HZ3 LYS 70 3HZ LYS 70 -9.368 4.333 13.580 547 H LYS 71 H LYS 71 -9.057 1.228 6.500 548 HA LYS 71 HA LYS 71 -9.278 -1.238 7.653 549 HB2 LYS 71 1HB LYS 71 -9.086 -0.805 4.670 550 HB3 LYS 71 2HB LYS 71 -9.943 -2.096 5.502 551 HG2 LYS 71 1HG LYS 71 -11.217 -0.043 6.588 552 HG3 LYS 71 2HG LYS 71 -10.709 0.736 5.087 553 HD2 LYS 71 1HD LYS 71 -12.696 -0.146 4.392 554 HD3 LYS 71 2HD LYS 71 -11.640 -1.517 4.042 555 HE2 LYS 71 1HE LYS 71 -13.133 -1.195 6.637 556 HE3 LYS 71 2HE LYS 71 -13.783 -2.066 5.249 557 HZ1 LYS 71 1HZ LYS 71 -11.445 -3.257 5.448 558 HZ2 LYS 71 2HZ LYS 71 -12.799 -3.782 6.316 559 HZ3 LYS 71 3HZ LYS 71 -11.633 -2.815 7.071 560 H ALA 72 H ALA 72 -6.680 -0.073 5.580 561 HA ALA 72 HA ALA 72 -5.359 -2.576 5.311 562 HB1 ALA 72 1HB ALA 72 -4.839 0.207 4.576 563 HB2 ALA 72 2HB ALA 72 -3.388 -0.727 4.939 564 HB3 ALA 72 3HB ALA 72 -4.506 -1.284 3.694 565 H TYR 73 H TYR 73 -4.171 0.313 7.031 566 HA TYR 73 HA TYR 73 -2.150 -0.669 8.472 567 HB2 TYR 73 1HB TYR 73 -4.296 1.063 9.712 568 HB3 TYR 73 2HB TYR 73 -2.612 0.957 10.211 569 HD1 TYR 73 1HD TYR 73 -1.130 1.136 7.733 570 HD2 TYR 73 2HD TYR 73 -4.660 3.201 8.906 571 HE1 TYR 73 1HE TYR 73 -0.557 2.973 6.201 572 HE2 TYR 73 2HE TYR 73 -4.097 5.044 7.377 573 HH TYR 73 HH TYR 73 -2.280 5.980 6.213 574 H ASP 74 H ASP 74 -5.561 -1.148 9.268 575 HA ASP 74 HA ASP 74 -5.169 -2.496 11.709 576 HB2 ASP 74 1HB ASP 74 -7.343 -1.533 10.566 577 HB3 ASP 74 2HB ASP 74 -7.486 -3.174 9.942 578 H GLY 75 H GLY 75 -5.540 -3.698 8.388 579 HA2 GLY 75 1HA GLY 75 -5.371 -6.451 9.117 580 HA3 GLY 75 2HA GLY 75 -5.219 -5.796 7.494 581 H PHE 76 H PHE 76 -3.036 -4.248 7.570 582 HA PHE 76 HA PHE 76 -0.921 -6.079 7.442 583 HB2 PHE 76 1HB PHE 76 -0.855 -3.061 7.637 584 HB3 PHE 76 2HB PHE 76 0.532 -4.065 7.226 585 HD1 PHE 76 1HD PHE 76 -0.004 -5.799 5.246 586 HD2 PHE 76 2HD PHE 76 -1.972 -2.082 5.900 587 HE1 PHE 76 1HE PHE 76 -0.656 -5.731 2.874 588 HE2 PHE 76 2HE PHE 76 -2.628 -2.009 3.530 589 HZ PHE 76 HZ PHE 76 -1.971 -3.835 2.014 590 H ALA 77 H ALA 77 -1.646 -3.594 9.881 591 HA ALA 77 HA ALA 77 0.542 -4.161 11.561 592 HB1 ALA 77 1HB ALA 77 -0.750 -2.077 11.676 593 HB2 ALA 77 2HB ALA 77 -2.127 -2.975 12.314 594 HB3 ALA 77 3HB ALA 77 -0.634 -2.870 13.247 595 H SER 78 H SER 78 -2.224 -5.966 10.893 596 HA SER 78 HA SER 78 -2.713 -7.152 13.417 597 HB2 SER 78 1HB SER 78 -4.261 -7.189 11.413 598 HB3 SER 78 2HB SER 78 -3.214 -8.428 10.723 599 HG SER 78 HG SER 78 -4.635 -8.578 13.177 600 H ILE 79 H ILE 79 -0.403 -7.770 10.888 601 HA ILE 79 HA ILE 79 0.444 -10.273 12.139 602 HB ILE 79 HB ILE 79 2.105 -10.266 10.174 603 HG12 ILE 79 1HG1 ILE 79 0.122 -8.239 9.121 604 HG13 ILE 79 2HG1 ILE 79 1.755 -7.846 9.649 605 HG21 ILE 79 1HG2 ILE 79 -0.831 -10.705 10.091 606 HG22 ILE 79 2HG2 ILE 79 0.069 -10.822 8.580 607 HG23 ILE 79 3HG2 ILE 79 0.492 -11.861 9.940 608 HD11 ILE 79 1HD1 ILE 79 2.596 -8.426 7.687 609 HD12 ILE 79 2HD1 ILE 79 1.782 -9.990 7.729 610 HD13 ILE 79 3HD1 ILE 79 0.940 -8.574 7.099 611 H GLY 80 H GLY 80 1.442 -6.958 11.721 612 HA2 GLY 80 1HA GLY 80 3.032 -6.605 13.827 613 HA3 GLY 80 2HA GLY 80 4.114 -7.484 12.757 614 H ILE 81 H ILE 81 2.747 -6.158 10.407 615 HA ILE 81 HA ILE 81 4.589 -4.164 9.898 616 HB ILE 81 HB ILE 81 1.792 -4.448 8.798 617 HG12 ILE 81 1HG1 ILE 81 4.434 -5.197 7.538 618 HG13 ILE 81 2HG1 ILE 81 3.445 -6.333 8.449 619 HG21 ILE 81 1HG2 ILE 81 3.980 -2.530 8.190 620 HG22 ILE 81 2HG2 ILE 81 3.009 -3.144 6.853 621 HG23 ILE 81 3HG2 ILE 81 2.232 -2.292 8.187 622 HD11 ILE 81 1HD1 ILE 81 1.888 -6.501 6.809 623 HD12 ILE 81 2HD1 ILE 81 2.152 -4.855 6.232 624 HD13 ILE 81 3HD1 ILE 81 3.301 -6.129 5.822 625 H SER 82 H SER 82 4.902 -2.617 11.425 626 HA SER 82 HA SER 82 3.076 -1.348 13.027 627 HB2 SER 82 1HB SER 82 5.621 -0.287 11.793 628 HB3 SER 82 2HB SER 82 4.700 0.607 13.002 629 HG SER 82 HG SER 82 5.119 -0.965 14.487 630 H ARG 83 H ARG 83 2.693 1.177 12.819 631 HA ARG 83 HA ARG 83 1.299 1.556 10.258 632 HB2 ARG 83 1HB ARG 83 0.000 3.305 11.573 633 HB3 ARG 83 2HB ARG 83 -0.277 1.626 12.015 634 HG2 ARG 83 1HG ARG 83 1.814 3.109 13.503 635 HG3 ARG 83 2HG ARG 83 0.126 3.517 13.820 636 HD2 ARG 83 1HD ARG 83 -0.086 0.873 13.939 637 HD3 ARG 83 2HD ARG 83 1.618 1.010 14.369 638 HE ARG 83 HE ARG 83 0.998 1.855 16.401 639 HH11 ARG 83 1HH1 ARG 83 -1.712 2.032 14.223 640 HH12 ARG 83 2HH1 ARG 83 -2.832 2.525 15.449 641 HH21 ARG 83 1HH2 ARG 83 -0.468 2.504 18.024 642 HH22 ARG 83 2HH2 ARG 83 -2.124 2.794 17.610 643 H LEU 84 H LEU 84 3.382 2.234 9.338 644 HA LEU 84 HA LEU 84 4.867 4.424 10.198 645 HB2 LEU 84 1HB LEU 84 4.434 3.094 7.570 646 HB3 LEU 84 2HB LEU 84 5.279 4.640 7.604 647 HG LEU 84 HG LEU 84 6.587 2.359 7.671 648 HD11 LEU 84 1HD1 LEU 84 7.299 4.678 9.461 649 HD12 LEU 84 2HD1 LEU 84 7.568 4.609 7.720 650 HD13 LEU 84 3HD1 LEU 84 8.415 3.490 8.787 651 HD21 LEU 84 1HD2 LEU 84 5.367 1.528 9.653 652 HD22 LEU 84 2HD2 LEU 84 6.048 2.852 10.598 653 HD23 LEU 84 3HD2 LEU 84 7.109 1.622 9.909 654 H LEU 85 H LEU 85 2.230 4.347 7.802 655 HA LEU 85 HA LEU 85 2.008 7.266 8.044 656 HB2 LEU 85 1HB LEU 85 2.307 6.102 5.790 657 HB3 LEU 85 2HB LEU 85 0.646 5.550 5.990 658 HG LEU 85 HG LEU 85 -0.109 7.889 6.047 659 HD11 LEU 85 1HD1 LEU 85 1.438 9.368 6.707 660 HD12 LEU 85 2HD1 LEU 85 1.909 9.388 5.008 661 HD13 LEU 85 3HD1 LEU 85 2.779 8.366 6.151 662 HD21 LEU 85 1HD2 LEU 85 1.098 8.289 3.587 663 HD22 LEU 85 2HD2 LEU 85 -0.414 7.432 3.889 664 HD23 LEU 85 3HD2 LEU 85 1.103 6.537 3.788 665 H GLU 86 H GLU 86 -0.168 8.196 8.074 666 HA GLU 86 HA GLU 86 -2.029 6.489 9.590 667 HB2 GLU 86 1HB GLU 86 -1.671 9.490 9.658 668 HB3 GLU 86 2HB GLU 86 -2.911 8.609 10.541 669 HG2 GLU 86 1HG GLU 86 -1.208 9.034 12.092 670 HG3 GLU 86 2HG GLU 86 -1.033 7.336 11.651 671 HA PRO 87 HA PRO 87 -5.043 6.893 6.420 672 HB2 PRO 87 1HB PRO 87 -7.316 6.680 7.889 673 HB3 PRO 87 2HB PRO 87 -6.253 5.306 7.558 674 HG2 PRO 87 1HG PRO 87 -6.434 7.014 10.010 675 HG3 PRO 87 2HG PRO 87 -6.274 5.253 9.883 676 HD2 PRO 87 1HD PRO 87 -4.172 6.872 10.424 677 HD3 PRO 87 2HD PRO 87 -4.002 5.360 9.508 678 H SER 88 H SER 88 -5.801 8.772 9.355 679 HA SER 88 HA SER 88 -7.480 10.638 8.073 680 HB2 SER 88 1HB SER 88 -7.270 11.964 10.107 681 HB3 SER 88 2HB SER 88 -7.444 10.260 10.526 682 HG SER 88 HG SER 88 -5.003 11.707 10.408 683 H ASP 89 H ASP 89 -4.038 10.764 8.928 684 HA ASP 89 HA ASP 89 -3.373 13.316 8.247 685 HB2 ASP 89 1HB ASP 89 -1.920 10.716 8.009 686 HB3 ASP 89 2HB ASP 89 -1.193 12.155 7.298 687 H MET 90 H MET 90 -3.541 10.567 5.988 688 HA MET 90 HA MET 90 -2.836 11.831 3.653 689 HB2 MET 90 1HB MET 90 -4.921 9.687 4.078 690 HB3 MET 90 2HB MET 90 -4.305 10.160 2.501 691 HG2 MET 90 1HG MET 90 -2.429 9.286 4.655 692 HG3 MET 90 2HG MET 90 -3.310 8.099 3.695 693 HE1 MET 90 1HE MET 90 -0.649 7.371 1.384 694 HE2 MET 90 2HE MET 90 -1.838 6.892 2.595 695 HE3 MET 90 3HE MET 90 -2.370 7.449 1.007 696 H VAL 91 H VAL 91 -5.827 12.064 5.433 697 HA VAL 91 HA VAL 91 -7.189 13.476 3.295 698 HB VAL 91 HB VAL 91 -8.189 13.239 6.120 699 HG11 VAL 91 1HG1 VAL 91 -9.419 14.705 4.611 700 HG12 VAL 91 2HG1 VAL 91 -9.586 13.386 3.450 701 HG13 VAL 91 3HG1 VAL 91 -10.376 13.283 5.024 702 HG21 VAL 91 1HG2 VAL 91 -7.557 11.073 4.380 703 HG22 VAL 91 2HG2 VAL 91 -8.308 11.026 5.975 704 HG23 VAL 91 3HG2 VAL 91 -9.311 11.185 4.534 705 H LEU 92 H LEU 92 -5.861 14.191 6.503 706 HA LEU 92 HA LEU 92 -6.640 16.792 6.850 707 HB2 LEU 92 1HB LEU 92 -3.966 15.551 7.475 708 HB3 LEU 92 2HB LEU 92 -4.505 17.113 8.089 709 HG LEU 92 HG LEU 92 -5.947 14.528 8.651 710 HD11 LEU 92 1HD1 LEU 92 -4.477 15.695 10.862 711 HD12 LEU 92 2HD1 LEU 92 -3.417 15.169 9.555 712 HD13 LEU 92 3HD1 LEU 92 -4.536 14.026 10.297 713 HD21 LEU 92 1HD2 LEU 92 -6.710 15.992 10.625 714 HD22 LEU 92 2HD2 LEU 92 -7.423 16.285 9.039 715 HD23 LEU 92 3HD2 LEU 92 -6.153 17.348 9.645 716 H LEU 93 H LEU 93 -3.842 15.640 4.991 717 HA LEU 93 HA LEU 93 -3.496 18.349 3.913 718 HB2 LEU 93 1HB LEU 93 -1.315 17.441 3.070 719 HB3 LEU 93 2HB LEU 93 -1.475 17.537 4.823 720 HG LEU 93 HG LEU 93 -1.949 15.101 4.863 721 HD11 LEU 93 1HD1 LEU 93 -2.793 14.549 2.777 722 HD12 LEU 93 2HD1 LEU 93 -1.154 13.901 2.719 723 HD13 LEU 93 3HD1 LEU 93 -1.527 15.428 1.918 724 HD21 LEU 93 1HD2 LEU 93 0.228 14.776 5.194 725 HD22 LEU 93 2HD2 LEU 93 0.477 16.419 4.602 726 HD23 LEU 93 3HD2 LEU 93 0.601 15.052 3.493 727 H ALA 94 H ALA 94 -2.776 18.411 1.573 728 HA ALA 94 HA ALA 94 -4.741 17.004 -0.006 729 HB1 ALA 94 1HB ALA 94 -4.504 18.663 -1.498 730 HB2 ALA 94 2HB ALA 94 -3.652 19.484 -0.189 731 HB3 ALA 94 3HB ALA 94 -2.742 18.615 -1.424 732 H ILE 95 H ILE 95 -1.188 17.254 0.011 733 HA ILE 95 HA ILE 95 -1.099 14.654 -1.373 734 HB ILE 95 HB ILE 95 0.804 16.972 -1.729 735 HG12 ILE 95 1HG1 ILE 95 -1.350 17.229 -2.909 736 HG13 ILE 95 2HG1 ILE 95 -0.010 17.013 -4.031 737 HG21 ILE 95 1HG2 ILE 95 1.842 15.505 -3.461 738 HG22 ILE 95 2HG2 ILE 95 2.057 14.939 -1.805 739 HG23 ILE 95 3HG2 ILE 95 0.858 14.176 -2.848 740 HD11 ILE 95 1HD1 ILE 95 -0.630 14.654 -4.283 741 HD12 ILE 95 2HD1 ILE 95 -2.001 14.915 -3.204 742 HD13 ILE 95 3HD1 ILE 95 -1.929 15.748 -4.756 743 HA PRO 96 HA PRO 96 1.135 13.419 2.258 744 HB2 PRO 96 1HB PRO 96 1.825 10.948 1.369 745 HB3 PRO 96 2HB PRO 96 0.197 11.347 1.931 746 HG2 PRO 96 1HG PRO 96 1.244 11.169 -0.867 747 HG3 PRO 96 2HG PRO 96 -0.290 10.574 -0.207 748 HD2 PRO 96 1HD PRO 96 -0.106 12.882 -1.611 749 HD3 PRO 96 2HD PRO 96 -1.282 12.653 -0.301 750 H ASP 97 H ASP 97 3.320 12.406 2.717 751 HA ASP 97 HA ASP 97 5.309 13.745 1.061 752 HB2 ASP 97 1HB ASP 97 5.298 12.593 3.829 753 HB3 ASP 97 2HB ASP 97 6.830 12.868 3.003 754 H LYS 98 H LYS 98 5.584 12.473 -0.732 755 HA LYS 98 HA LYS 98 5.556 9.844 -1.161 756 HB2 LYS 98 1HB LYS 98 6.180 11.292 -2.949 757 HB3 LYS 98 2HB LYS 98 7.634 11.814 -2.110 758 HG2 LYS 98 1HG LYS 98 7.352 8.930 -2.755 759 HG3 LYS 98 2HG LYS 98 7.715 10.053 -4.067 760 HD2 LYS 98 1HD LYS 98 9.522 10.926 -2.349 761 HD3 LYS 98 2HD LYS 98 9.354 9.293 -1.700 762 HE2 LYS 98 1HE LYS 98 9.984 8.319 -3.779 763 HE3 LYS 98 2HE LYS 98 9.876 9.870 -4.609 764 HZ1 LYS 98 1HZ LYS 98 11.672 10.450 -2.747 765 HZ2 LYS 98 2HZ LYS 98 12.089 9.845 -4.271 766 HZ3 LYS 98 3HZ LYS 98 12.004 8.802 -2.942 767 H LEU 99 H LEU 99 8.277 11.532 0.368 768 HA LEU 99 HA LEU 99 10.029 9.407 0.652 769 HB2 LEU 99 1HB LEU 99 9.551 11.655 2.603 770 HB3 LEU 99 2HB LEU 99 10.985 10.633 2.539 771 HG LEU 99 HG LEU 99 10.162 12.377 0.232 772 HD11 LEU 99 1HD1 LEU 99 10.461 14.046 1.763 773 HD12 LEU 99 2HD1 LEU 99 12.127 13.807 1.238 774 HD13 LEU 99 3HD1 LEU 99 11.569 13.096 2.752 775 HD21 LEU 99 1HD2 LEU 99 12.822 11.216 1.054 776 HD22 LEU 99 2HD2 LEU 99 12.485 12.145 -0.407 777 HD23 LEU 99 3HD2 LEU 99 11.762 10.551 -0.190 778 H THR 100 H THR 100 7.486 10.473 2.898 779 HA THR 100 HA THR 100 7.928 8.447 4.816 780 HB THR 100 HB THR 100 5.418 10.037 4.253 781 HG1 THR 100 1HG THR 100 7.769 10.520 5.668 782 HG21 THR 100 1HG2 THR 100 4.928 7.996 5.517 783 HG22 THR 100 2HG2 THR 100 4.748 9.429 6.530 784 HG23 THR 100 3HG2 THR 100 6.182 8.414 6.684 785 H VAL 101 H VAL 101 5.362 8.758 2.354 786 HA VAL 101 HA VAL 101 4.037 6.397 2.718 787 HB VAL 101 HB VAL 101 4.707 7.656 0.054 788 HG11 VAL 101 1HG1 VAL 101 2.232 6.078 0.519 789 HG12 VAL 101 2HG1 VAL 101 3.163 6.314 -0.961 790 HG13 VAL 101 3HG1 VAL 101 3.744 5.203 0.279 791 HG21 VAL 101 1HG2 VAL 101 2.859 8.363 2.215 792 HG22 VAL 101 2HG2 VAL 101 3.500 9.350 0.901 793 HG23 VAL 101 3HG2 VAL 101 2.117 8.294 0.617 794 H MET 102 H MET 102 6.615 6.793 0.278 795 HA MET 102 HA MET 102 6.964 4.238 -0.529 796 HB2 MET 102 1HB MET 102 8.849 6.504 -0.138 797 HB3 MET 102 2HB MET 102 9.547 4.921 -0.449 798 HG2 MET 102 1HG MET 102 7.811 4.901 -2.418 799 HG3 MET 102 2HG MET 102 7.897 6.649 -2.214 800 HE1 MET 102 1HE MET 102 10.380 4.550 -5.028 801 HE2 MET 102 2HE MET 102 9.344 3.639 -3.929 802 HE3 MET 102 3HE MET 102 8.675 4.973 -4.871 803 H THR 103 H THR 103 8.531 5.658 2.336 804 HA THR 103 HA THR 103 9.997 3.530 3.229 805 HB THR 103 HB THR 103 8.376 5.378 4.992 806 HG1 THR 103 1HG THR 103 9.690 6.655 3.762 807 HG21 THR 103 1HG2 THR 103 10.985 4.055 5.679 808 HG22 THR 103 2HG2 THR 103 9.439 3.269 5.998 809 HG23 THR 103 3HG2 THR 103 9.816 4.815 6.757 810 H TYR 104 H TYR 104 6.594 4.190 4.068 811 HA TYR 104 HA TYR 104 6.143 1.938 5.632 812 HB2 TYR 104 1HB TYR 104 4.578 3.845 5.439 813 HB3 TYR 104 2HB TYR 104 4.161 3.322 3.811 814 HD1 TYR 104 2HD TYR 104 4.682 1.158 6.780 815 HD2 TYR 104 1HD TYR 104 1.873 2.828 4.056 816 HE1 TYR 104 2HE TYR 104 2.929 -0.301 7.702 817 HE2 TYR 104 1HE TYR 104 0.112 1.375 4.971 818 HH TYR 104 HH TYR 104 0.819 -0.974 7.538 819 H LEU 105 H LEU 105 5.254 2.346 2.198 820 HA LEU 105 HA LEU 105 4.357 -0.154 1.613 821 HB2 LEU 105 1HB LEU 105 6.032 1.719 -0.034 822 HB3 LEU 105 2HB LEU 105 5.386 0.215 -0.687 823 HG LEU 105 HG LEU 105 3.582 2.282 0.529 824 HD11 LEU 105 1HD1 LEU 105 5.148 2.549 -1.876 825 HD12 LEU 105 2HD1 LEU 105 4.076 3.711 -1.095 826 HD13 LEU 105 3HD1 LEU 105 3.422 2.538 -2.238 827 HD21 LEU 105 1HD2 LEU 105 2.997 0.389 -1.718 828 HD22 LEU 105 2HD2 LEU 105 1.877 1.178 -0.607 829 HD23 LEU 105 3HD2 LEU 105 2.907 -0.136 -0.037 830 H TYR 106 H TYR 106 7.761 0.866 1.298 831 HA TYR 106 HA TYR 106 8.956 -1.436 0.522 832 HB2 TYR 106 1HB TYR 106 9.862 0.653 2.487 833 HB3 TYR 106 2HB TYR 106 10.891 -0.717 2.084 834 HD1 TYR 106 2HD TYR 106 10.607 -1.087 -0.737 835 HD2 TYR 106 1HD TYR 106 10.671 2.555 1.462 836 HE1 TYR 106 2HE TYR 106 11.409 0.100 -2.736 837 HE2 TYR 106 1HE TYR 106 11.472 3.752 -0.531 838 HH TYR 106 HH TYR 106 11.495 2.317 -3.650 839 H GLN 107 H GLN 107 7.698 -0.719 3.720 840 HA GLN 107 HA GLN 107 8.828 -2.911 5.084 841 HB2 GLN 107 1HB GLN 107 6.206 -1.531 5.681 842 HB3 GLN 107 2HB GLN 107 7.168 -2.485 6.802 843 HG2 GLN 107 1HG GLN 107 8.318 -0.054 5.498 844 HG3 GLN 107 2HG GLN 107 7.279 0.085 6.916 845 HE21 GLN 107 1HE2 GLN 107 10.249 0.479 6.315 846 HE22 GLN 107 2HE2 GLN 107 11.037 -0.353 7.607 847 H ILE 108 H ILE 108 5.630 -2.500 3.577 848 HA ILE 108 HA ILE 108 4.675 -5.080 4.149 849 HB ILE 108 HB ILE 108 3.936 -3.162 1.941 850 HG12 ILE 108 1HG1 ILE 108 1.806 -3.160 3.495 851 HG13 ILE 108 2HG1 ILE 108 2.948 -3.724 4.710 852 HG21 ILE 108 1HG2 ILE 108 3.407 -5.436 1.246 853 HG22 ILE 108 2HG2 ILE 108 2.549 -5.711 2.761 854 HG23 ILE 108 3HG2 ILE 108 1.936 -4.532 1.602 855 HD11 ILE 108 1HD1 ILE 108 2.424 -1.157 4.320 856 HD12 ILE 108 2HD1 ILE 108 4.014 -1.731 4.826 857 HD13 ILE 108 3HD1 ILE 108 3.714 -1.343 3.132 858 H ARG 109 H ARG 109 5.930 -3.806 1.057 859 HA ARG 109 HA ARG 109 5.938 -6.102 -0.427 860 HB2 ARG 109 1HB ARG 109 6.551 -4.032 -1.451 861 HB3 ARG 109 2HB ARG 109 7.937 -3.844 -0.385 862 HG2 ARG 109 1HG ARG 109 8.661 -6.124 -1.502 863 HG3 ARG 109 2HG ARG 109 7.610 -5.542 -2.795 864 HD2 ARG 109 1HD ARG 109 8.966 -3.767 -3.286 865 HD3 ARG 109 2HD ARG 109 9.589 -3.651 -1.641 866 HE ARG 109 HE ARG 109 11.311 -5.002 -2.268 867 HH11 ARG 109 1HH1 ARG 109 8.675 -5.469 -4.493 868 HH12 ARG 109 2HH1 ARG 109 9.567 -6.530 -5.531 869 HH21 ARG 109 1HH2 ARG 109 12.497 -6.399 -3.627 870 HH22 ARG 109 2HH2 ARG 109 11.741 -7.059 -5.037 871 H ALA 110 H ALA 110 8.244 -5.134 2.044 872 HA ALA 110 HA ALA 110 10.077 -7.274 1.531 873 HB1 ALA 110 1HB ALA 110 11.105 -5.460 2.529 874 HB2 ALA 110 2HB ALA 110 9.791 -5.216 3.681 875 HB3 ALA 110 3HB ALA 110 10.904 -6.569 3.886 876 H HIS 111 H HIS 111 7.473 -6.696 3.856 877 HA HIS 111 HA HIS 111 7.810 -8.851 5.544 878 HB2 HIS 111 1HB HIS 111 6.034 -6.934 5.538 879 HB3 HIS 111 2HB HIS 111 5.057 -8.084 4.630 880 HD1 HIS 111 1HD HIS 111 6.124 -7.218 8.028 881 HD2 HIS 111 2HD HIS 111 4.448 -10.497 6.105 882 HE1 HIS 111 1HE HIS 111 5.219 -8.682 9.861 883 HE2 HIS 111 2HE HIS 111 4.285 -10.700 8.678 884 H PHE 112 H PHE 112 5.772 -8.774 2.616 885 HA PHE 112 HA PHE 112 5.372 -11.617 2.680 886 HB2 PHE 112 1HB PHE 112 4.699 -9.535 0.594 887 HB3 PHE 112 2HB PHE 112 4.242 -11.231 0.478 888 HD1 PHE 112 1HD PHE 112 2.683 -12.195 2.171 889 HD2 PHE 112 2HD PHE 112 3.461 -8.019 1.900 890 HE1 PHE 112 1HE PHE 112 0.641 -11.734 3.463 891 HE2 PHE 112 2HE PHE 112 1.421 -7.551 3.193 892 HZ PHE 112 HZ PHE 112 0.008 -9.410 3.977 893 H SER 113 H SER 113 7.139 -9.383 0.550 894 HA SER 113 HA SER 113 8.639 -11.692 -0.496 895 HB2 SER 113 1HB SER 113 7.284 -10.241 -2.107 896 HB3 SER 113 2HB SER 113 8.473 -8.975 -1.801 897 HG SER 113 HG SER 113 10.065 -10.653 -2.425 898 H SER 114 H SER 114 10.163 -11.744 1.177 899 HA SER 114 HA SER 114 11.597 -9.556 2.160 900 HB2 SER 114 1HB SER 114 12.223 -12.500 2.015 901 HB3 SER 114 2HB SER 114 13.351 -11.352 2.734 902 HG SER 114 HG SER 114 12.185 -11.663 4.458 903 H GLY 115 H GLY 115 13.887 -9.047 1.825 904 HA2 GLY 115 1HA GLY 115 14.453 -8.819 -1.005 905 HA3 GLY 115 2HA GLY 115 15.363 -8.083 0.305 906 HA PRO 116 HA PRO 116 18.031 -11.413 -1.400 907 HB2 PRO 116 1HB PRO 116 20.336 -10.010 -1.102 908 HB3 PRO 116 2HB PRO 116 19.288 -9.847 -2.516 909 HG2 PRO 116 1HG PRO 116 19.492 -8.095 -0.098 910 HG3 PRO 116 2HG PRO 116 19.356 -7.634 -1.805 911 HD2 PRO 116 1HD PRO 116 17.241 -7.602 -0.114 912 HD3 PRO 116 2HD PRO 116 17.076 -7.968 -1.844 913 H SER 117 H SER 117 19.172 -12.905 -0.254 914 HA SER 117 HA SER 117 19.218 -12.600 2.626 915 HB2 SER 117 1HB SER 117 18.451 -14.718 1.682 916 HB3 SER 117 2HB SER 117 19.997 -14.935 0.862 917 HG SER 117 HG SER 117 20.521 -14.517 3.414 918 H SER 118 H SER 118 21.596 -13.383 0.091 919 HA SER 118 HA SER 118 23.852 -13.332 1.766 920 HB2 SER 118 1HB SER 118 23.610 -12.845 -1.211 921 HB3 SER 118 2HB SER 118 25.141 -13.053 -0.362 922 HG SER 118 HG SER 118 23.095 -14.926 -0.829 923 H GLY 119 H GLY 119 25.656 -11.734 1.594 924 HA2 GLY 119 1HA GLY 119 26.493 -9.569 1.568 925 HA3 GLY 119 2HA GLY 119 24.965 -9.020 0.894 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.724 -12.490 -22.763 2 HA2 GLY 1 1HA GLY 1 13.076 -10.903 -22.544 3 HA3 GLY 1 2HA GLY 1 12.284 -11.787 -23.839 4 H SER 2 H SER 2 12.615 -11.531 -20.340 5 HA SER 2 HA SER 2 9.837 -12.306 -20.034 6 HB2 SER 2 1HB SER 2 12.121 -14.003 -19.142 7 HB3 SER 2 2HB SER 2 10.726 -13.875 -18.072 8 HG SER 2 HG SER 2 10.639 -14.635 -20.807 9 H SER 3 H SER 3 8.879 -11.293 -18.356 10 HA SER 3 HA SER 3 10.402 -9.299 -16.946 11 HB2 SER 3 1HB SER 3 7.493 -10.034 -17.084 12 HB3 SER 3 2HB SER 3 8.070 -8.927 -15.839 13 HG SER 3 HG SER 3 7.905 -7.471 -17.339 14 H GLY 4 H GLY 4 11.243 -9.441 -14.967 15 HA2 GLY 4 1HA GLY 4 10.463 -10.331 -12.638 16 HA3 GLY 4 2HA GLY 4 10.719 -11.882 -13.425 17 H SER 5 H SER 5 12.054 -10.397 -11.129 18 HA SER 5 HA SER 5 14.741 -11.194 -11.814 19 HB2 SER 5 1HB SER 5 13.986 -8.313 -11.446 20 HB3 SER 5 2HB SER 5 15.583 -8.874 -10.950 21 HG SER 5 HG SER 5 14.500 -9.317 -13.532 22 H SER 6 H SER 6 16.107 -11.412 -9.991 23 HA SER 6 HA SER 6 14.625 -11.524 -7.456 24 HB2 SER 6 1HB SER 6 17.124 -12.987 -8.339 25 HB3 SER 6 2HB SER 6 16.391 -13.129 -6.741 26 HG SER 6 HG SER 6 15.638 -14.801 -8.015 27 H GLY 7 H GLY 7 15.850 -11.052 -5.468 28 HA2 GLY 7 1HA GLY 7 17.293 -9.785 -4.186 29 HA3 GLY 7 2HA GLY 7 18.267 -9.521 -5.624 30 HA PRO 8 HA PRO 8 15.885 -5.639 -4.347 31 HB2 PRO 8 1HB PRO 8 18.033 -4.149 -3.614 32 HB3 PRO 8 2HB PRO 8 17.146 -5.177 -2.482 33 HG2 PRO 8 1HG PRO 8 19.713 -5.720 -3.924 34 HG3 PRO 8 2HG PRO 8 19.286 -6.053 -2.235 35 HD2 PRO 8 1HD PRO 8 19.253 -7.966 -4.151 36 HD3 PRO 8 2HD PRO 8 18.132 -7.974 -2.774 37 H ASN 9 H ASN 9 15.579 -4.004 -5.776 38 HA ASN 9 HA ASN 9 17.677 -3.380 -7.713 39 HB2 ASN 9 1HB ASN 9 14.864 -3.842 -8.678 40 HB3 ASN 9 2HB ASN 9 16.350 -3.755 -9.619 41 HD21 ASN 9 1HD2 ASN 9 17.985 -5.485 -9.030 42 HD22 ASN 9 2HD2 ASN 9 17.361 -7.082 -8.813 43 H ALA 10 H ALA 10 16.682 -1.556 -9.252 44 HA ALA 10 HA ALA 10 16.496 0.767 -7.834 45 HB1 ALA 10 1HB ALA 10 16.594 0.233 -10.436 46 HB2 ALA 10 2HB ALA 10 14.885 0.653 -10.318 47 HB3 ALA 10 3HB ALA 10 16.115 1.812 -9.814 48 H SER 11 H SER 11 14.718 2.251 -7.448 49 HA SER 11 HA SER 11 12.768 1.391 -5.802 50 HB2 SER 11 1HB SER 11 12.814 3.719 -7.700 51 HB3 SER 11 2HB SER 11 11.400 3.424 -6.689 52 HG SER 11 HG SER 11 13.879 4.382 -6.009 53 H GLN 12 H GLN 12 12.648 1.354 -9.310 54 HA GLN 12 HA GLN 12 10.039 0.957 -9.906 55 HB2 GLN 12 1HB GLN 12 11.709 0.929 -11.636 56 HB3 GLN 12 2HB GLN 12 12.424 -0.543 -10.991 57 HG2 GLN 12 1HG GLN 12 10.133 -1.609 -11.456 58 HG3 GLN 12 2HG GLN 12 9.847 -0.195 -12.469 59 HE21 GLN 12 1HE2 GLN 12 10.971 -3.295 -12.435 60 HE22 GLN 12 2HE2 GLN 12 11.913 -3.272 -13.883 61 H SER 13 H SER 13 12.258 -1.555 -8.722 62 HA SER 13 HA SER 13 10.837 -3.817 -8.802 63 HB2 SER 13 1HB SER 13 11.914 -4.553 -6.774 64 HB3 SER 13 2HB SER 13 13.040 -3.506 -7.637 65 HG SER 13 HG SER 13 12.772 -1.960 -6.155 66 H LEU 14 H LEU 14 10.440 -1.470 -6.144 67 HA LEU 14 HA LEU 14 8.268 -2.722 -4.916 68 HB2 LEU 14 1HB LEU 14 9.426 -1.044 -3.724 69 HB3 LEU 14 2HB LEU 14 9.163 0.146 -4.997 70 HG LEU 14 HG LEU 14 6.702 0.030 -4.420 71 HD11 LEU 14 1HD1 LEU 14 7.843 -1.635 -2.207 72 HD12 LEU 14 2HD1 LEU 14 6.438 -1.948 -3.225 73 HD13 LEU 14 3HD1 LEU 14 6.364 -0.701 -1.981 74 HD21 LEU 14 1HD2 LEU 14 8.153 0.958 -2.005 75 HD22 LEU 14 2HD2 LEU 14 6.936 1.778 -2.983 76 HD23 LEU 14 3HD2 LEU 14 8.602 1.671 -3.554 77 H LEU 15 H LEU 15 8.143 0.187 -6.984 78 HA LEU 15 HA LEU 15 5.508 0.575 -7.287 79 HB2 LEU 15 1HB LEU 15 7.409 1.753 -8.469 80 HB3 LEU 15 2HB LEU 15 7.324 0.479 -9.684 81 HG LEU 15 HG LEU 15 4.779 1.265 -9.754 82 HD11 LEU 15 1HD1 LEU 15 6.252 3.801 -9.069 83 HD12 LEU 15 2HD1 LEU 15 5.172 2.950 -7.965 84 HD13 LEU 15 3HD1 LEU 15 4.542 3.627 -9.466 85 HD21 LEU 15 1HD2 LEU 15 5.330 2.557 -11.702 86 HD22 LEU 15 2HD2 LEU 15 6.419 1.171 -11.616 87 HD23 LEU 15 3HD2 LEU 15 6.989 2.772 -11.143 88 H VAL 16 H VAL 16 7.353 -1.997 -8.849 89 HA VAL 16 HA VAL 16 5.161 -2.981 -10.394 90 HB VAL 16 HB VAL 16 7.746 -4.337 -9.615 91 HG11 VAL 16 1HG1 VAL 16 7.291 -5.972 -11.277 92 HG12 VAL 16 2HG1 VAL 16 5.851 -5.862 -10.263 93 HG13 VAL 16 3HG1 VAL 16 5.875 -5.091 -11.850 94 HG21 VAL 16 1HG2 VAL 16 8.744 -3.163 -11.218 95 HG22 VAL 16 2HG2 VAL 16 7.494 -3.596 -12.384 96 HG23 VAL 16 3HG2 VAL 16 7.280 -2.188 -11.345 97 H TRP 17 H TRP 17 6.811 -4.208 -7.481 98 HA TRP 17 HA TRP 17 5.515 -6.452 -6.868 99 HB2 TRP 17 1HB TRP 17 7.147 -5.245 -5.392 100 HB3 TRP 17 2HB TRP 17 5.817 -4.231 -4.839 101 HD1 TRP 17 HD TRP 17 6.982 -7.907 -4.737 102 HE1 TRP 17 1HE TRP 17 5.901 -9.036 -2.692 103 HE3 TRP 17 3HE TRP 17 3.952 -4.084 -3.208 104 HZ2 TRP 17 2HZ TRP 17 4.013 -8.391 -0.695 105 HZ3 TRP 17 3HZ TRP 17 2.539 -4.422 -1.222 106 HH2 TRP 17 HH TRP 17 2.570 -6.531 0.007 107 H CYS 18 H CYS 18 4.126 -3.220 -6.439 108 HA CYS 18 HA CYS 18 1.654 -4.179 -5.380 109 HB2 CYS 18 1HB CYS 18 2.483 -1.913 -4.903 110 HB3 CYS 18 2HB CYS 18 2.330 -1.497 -6.606 111 HG CYS 18 HG CYS 18 -0.585 -2.391 -6.165 112 H LYS 19 H LYS 19 2.326 -2.494 -8.453 113 HA LYS 19 HA LYS 19 -0.020 -2.821 -9.754 114 HB2 LYS 19 1HB LYS 19 2.720 -3.224 -10.969 115 HB3 LYS 19 2HB LYS 19 1.250 -2.881 -11.871 116 HG2 LYS 19 1HG LYS 19 1.129 -0.695 -11.087 117 HG3 LYS 19 2HG LYS 19 2.211 -1.022 -9.731 118 HD2 LYS 19 1HD LYS 19 3.636 0.096 -11.137 119 HD3 LYS 19 2HD LYS 19 3.921 -1.567 -11.657 120 HE2 LYS 19 1HE LYS 19 1.815 0.106 -12.972 121 HE3 LYS 19 2HE LYS 19 3.507 0.266 -13.441 122 HZ1 LYS 19 1HZ LYS 19 1.664 -1.962 -13.857 123 HZ2 LYS 19 2HZ LYS 19 3.287 -2.345 -13.572 124 HZ3 LYS 19 3HZ LYS 19 2.869 -1.351 -14.875 125 H GLU 20 H GLU 20 2.424 -5.301 -9.246 126 HA GLU 20 HA GLU 20 1.324 -7.260 -10.950 127 HB2 GLU 20 1HB GLU 20 3.626 -7.123 -9.645 128 HB3 GLU 20 2HB GLU 20 2.740 -8.060 -8.449 129 HG2 GLU 20 1HG GLU 20 3.624 -9.754 -9.664 130 HG3 GLU 20 2HG GLU 20 2.125 -9.516 -10.562 131 H VAL 21 H VAL 21 1.251 -7.227 -7.383 132 HA VAL 21 HA VAL 21 -0.681 -9.189 -7.059 133 HB VAL 21 HB VAL 21 -0.945 -8.461 -4.818 134 HG11 VAL 21 1HG1 VAL 21 1.727 -7.447 -4.795 135 HG12 VAL 21 2HG1 VAL 21 1.141 -9.045 -4.329 136 HG13 VAL 21 3HG1 VAL 21 1.600 -8.725 -6.002 137 HG21 VAL 21 1HG2 VAL 21 -0.406 -6.276 -4.004 138 HG22 VAL 21 2HG2 VAL 21 0.275 -5.806 -5.561 139 HG23 VAL 21 3HG2 VAL 21 -1.459 -6.089 -5.406 140 H THR 22 H THR 22 -1.037 -5.975 -8.174 141 HA THR 22 HA THR 22 -3.953 -6.094 -7.777 142 HB THR 22 HB THR 22 -4.020 -3.695 -8.048 143 HG1 THR 22 1HG THR 22 -1.242 -3.967 -8.603 144 HG21 THR 22 1HG2 THR 22 -1.680 -4.088 -6.224 145 HG22 THR 22 2HG2 THR 22 -3.231 -4.834 -5.839 146 HG23 THR 22 3HG2 THR 22 -3.112 -3.083 -6.006 147 H LYS 23 H LYS 23 -2.307 -7.394 -9.909 148 HA LYS 23 HA LYS 23 -2.490 -6.100 -12.357 149 HB2 LYS 23 1HB LYS 23 -2.415 -8.954 -11.501 150 HB3 LYS 23 2HB LYS 23 -2.841 -8.607 -13.172 151 HG2 LYS 23 1HG LYS 23 -0.416 -7.325 -12.019 152 HG3 LYS 23 2HG LYS 23 -0.354 -9.032 -12.466 153 HD2 LYS 23 1HD LYS 23 -1.379 -6.940 -14.362 154 HD3 LYS 23 2HD LYS 23 0.343 -7.307 -14.230 155 HE2 LYS 23 1HE LYS 23 -0.135 -9.659 -14.751 156 HE3 LYS 23 2HE LYS 23 -1.847 -9.268 -14.911 157 HZ1 LYS 23 1HZ LYS 23 0.393 -8.402 -16.641 158 HZ2 LYS 23 2HZ LYS 23 -1.114 -7.634 -16.674 159 HZ3 LYS 23 3HZ LYS 23 -0.991 -9.273 -17.076 160 H ASN 24 H ASN 24 -4.170 -5.358 -13.460 161 HA ASN 24 HA ASN 24 -6.317 -4.961 -14.116 162 HB2 ASN 24 1HB ASN 24 -7.605 -7.295 -14.399 163 HB3 ASN 24 2HB ASN 24 -6.361 -6.758 -15.525 164 HD21 ASN 24 1HD2 ASN 24 -4.254 -7.632 -15.334 165 HD22 ASN 24 2HD2 ASN 24 -3.999 -9.165 -14.580 166 H TYR 25 H TYR 25 -6.207 -4.322 -11.583 167 HA TYR 25 HA TYR 25 -8.254 -5.783 -10.099 168 HB2 TYR 25 1HB TYR 25 -6.099 -3.869 -9.405 169 HB3 TYR 25 2HB TYR 25 -7.558 -3.790 -8.424 170 HD1 TYR 25 2HD TYR 25 -5.909 -6.759 -9.954 171 HD2 TYR 25 1HD TYR 25 -6.937 -4.706 -6.372 172 HE1 TYR 25 2HE TYR 25 -5.119 -8.678 -8.634 173 HE2 TYR 25 1HE TYR 25 -6.148 -6.619 -5.042 174 HH TYR 25 HH TYR 25 -5.236 -8.638 -5.082 175 H ARG 26 H ARG 26 -9.523 -3.995 -8.619 176 HA ARG 26 HA ARG 26 -11.244 -2.678 -10.521 177 HB2 ARG 26 1HB ARG 26 -11.943 -3.934 -8.377 178 HB3 ARG 26 2HB ARG 26 -11.478 -2.464 -7.531 179 HG2 ARG 26 1HG ARG 26 -13.709 -2.090 -7.833 180 HG3 ARG 26 2HG ARG 26 -13.058 -1.327 -9.285 181 HD2 ARG 26 1HD ARG 26 -13.710 -3.101 -10.654 182 HD3 ARG 26 2HD ARG 26 -13.887 -4.206 -9.292 183 HE ARG 26 HE ARG 26 -16.022 -3.438 -8.990 184 HH11 ARG 26 1HH1 ARG 26 -14.296 -1.234 -11.059 185 HH12 ARG 26 2HH1 ARG 26 -15.700 -0.298 -11.452 186 HH21 ARG 26 1HH2 ARG 26 -17.878 -2.214 -9.501 187 HH22 ARG 26 2HH2 ARG 26 -17.737 -0.856 -10.565 188 H GLY 27 H GLY 27 -9.814 -1.071 -11.350 189 HA2 GLY 27 1HA GLY 27 -9.071 1.098 -11.490 190 HA3 GLY 27 2HA GLY 27 -10.048 1.438 -10.069 191 H VAL 28 H VAL 28 -7.053 -0.330 -10.867 192 HA VAL 28 HA VAL 28 -5.800 0.969 -8.536 193 HB VAL 28 HB VAL 28 -5.292 -1.838 -9.533 194 HG11 VAL 28 1HG1 VAL 28 -3.244 -1.352 -8.689 195 HG12 VAL 28 2HG1 VAL 28 -3.855 -0.064 -7.649 196 HG13 VAL 28 3HG1 VAL 28 -4.049 -1.751 -7.171 197 HG21 VAL 28 1HG2 VAL 28 -6.202 -2.513 -7.338 198 HG22 VAL 28 2HG2 VAL 28 -6.618 -0.830 -7.017 199 HG23 VAL 28 3HG2 VAL 28 -7.395 -1.692 -8.345 200 H LYS 29 H LYS 29 -4.953 2.610 -9.876 201 HA LYS 29 HA LYS 29 -2.868 1.719 -11.757 202 HB2 LYS 29 1HB LYS 29 -4.547 3.008 -12.901 203 HB3 LYS 29 2HB LYS 29 -4.480 4.272 -11.679 204 HG2 LYS 29 1HG LYS 29 -3.318 5.066 -13.585 205 HG3 LYS 29 2HG LYS 29 -2.108 4.683 -12.359 206 HD2 LYS 29 1HD LYS 29 -2.138 2.339 -13.597 207 HD3 LYS 29 2HD LYS 29 -2.697 3.335 -14.943 208 HE2 LYS 29 1HE LYS 29 -0.435 3.449 -15.267 209 HE3 LYS 29 2HE LYS 29 -0.671 4.853 -14.226 210 HZ1 LYS 29 1HZ LYS 29 0.527 2.248 -13.586 211 HZ2 LYS 29 2HZ LYS 29 -0.222 3.132 -12.354 212 HZ3 LYS 29 3HZ LYS 29 1.075 3.803 -13.207 213 H ILE 30 H ILE 30 -1.061 1.612 -10.530 214 HA ILE 30 HA ILE 30 -0.453 3.664 -8.581 215 HB ILE 30 HB ILE 30 1.153 1.273 -9.489 216 HG12 ILE 30 1HG1 ILE 30 0.526 0.738 -6.945 217 HG13 ILE 30 2HG1 ILE 30 -0.852 1.759 -7.342 218 HG21 ILE 30 1HG2 ILE 30 1.958 3.582 -8.030 219 HG22 ILE 30 2HG2 ILE 30 1.966 2.194 -6.943 220 HG23 ILE 30 3HG2 ILE 30 2.899 2.148 -8.439 221 HD11 ILE 30 1HD1 ILE 30 -1.796 -0.118 -8.071 222 HD12 ILE 30 2HD1 ILE 30 -0.744 0.053 -9.477 223 HD13 ILE 30 3HD1 ILE 30 -0.256 -0.976 -8.131 224 H THR 31 H THR 31 -0.466 5.373 -10.269 225 HA THR 31 HA THR 31 1.762 5.432 -12.110 226 HB THR 31 HB THR 31 -0.216 6.460 -12.929 227 HG1 THR 31 1HG THR 31 1.314 8.697 -12.100 228 HG21 THR 31 1HG2 THR 31 -0.873 8.662 -11.498 229 HG22 THR 31 2HG2 THR 31 -0.363 7.577 -10.205 230 HG23 THR 31 3HG2 THR 31 -1.654 7.094 -11.305 231 H ASN 32 H ASN 32 0.979 6.686 -8.956 232 HA ASN 32 HA ASN 32 3.693 7.780 -8.767 233 HB2 ASN 32 1HB ASN 32 1.364 9.242 -7.542 234 HB3 ASN 32 2HB ASN 32 2.999 9.828 -7.831 235 HD21 ASN 32 1HD2 ASN 32 -0.152 9.607 -9.023 236 HD22 ASN 32 2HD2 ASN 32 0.130 10.281 -10.589 237 H PHE 33 H PHE 33 3.951 8.529 -6.293 238 HA PHE 33 HA PHE 33 2.972 6.287 -4.650 239 HB2 PHE 33 1HB PHE 33 5.697 7.455 -4.952 240 HB3 PHE 33 2HB PHE 33 5.221 6.885 -3.355 241 HD1 PHE 33 2HD PHE 33 3.836 4.492 -3.644 242 HD2 PHE 33 1HD PHE 33 7.003 5.961 -6.080 243 HE1 PHE 33 2HE PHE 33 4.395 2.188 -4.300 244 HE2 PHE 33 1HE PHE 33 7.566 3.659 -6.741 245 HZ PHE 33 HZ PHE 33 6.262 1.769 -5.850 246 H THR 34 H THR 34 1.941 9.063 -5.052 247 HA THR 34 HA THR 34 1.993 9.883 -2.223 248 HB THR 34 HB THR 34 1.614 12.250 -3.086 249 HG1 THR 34 1HG THR 34 1.469 12.416 -5.184 250 HG21 THR 34 1HG2 THR 34 4.294 11.729 -4.037 251 HG22 THR 34 2HG2 THR 34 3.953 10.818 -2.566 252 HG23 THR 34 3HG2 THR 34 3.764 12.571 -2.581 253 H THR 35 H THR 35 0.200 10.598 -5.227 254 HA THR 35 HA THR 35 -2.267 10.894 -3.756 255 HB THR 35 HB THR 35 -3.292 11.359 -5.939 256 HG1 THR 35 1HG THR 35 -0.742 11.128 -7.138 257 HG21 THR 35 1HG2 THR 35 -2.571 13.406 -5.369 258 HG22 THR 35 2HG2 THR 35 -1.291 13.146 -6.555 259 HG23 THR 35 3HG2 THR 35 -0.999 12.801 -4.850 260 H SER 36 H SER 36 -1.059 8.693 -6.283 261 HA SER 36 HA SER 36 -3.183 7.049 -6.663 262 HB2 SER 36 1HB SER 36 -1.266 6.558 -7.929 263 HB3 SER 36 2HB SER 36 -0.242 6.429 -6.499 264 HG SER 36 HG SER 36 -2.388 4.655 -6.771 265 H TRP 37 H TRP 37 -1.212 7.277 -3.806 266 HA TRP 37 HA TRP 37 -2.610 4.986 -2.612 267 HB2 TRP 37 1HB TRP 37 -0.210 6.481 -1.538 268 HB3 TRP 37 2HB TRP 37 -0.874 4.968 -0.925 269 HD1 TRP 37 HD TRP 37 1.027 6.355 -3.980 270 HE1 TRP 37 1HE TRP 37 2.287 4.408 -5.096 271 HE3 TRP 37 3HE TRP 37 -0.791 2.494 -1.165 272 HZ2 TRP 37 2HZ TRP 37 2.483 1.605 -4.820 273 HZ3 TRP 37 3HZ TRP 37 -0.017 0.210 -1.656 274 HH2 TRP 37 HH TRP 37 1.586 -0.223 -3.446 275 H ARG 38 H ARG 38 -2.235 8.430 -2.435 276 HA ARG 38 HA ARG 38 -2.928 9.223 0.020 277 HB2 ARG 38 1HB ARG 38 -2.791 10.937 -1.552 278 HB3 ARG 38 2HB ARG 38 -3.923 10.157 -2.648 279 HG2 ARG 38 1HG ARG 38 -5.766 10.911 -1.503 280 HG3 ARG 38 2HG ARG 38 -4.882 11.087 0.015 281 HD2 ARG 38 1HD ARG 38 -3.632 12.981 -1.009 282 HD3 ARG 38 2HD ARG 38 -4.676 12.846 -2.424 283 HE ARG 38 HE ARG 38 -5.329 14.044 0.092 284 HH11 ARG 38 1HH1 ARG 38 -6.635 12.408 -2.690 285 HH12 ARG 38 2HH1 ARG 38 -8.215 13.099 -2.517 286 HH21 ARG 38 1HH2 ARG 38 -7.405 14.960 0.330 287 HH22 ARG 38 2HH2 ARG 38 -8.651 14.550 -0.800 288 H ASN 39 H ASN 39 -5.319 8.071 -2.359 289 HA ASN 39 HA ASN 39 -7.544 8.212 -0.650 290 HB2 ASN 39 1HB ASN 39 -8.394 6.345 -2.310 291 HB3 ASN 39 2HB ASN 39 -8.171 8.002 -2.861 292 HD21 ASN 39 1HD2 ASN 39 -7.998 7.107 -4.983 293 HD22 ASN 39 2HD2 ASN 39 -6.503 6.428 -5.518 294 H GLY 40 H GLY 40 -5.589 5.377 -1.595 295 HA2 GLY 40 1HA GLY 40 -4.841 3.878 0.199 296 HA3 GLY 40 2HA GLY 40 -6.411 4.119 0.950 297 H LEU 41 H LEU 41 -5.899 3.599 -2.488 298 HA LEU 41 HA LEU 41 -7.625 1.260 -2.355 299 HB2 LEU 41 1HB LEU 41 -6.517 2.876 -4.637 300 HB3 LEU 41 2HB LEU 41 -7.436 1.391 -4.874 301 HG LEU 41 HG LEU 41 -8.462 3.910 -3.567 302 HD11 LEU 41 1HD1 LEU 41 -9.952 3.903 -5.615 303 HD12 LEU 41 2HD1 LEU 41 -8.829 2.732 -6.307 304 HD13 LEU 41 3HD1 LEU 41 -8.264 4.345 -5.873 305 HD21 LEU 41 1HD2 LEU 41 -10.659 2.739 -3.758 306 HD22 LEU 41 2HD2 LEU 41 -9.548 2.019 -2.591 307 HD23 LEU 41 3HD2 LEU 41 -9.778 1.268 -4.171 308 H SER 42 H SER 42 -4.333 2.124 -3.289 309 HA SER 42 HA SER 42 -3.624 -0.459 -4.248 310 HB2 SER 42 1HB SER 42 -1.950 1.888 -3.335 311 HB3 SER 42 2HB SER 42 -1.266 0.412 -4.016 312 HG SER 42 HG SER 42 -3.298 1.701 -5.436 313 H PHE 43 H PHE 43 -3.733 1.014 -1.111 314 HA PHE 43 HA PHE 43 -1.999 -0.851 0.187 315 HB2 PHE 43 1HB PHE 43 -3.974 1.199 1.164 316 HB3 PHE 43 2HB PHE 43 -3.175 0.097 2.281 317 HD1 PHE 43 2HD PHE 43 -0.500 -0.061 1.710 318 HD2 PHE 43 1HD PHE 43 -3.051 3.282 1.054 319 HE1 PHE 43 2HE PHE 43 1.449 1.439 1.796 320 HE2 PHE 43 1HE PHE 43 -1.106 4.787 1.137 321 HZ PHE 43 HZ PHE 43 1.148 3.866 1.510 322 H CYS 44 H CYS 44 -5.522 -0.493 -0.058 323 HA CYS 44 HA CYS 44 -6.055 -2.852 1.476 324 HB2 CYS 44 1HB CYS 44 -7.773 -1.055 -0.229 325 HB3 CYS 44 2HB CYS 44 -8.411 -2.503 0.539 326 HG CYS 44 HG CYS 44 -7.689 0.479 1.871 327 H ALA 45 H ALA 45 -5.653 -2.098 -1.909 328 HA ALA 45 HA ALA 45 -6.795 -4.441 -2.991 329 HB1 ALA 45 1HB ALA 45 -4.594 -2.730 -4.143 330 HB2 ALA 45 2HB ALA 45 -5.602 -3.875 -5.029 331 HB3 ALA 45 3HB ALA 45 -6.323 -2.431 -4.319 332 H ILE 46 H ILE 46 -3.470 -3.640 -2.047 333 HA ILE 46 HA ILE 46 -2.226 -5.980 -2.920 334 HB ILE 46 HB ILE 46 -1.557 -4.152 -0.618 335 HG12 ILE 46 1HG1 ILE 46 -0.029 -4.491 -3.184 336 HG13 ILE 46 2HG1 ILE 46 -1.446 -3.448 -3.118 337 HG21 ILE 46 1HG2 ILE 46 -0.274 -6.675 -1.513 338 HG22 ILE 46 2HG2 ILE 46 0.771 -5.340 -1.030 339 HG23 ILE 46 3HG2 ILE 46 -0.414 -5.987 0.104 340 HD11 ILE 46 1HD1 ILE 46 1.237 -3.086 -1.939 341 HD12 ILE 46 2HD1 ILE 46 0.139 -1.908 -2.659 342 HD13 ILE 46 3HD1 ILE 46 -0.138 -2.483 -1.015 343 H LEU 47 H LEU 47 -3.182 -5.226 0.438 344 HA LEU 47 HA LEU 47 -2.755 -7.727 1.526 345 HB2 LEU 47 1HB LEU 47 -3.294 -5.642 2.772 346 HB3 LEU 47 2HB LEU 47 -4.976 -5.836 2.283 347 HG LEU 47 HG LEU 47 -5.029 -7.991 3.524 348 HD11 LEU 47 1HD1 LEU 47 -2.964 -8.856 3.826 349 HD12 LEU 47 2HD1 LEU 47 -3.051 -7.935 5.327 350 HD13 LEU 47 3HD1 LEU 47 -2.194 -7.273 3.936 351 HD21 LEU 47 1HD2 LEU 47 -5.291 -7.000 5.669 352 HD22 LEU 47 2HD2 LEU 47 -5.761 -5.787 4.478 353 HD23 LEU 47 3HD2 LEU 47 -4.187 -5.685 5.268 354 H HIS 48 H HIS 48 -5.248 -6.699 -0.609 355 HA HIS 48 HA HIS 48 -7.127 -8.764 0.033 356 HB2 HIS 48 1HB HIS 48 -7.701 -6.560 -1.057 357 HB3 HIS 48 2HB HIS 48 -6.960 -7.174 -2.532 358 HD1 HIS 48 1HD HIS 48 -8.173 -9.230 -3.676 359 HD2 HIS 48 2HD HIS 48 -10.272 -7.418 -0.582 360 HE1 HIS 48 1HE HIS 48 -10.540 -10.051 -3.899 361 HE2 HIS 48 2HE HIS 48 -11.809 -8.875 -2.068 362 H HIS 49 H HIS 49 -4.726 -8.274 -2.534 363 HA HIS 49 HA HIS 49 -5.178 -10.411 -4.160 364 HB2 HIS 49 1HB HIS 49 -3.353 -8.678 -4.383 365 HB3 HIS 49 2HB HIS 49 -2.411 -9.626 -3.237 366 HD1 HIS 49 1HD HIS 49 -4.368 -10.612 -6.358 367 HD2 HIS 49 2HD HIS 49 -0.594 -11.010 -4.667 368 HE1 HIS 49 1HE HIS 49 -3.057 -12.033 -7.966 369 HE2 HIS 49 2HE HIS 49 -0.804 -12.331 -6.881 370 H PHE 50 H PHE 50 -3.287 -10.463 -1.149 371 HA PHE 50 HA PHE 50 -2.818 -13.281 -1.274 372 HB2 PHE 50 1HB PHE 50 -2.599 -11.512 1.164 373 HB3 PHE 50 2HB PHE 50 -1.774 -13.040 0.869 374 HD1 PHE 50 1HD PHE 50 -0.071 -13.137 -1.004 375 HD2 PHE 50 2HD PHE 50 -1.636 -9.487 0.527 376 HE1 PHE 50 1HE PHE 50 1.842 -11.920 -1.958 377 HE2 PHE 50 2HE PHE 50 0.274 -8.264 -0.426 378 HZ PHE 50 HZ PHE 50 2.016 -9.480 -1.671 379 H ARG 51 H ARG 51 -4.923 -11.221 0.722 380 HA ARG 51 HA ARG 51 -6.689 -13.536 1.103 381 HB2 ARG 51 1HB ARG 51 -5.148 -12.969 3.114 382 HB3 ARG 51 2HB ARG 51 -6.213 -11.588 3.337 383 HG2 ARG 51 1HG ARG 51 -7.228 -13.085 4.712 384 HG3 ARG 51 2HG ARG 51 -8.080 -13.444 3.209 385 HD2 ARG 51 1HD ARG 51 -7.383 -15.499 4.295 386 HD3 ARG 51 2HD ARG 51 -6.515 -15.283 2.775 387 HE ARG 51 HE ARG 51 -4.844 -14.207 4.618 388 HH11 ARG 51 1HH1 ARG 51 -6.460 -17.277 4.330 389 HH12 ARG 51 2HH1 ARG 51 -5.223 -18.154 5.168 390 HH21 ARG 51 1HH2 ARG 51 -3.208 -15.351 5.723 391 HH22 ARG 51 2HH2 ARG 51 -3.374 -17.058 5.960 392 HA PRO 52 HA PRO 52 -9.288 -10.180 -0.488 393 HB2 PRO 52 1HB PRO 52 -11.241 -11.839 -1.384 394 HB3 PRO 52 2HB PRO 52 -9.760 -11.519 -2.294 395 HG2 PRO 52 1HG PRO 52 -10.445 -13.854 -0.551 396 HG3 PRO 52 2HG PRO 52 -9.644 -13.836 -2.133 397 HD2 PRO 52 1HD PRO 52 -8.275 -14.094 0.189 398 HD3 PRO 52 2HD PRO 52 -7.599 -13.273 -1.232 399 H ASP 53 H ASP 53 -9.468 -12.103 2.171 400 HA ASP 53 HA ASP 53 -12.206 -11.291 2.861 401 HB2 ASP 53 1HB ASP 53 -11.860 -13.653 3.140 402 HB3 ASP 53 2HB ASP 53 -10.380 -13.382 4.054 403 H LEU 54 H LEU 54 -8.853 -11.093 3.903 404 HA LEU 54 HA LEU 54 -9.038 -10.016 6.401 405 HB2 LEU 54 1HB LEU 54 -7.152 -9.658 4.145 406 HB3 LEU 54 2HB LEU 54 -7.040 -8.507 5.475 407 HG LEU 54 HG LEU 54 -6.888 -11.490 5.863 408 HD11 LEU 54 1HD1 LEU 54 -4.476 -9.749 5.932 409 HD12 LEU 54 2HD1 LEU 54 -5.078 -10.308 4.372 410 HD13 LEU 54 3HD1 LEU 54 -4.615 -11.477 5.609 411 HD21 LEU 54 1HD2 LEU 54 -5.586 -9.598 7.701 412 HD22 LEU 54 2HD2 LEU 54 -6.510 -11.061 8.041 413 HD23 LEU 54 3HD2 LEU 54 -7.349 -9.549 7.688 414 H ILE 55 H ILE 55 -9.521 -8.347 3.328 415 HA ILE 55 HA ILE 55 -10.572 -6.042 4.836 416 HB ILE 55 HB ILE 55 -9.644 -5.611 2.055 417 HG12 ILE 55 1HG1 ILE 55 -7.331 -5.078 3.293 418 HG13 ILE 55 2HG1 ILE 55 -7.868 -6.418 4.301 419 HG21 ILE 55 1HG2 ILE 55 -8.717 -3.706 3.959 420 HG22 ILE 55 2HG2 ILE 55 -9.924 -3.505 2.690 421 HG23 ILE 55 3HG2 ILE 55 -10.412 -4.064 4.290 422 HD11 ILE 55 1HD1 ILE 55 -6.828 -6.412 1.579 423 HD12 ILE 55 2HD1 ILE 55 -6.860 -7.699 2.785 424 HD13 ILE 55 3HD1 ILE 55 -8.280 -7.391 1.786 425 H ASP 56 H ASP 56 -11.844 -4.627 2.997 426 HA ASP 56 HA ASP 56 -13.812 -6.492 1.840 427 HB2 ASP 56 1HB ASP 56 -14.220 -3.788 3.120 428 HB3 ASP 56 2HB ASP 56 -15.457 -4.589 2.155 429 H TYR 57 H TYR 57 -11.401 -5.338 0.600 430 HA TYR 57 HA TYR 57 -11.860 -3.193 -1.069 431 HB2 TYR 57 1HB TYR 57 -9.695 -4.418 -0.810 432 HB3 TYR 57 2HB TYR 57 -10.344 -5.697 -1.832 433 HD1 TYR 57 2HD TYR 57 -10.909 -5.181 -4.221 434 HD2 TYR 57 1HD TYR 57 -8.798 -2.437 -1.748 435 HE1 TYR 57 2HE TYR 57 -10.143 -3.975 -6.223 436 HE2 TYR 57 1HE TYR 57 -8.026 -1.223 -3.743 437 HH TYR 57 HH TYR 57 -8.891 -2.321 -7.009 438 H LYS 58 H LYS 58 -13.347 -6.267 -1.116 439 HA LYS 58 HA LYS 58 -14.003 -6.501 -3.843 440 HB2 LYS 58 1HB LYS 58 -15.746 -8.053 -3.103 441 HB3 LYS 58 2HB LYS 58 -14.230 -8.360 -2.266 442 HG2 LYS 58 1HG LYS 58 -15.038 -7.292 -0.280 443 HG3 LYS 58 2HG LYS 58 -16.504 -6.765 -1.109 444 HD2 LYS 58 1HD LYS 58 -17.258 -9.032 -1.344 445 HD3 LYS 58 2HD LYS 58 -15.726 -9.653 -0.725 446 HE2 LYS 58 1HE LYS 58 -16.250 -8.354 1.403 447 HE3 LYS 58 2HE LYS 58 -17.881 -8.172 0.759 448 HZ1 LYS 58 1HZ LYS 58 -16.827 -10.341 2.147 449 HZ2 LYS 58 2HZ LYS 58 -17.104 -10.868 0.563 450 HZ3 LYS 58 3HZ LYS 58 -18.369 -10.198 1.465 451 H SER 59 H SER 59 -15.412 -4.658 -1.232 452 HA SER 59 HA SER 59 -17.324 -3.508 -3.153 453 HB2 SER 59 1HB SER 59 -17.802 -4.547 -0.395 454 HB3 SER 59 2HB SER 59 -18.711 -3.130 -0.919 455 HG SER 59 HG SER 59 -19.447 -5.488 -1.375 456 H LEU 60 H LEU 60 -14.672 -2.603 -2.401 457 HA LEU 60 HA LEU 60 -15.145 -0.278 -0.713 458 HB2 LEU 60 1HB LEU 60 -12.731 -1.582 -1.890 459 HB3 LEU 60 2HB LEU 60 -12.641 0.093 -1.351 460 HG LEU 60 HG LEU 60 -13.087 -2.383 0.287 461 HD11 LEU 60 1HD1 LEU 60 -11.032 -2.007 1.086 462 HD12 LEU 60 2HD1 LEU 60 -11.286 -0.265 1.193 463 HD13 LEU 60 3HD1 LEU 60 -10.826 -0.996 -0.345 464 HD21 LEU 60 1HD2 LEU 60 -13.241 -0.514 2.157 465 HD22 LEU 60 2HD2 LEU 60 -14.675 -1.132 1.337 466 HD23 LEU 60 3HD2 LEU 60 -13.962 0.401 0.833 467 H ASN 61 H ASN 61 -13.673 1.693 -1.675 468 HA ASN 61 HA ASN 61 -13.852 2.163 -4.458 469 HB2 ASN 61 1HB ASN 61 -16.126 3.073 -2.743 470 HB3 ASN 61 2HB ASN 61 -15.597 4.107 -4.067 471 HD21 ASN 61 1HD2 ASN 61 -14.942 2.341 -6.001 472 HD22 ASN 61 2HD2 ASN 61 -16.333 1.440 -6.490 473 HA PRO 62 HA PRO 62 -11.105 5.426 -3.432 474 HB2 PRO 62 1HB PRO 62 -11.616 7.248 -5.378 475 HB3 PRO 62 2HB PRO 62 -10.773 5.725 -5.685 476 HG2 PRO 62 1HG PRO 62 -13.646 6.426 -6.149 477 HG3 PRO 62 2HG PRO 62 -12.532 5.526 -7.194 478 HD2 PRO 62 1HD PRO 62 -14.375 4.302 -5.633 479 HD3 PRO 62 2HD PRO 62 -12.802 3.568 -6.008 480 H GLN 63 H GLN 63 -14.345 5.705 -2.929 481 HA GLN 63 HA GLN 63 -14.502 8.529 -2.395 482 HB2 GLN 63 1HB GLN 63 -16.727 7.922 -1.400 483 HB3 GLN 63 2HB GLN 63 -16.521 7.459 -3.084 484 HG2 GLN 63 1HG GLN 63 -17.637 5.733 -1.735 485 HG3 GLN 63 2HG GLN 63 -16.133 5.173 -2.465 486 HE21 GLN 63 1HE2 GLN 63 -15.408 3.686 -1.095 487 HE22 GLN 63 2HE2 GLN 63 -15.137 3.929 0.594 488 H ASP 64 H ASP 64 -13.206 5.898 -0.774 489 HA ASP 64 HA ASP 64 -13.476 7.243 1.833 490 HB2 ASP 64 1HB ASP 64 -13.346 4.367 1.054 491 HB3 ASP 64 2HB ASP 64 -12.632 4.840 2.593 492 H ILE 65 H ILE 65 -11.732 8.394 2.311 493 HA ILE 65 HA ILE 65 -9.114 7.511 1.327 494 HB ILE 65 HB ILE 65 -9.949 10.166 2.502 495 HG12 ILE 65 1HG1 ILE 65 -9.337 9.297 -0.329 496 HG13 ILE 65 2HG1 ILE 65 -10.889 9.845 0.296 497 HG21 ILE 65 1HG2 ILE 65 -7.561 9.434 2.909 498 HG22 ILE 65 2HG2 ILE 65 -7.337 9.518 1.163 499 HG23 ILE 65 3HG2 ILE 65 -7.771 10.969 2.067 500 HD11 ILE 65 1HD1 ILE 65 -9.812 11.574 -1.016 501 HD12 ILE 65 2HD1 ILE 65 -9.945 12.065 0.673 502 HD13 ILE 65 3HD1 ILE 65 -8.397 11.511 0.034 503 H LYS 66 H LYS 66 -10.726 8.597 4.298 504 HA LYS 66 HA LYS 66 -8.456 8.043 5.957 505 HB2 LYS 66 1HB LYS 66 -10.468 9.683 6.336 506 HB3 LYS 66 2HB LYS 66 -11.245 8.265 7.027 507 HG2 LYS 66 1HG LYS 66 -9.829 8.189 8.822 508 HG3 LYS 66 2HG LYS 66 -8.513 8.986 7.957 509 HD2 LYS 66 1HD LYS 66 -9.189 10.664 9.379 510 HD3 LYS 66 2HD LYS 66 -10.157 11.025 7.948 511 HE2 LYS 66 1HE LYS 66 -11.999 9.662 8.985 512 HE3 LYS 66 2HE LYS 66 -11.032 9.606 10.458 513 HZ1 LYS 66 1HZ LYS 66 -11.357 12.260 9.402 514 HZ2 LYS 66 2HZ LYS 66 -11.587 11.688 10.977 515 HZ3 LYS 66 3HZ LYS 66 -12.824 11.534 9.833 516 H GLU 67 H GLU 67 -11.512 6.405 5.241 517 HA GLU 67 HA GLU 67 -11.140 4.276 7.073 518 HB2 GLU 67 1HB GLU 67 -13.335 4.901 6.111 519 HB3 GLU 67 2HB GLU 67 -12.792 4.322 4.542 520 HG2 GLU 67 1HG GLU 67 -12.937 2.124 5.143 521 HG3 GLU 67 2HG GLU 67 -12.674 2.459 6.853 522 H ASN 68 H ASN 68 -11.064 4.117 3.510 523 HA ASN 68 HA ASN 68 -10.066 1.695 3.032 524 HB2 ASN 68 1HB ASN 68 -9.388 4.327 1.768 525 HB3 ASN 68 2HB ASN 68 -8.561 2.868 1.229 526 HD21 ASN 68 1HD2 ASN 68 -9.743 3.734 -0.758 527 HD22 ASN 68 2HD2 ASN 68 -11.307 3.062 -1.055 528 H ASN 69 H ASN 69 -7.909 4.454 3.721 529 HA ASN 69 HA ASN 69 -5.528 3.026 3.846 530 HB2 ASN 69 1HB ASN 69 -6.462 5.621 5.003 531 HB3 ASN 69 2HB ASN 69 -4.913 4.968 5.526 532 HD21 ASN 69 1HD2 ASN 69 -6.770 5.952 2.708 533 HD22 ASN 69 2HD2 ASN 69 -5.408 6.353 1.723 534 H LYS 70 H LYS 70 -7.593 4.039 6.573 535 HA LYS 70 HA LYS 70 -6.234 2.863 8.645 536 HB2 LYS 70 1HB LYS 70 -8.154 4.272 9.044 537 HB3 LYS 70 2HB LYS 70 -9.219 3.120 8.250 538 HG2 LYS 70 1HG LYS 70 -9.583 2.803 10.534 539 HG3 LYS 70 2HG LYS 70 -8.524 1.473 10.061 540 HD2 LYS 70 1HD LYS 70 -6.589 2.898 10.831 541 HD3 LYS 70 2HD LYS 70 -7.781 4.001 11.522 542 HE2 LYS 70 1HE LYS 70 -8.699 1.847 12.665 543 HE3 LYS 70 2HE LYS 70 -7.097 1.200 12.317 544 HZ1 LYS 70 1HZ LYS 70 -7.748 2.634 14.506 545 HZ2 LYS 70 2HZ LYS 70 -7.061 3.819 13.514 546 HZ3 LYS 70 3HZ LYS 70 -6.175 2.434 13.914 547 H LYS 71 H LYS 71 -8.590 1.350 6.476 548 HA LYS 71 HA LYS 71 -8.899 -1.109 7.655 549 HB2 LYS 71 1HB LYS 71 -8.556 -0.685 4.684 550 HB3 LYS 71 2HB LYS 71 -9.446 -1.980 5.474 551 HG2 LYS 71 1HG LYS 71 -10.791 0.059 6.491 552 HG3 LYS 71 2HG LYS 71 -10.206 0.850 5.025 553 HD2 LYS 71 1HD LYS 71 -12.149 -0.040 4.221 554 HD3 LYS 71 2HD LYS 71 -11.063 -1.397 3.913 555 HE2 LYS 71 1HE LYS 71 -11.778 -2.078 6.357 556 HE3 LYS 71 2HE LYS 71 -13.184 -1.084 5.980 557 HZ1 LYS 71 1HZ LYS 71 -12.735 -2.727 3.786 558 HZ2 LYS 71 2HZ LYS 71 -14.017 -2.801 4.887 559 HZ3 LYS 71 3HZ LYS 71 -12.619 -3.716 5.154 560 H ALA 72 H ALA 72 -6.459 -0.340 5.166 561 HA ALA 72 HA ALA 72 -5.070 -2.733 5.231 562 HB1 ALA 72 1HB ALA 72 -4.211 -1.561 3.528 563 HB2 ALA 72 2HB ALA 72 -4.533 -0.011 4.307 564 HB3 ALA 72 3HB ALA 72 -3.085 -0.927 4.729 565 H TYR 73 H TYR 73 -3.929 0.261 6.803 566 HA TYR 73 HA TYR 73 -1.872 -0.610 8.273 567 HB2 TYR 73 1HB TYR 73 -4.027 1.101 9.518 568 HB3 TYR 73 2HB TYR 73 -2.305 1.112 9.883 569 HD1 TYR 73 1HD TYR 73 -1.464 0.945 6.890 570 HD2 TYR 73 2HD TYR 73 -4.145 3.458 9.035 571 HE1 TYR 73 1HE TYR 73 -1.120 2.723 5.225 572 HE2 TYR 73 2HE TYR 73 -3.810 5.242 7.375 573 HH TYR 73 HH TYR 73 -2.926 5.763 5.384 574 H ASP 74 H ASP 74 -5.261 -1.216 9.019 575 HA ASP 74 HA ASP 74 -4.774 -2.466 11.534 576 HB2 ASP 74 1HB ASP 74 -7.108 -2.138 9.718 577 HB3 ASP 74 2HB ASP 74 -7.176 -3.450 10.891 578 H GLY 75 H GLY 75 -5.331 -3.679 8.246 579 HA2 GLY 75 1HA GLY 75 -5.264 -6.429 8.949 580 HA3 GLY 75 2HA GLY 75 -5.054 -5.771 7.333 581 H PHE 76 H PHE 76 -2.782 -4.235 7.669 582 HA PHE 76 HA PHE 76 -0.764 -6.247 7.569 583 HB2 PHE 76 1HB PHE 76 -0.593 -3.230 7.491 584 HB3 PHE 76 2HB PHE 76 0.783 -4.300 7.245 585 HD1 PHE 76 1HD PHE 76 0.199 -6.254 5.447 586 HD2 PHE 76 2HD PHE 76 -1.519 -2.363 5.593 587 HE1 PHE 76 1HE PHE 76 -0.349 -6.410 3.053 588 HE2 PHE 76 2HE PHE 76 -2.071 -2.512 3.200 589 HZ PHE 76 HZ PHE 76 -1.487 -4.538 1.927 590 H ALA 77 H ALA 77 -1.531 -3.632 9.835 591 HA ALA 77 HA ALA 77 0.648 -4.174 11.587 592 HB1 ALA 77 1HB ALA 77 -1.902 -2.745 12.305 593 HB2 ALA 77 2HB ALA 77 -0.309 -2.562 13.041 594 HB3 ALA 77 3HB ALA 77 -0.591 -1.991 11.397 595 H SER 78 H SER 78 -2.229 -5.803 10.994 596 HA SER 78 HA SER 78 -2.817 -6.712 13.634 597 HB2 SER 78 1HB SER 78 -4.615 -6.802 12.095 598 HB3 SER 78 2HB SER 78 -3.644 -7.643 10.887 599 HG SER 78 HG SER 78 -4.008 -8.872 13.368 600 H ILE 79 H ILE 79 -0.746 -7.808 11.045 601 HA ILE 79 HA ILE 79 -0.182 -10.330 12.383 602 HB ILE 79 HB ILE 79 1.463 -10.597 10.444 603 HG12 ILE 79 1HG1 ILE 79 -0.146 -8.310 9.298 604 HG13 ILE 79 2HG1 ILE 79 1.488 -8.130 9.928 605 HG21 ILE 79 1HG2 ILE 79 -1.324 -10.981 10.642 606 HG22 ILE 79 2HG2 ILE 79 -0.992 -10.436 8.999 607 HG23 ILE 79 3HG2 ILE 79 -0.172 -11.861 9.637 608 HD11 ILE 79 1HD1 ILE 79 0.986 -10.186 7.844 609 HD12 ILE 79 2HD1 ILE 79 1.048 -8.487 7.374 610 HD13 ILE 79 3HD1 ILE 79 2.433 -9.233 8.170 611 H GLY 80 H GLY 80 1.409 -7.262 11.654 612 HA2 GLY 80 1HA GLY 80 2.962 -7.042 13.869 613 HA3 GLY 80 2HA GLY 80 3.915 -8.085 12.823 614 H ILE 81 H ILE 81 2.585 -6.536 10.504 615 HA ILE 81 HA ILE 81 4.739 -4.822 9.970 616 HB ILE 81 HB ILE 81 1.969 -4.822 8.767 617 HG12 ILE 81 1HG1 ILE 81 4.563 -6.074 7.840 618 HG13 ILE 81 2HG1 ILE 81 3.172 -6.940 8.483 619 HG21 ILE 81 1HG2 ILE 81 4.477 -3.608 7.625 620 HG22 ILE 81 2HG2 ILE 81 2.844 -3.517 6.970 621 HG23 ILE 81 3HG2 ILE 81 3.236 -2.687 8.475 622 HD11 ILE 81 1HD1 ILE 81 2.419 -7.140 6.417 623 HD12 ILE 81 2HD1 ILE 81 2.209 -5.389 6.359 624 HD13 ILE 81 3HD1 ILE 81 3.716 -6.116 5.802 625 H SER 82 H SER 82 5.063 -3.397 11.676 626 HA SER 82 HA SER 82 3.195 -1.822 12.962 627 HB2 SER 82 1HB SER 82 5.028 -0.385 13.616 628 HB3 SER 82 2HB SER 82 5.602 -2.053 13.603 629 HG SER 82 HG SER 82 6.242 -1.445 11.312 630 H ARG 83 H ARG 83 1.902 -0.231 12.335 631 HA ARG 83 HA ARG 83 1.992 0.783 9.664 632 HB2 ARG 83 1HB ARG 83 0.066 2.177 10.394 633 HB3 ARG 83 2HB ARG 83 -0.150 0.463 10.723 634 HG2 ARG 83 1HG ARG 83 -0.830 1.246 12.722 635 HG3 ARG 83 2HG ARG 83 0.902 1.215 13.061 636 HD2 ARG 83 1HD ARG 83 1.121 3.513 12.796 637 HD3 ARG 83 2HD ARG 83 -0.369 3.645 11.863 638 HE ARG 83 HE ARG 83 -0.698 2.811 14.614 639 HH11 ARG 83 1HH1 ARG 83 -0.626 5.461 12.357 640 HH12 ARG 83 2HH1 ARG 83 -1.542 6.523 13.374 641 HH21 ARG 83 1HH2 ARG 83 -1.905 4.200 15.962 642 HH22 ARG 83 2HH2 ARG 83 -2.269 5.805 15.425 643 H LEU 84 H LEU 84 2.687 2.722 8.914 644 HA LEU 84 HA LEU 84 4.045 4.476 10.852 645 HB2 LEU 84 1HB LEU 84 4.702 3.649 8.065 646 HB3 LEU 84 2HB LEU 84 5.227 5.233 8.632 647 HG LEU 84 HG LEU 84 6.195 3.773 10.631 648 HD11 LEU 84 1HD1 LEU 84 6.672 1.599 10.187 649 HD12 LEU 84 2HD1 LEU 84 6.743 1.852 8.443 650 HD13 LEU 84 3HD1 LEU 84 5.181 1.739 9.255 651 HD21 LEU 84 1HD2 LEU 84 7.759 3.680 8.097 652 HD22 LEU 84 2HD2 LEU 84 8.267 4.142 9.722 653 HD23 LEU 84 3HD2 LEU 84 7.290 5.248 8.755 654 H LEU 85 H LEU 85 2.370 4.551 7.707 655 HA LEU 85 HA LEU 85 1.857 7.370 7.897 656 HB2 LEU 85 1HB LEU 85 2.142 5.924 5.783 657 HB3 LEU 85 2HB LEU 85 0.453 5.487 6.034 658 HG LEU 85 HG LEU 85 -0.141 7.891 5.870 659 HD11 LEU 85 1HD1 LEU 85 1.371 9.522 5.766 660 HD12 LEU 85 2HD1 LEU 85 2.331 8.669 4.558 661 HD13 LEU 85 3HD1 LEU 85 2.552 8.313 6.271 662 HD21 LEU 85 1HD2 LEU 85 0.906 7.904 3.329 663 HD22 LEU 85 2HD2 LEU 85 -0.603 7.134 3.821 664 HD23 LEU 85 3HD2 LEU 85 0.885 6.189 3.740 665 H GLU 86 H GLU 86 -0.129 8.392 8.213 666 HA GLU 86 HA GLU 86 -2.063 6.797 9.737 667 HB2 GLU 86 1HB GLU 86 -1.476 9.753 9.655 668 HB3 GLU 86 2HB GLU 86 -2.907 9.099 10.440 669 HG2 GLU 86 1HG GLU 86 -1.481 7.774 11.924 670 HG3 GLU 86 2HG GLU 86 -0.053 8.455 11.147 671 HA PRO 87 HA PRO 87 -5.045 7.045 6.509 672 HB2 PRO 87 1HB PRO 87 -7.297 6.687 7.983 673 HB3 PRO 87 2HB PRO 87 -6.165 5.377 7.625 674 HG2 PRO 87 1HG PRO 87 -6.423 7.030 10.107 675 HG3 PRO 87 2HG PRO 87 -6.171 5.282 9.948 676 HD2 PRO 87 1HD PRO 87 -4.155 7.000 10.510 677 HD3 PRO 87 2HD PRO 87 -3.910 5.516 9.566 678 H SER 88 H SER 88 -5.647 8.937 9.453 679 HA SER 88 HA SER 88 -7.526 10.700 8.251 680 HB2 SER 88 1HB SER 88 -7.622 10.526 10.613 681 HB3 SER 88 2HB SER 88 -5.894 10.835 10.786 682 HG SER 88 HG SER 88 -6.479 12.830 11.050 683 H ASP 89 H ASP 89 -4.135 11.204 9.239 684 HA ASP 89 HA ASP 89 -3.638 13.715 8.419 685 HB2 ASP 89 1HB ASP 89 -1.400 13.181 8.363 686 HB3 ASP 89 2HB ASP 89 -2.028 11.776 9.220 687 H MET 90 H MET 90 -3.856 10.903 6.277 688 HA MET 90 HA MET 90 -3.106 12.080 3.885 689 HB2 MET 90 1HB MET 90 -5.198 9.954 4.370 690 HB3 MET 90 2HB MET 90 -4.528 10.351 2.794 691 HG2 MET 90 1HG MET 90 -2.706 9.590 5.028 692 HG3 MET 90 2HG MET 90 -3.592 8.345 4.151 693 HE1 MET 90 1HE MET 90 -3.177 7.843 1.453 694 HE2 MET 90 2HE MET 90 -1.438 7.602 1.293 695 HE3 MET 90 3HE MET 90 -2.279 7.031 2.735 696 H VAL 91 H VAL 91 -6.307 11.988 5.411 697 HA VAL 91 HA VAL 91 -7.663 13.347 3.329 698 HB VAL 91 HB VAL 91 -8.400 13.187 6.255 699 HG11 VAL 91 1HG1 VAL 91 -10.100 13.791 3.837 700 HG12 VAL 91 2HG1 VAL 91 -10.675 13.640 5.499 701 HG13 VAL 91 3HG1 VAL 91 -9.588 14.958 5.056 702 HG21 VAL 91 1HG2 VAL 91 -9.968 11.375 5.326 703 HG22 VAL 91 2HG2 VAL 91 -8.885 11.348 3.934 704 HG23 VAL 91 3HG2 VAL 91 -8.265 10.967 5.541 705 H LEU 92 H LEU 92 -6.340 14.466 6.435 706 HA LEU 92 HA LEU 92 -7.096 17.107 6.367 707 HB2 LEU 92 1HB LEU 92 -4.399 16.114 7.271 708 HB3 LEU 92 2HB LEU 92 -5.220 17.581 7.799 709 HG LEU 92 HG LEU 92 -6.221 14.789 8.344 710 HD11 LEU 92 1HD1 LEU 92 -3.969 15.830 9.424 711 HD12 LEU 92 2HD1 LEU 92 -5.035 14.694 10.249 712 HD13 LEU 92 3HD1 LEU 92 -5.186 16.424 10.553 713 HD21 LEU 92 1HD2 LEU 92 -8.068 15.774 9.072 714 HD22 LEU 92 2HD2 LEU 92 -7.446 17.330 8.520 715 HD23 LEU 92 3HD2 LEU 92 -7.124 16.784 10.167 716 H LEU 93 H LEU 93 -3.890 15.953 5.299 717 HA LEU 93 HA LEU 93 -3.408 18.378 3.837 718 HB2 LEU 93 1HB LEU 93 -1.299 17.365 3.223 719 HB3 LEU 93 2HB LEU 93 -1.599 17.168 4.949 720 HG LEU 93 HG LEU 93 -2.499 14.814 4.196 721 HD11 LEU 93 1HD1 LEU 93 -1.859 15.728 1.738 722 HD12 LEU 93 2HD1 LEU 93 -1.888 14.022 2.182 723 HD13 LEU 93 3HD1 LEU 93 -0.362 14.905 2.177 724 HD21 LEU 93 1HD2 LEU 93 -0.669 14.058 5.228 725 HD22 LEU 93 2HD2 LEU 93 -0.201 15.753 5.368 726 HD23 LEU 93 3HD2 LEU 93 0.411 14.776 4.032 727 H ALA 94 H ALA 94 -2.712 18.298 1.521 728 HA ALA 94 HA ALA 94 -4.745 16.909 -0.019 729 HB1 ALA 94 1HB ALA 94 -4.625 18.661 -1.379 730 HB2 ALA 94 2HB ALA 94 -3.486 19.385 -0.242 731 HB3 ALA 94 3HB ALA 94 -2.890 18.441 -1.608 732 H ILE 95 H ILE 95 -1.200 17.281 -0.203 733 HA ILE 95 HA ILE 95 -1.096 14.647 -1.524 734 HB ILE 95 HB ILE 95 0.791 16.978 -1.887 735 HG12 ILE 95 1HG1 ILE 95 -1.252 17.386 -3.081 736 HG13 ILE 95 2HG1 ILE 95 -0.048 16.866 -4.254 737 HG21 ILE 95 1HG2 ILE 95 1.859 14.720 -1.941 738 HG22 ILE 95 2HG2 ILE 95 0.815 14.321 -3.305 739 HG23 ILE 95 3HG2 ILE 95 1.992 15.626 -3.448 740 HD11 ILE 95 1HD1 ILE 95 -2.553 15.593 -3.423 741 HD12 ILE 95 2HD1 ILE 95 -1.692 15.524 -4.961 742 HD13 ILE 95 3HD1 ILE 95 -1.182 14.501 -3.619 743 HA PRO 96 HA PRO 96 1.162 13.470 2.123 744 HB2 PRO 96 1HB PRO 96 1.743 10.949 1.301 745 HB3 PRO 96 2HB PRO 96 0.147 11.421 1.897 746 HG2 PRO 96 1HG PRO 96 1.101 11.115 -0.924 747 HG3 PRO 96 2HG PRO 96 -0.431 10.595 -0.198 748 HD2 PRO 96 1HD PRO 96 -0.214 12.846 -1.686 749 HD3 PRO 96 2HD PRO 96 -1.356 12.702 -0.335 750 H ASP 97 H ASP 97 3.316 12.189 2.448 751 HA ASP 97 HA ASP 97 5.308 13.491 0.747 752 HB2 ASP 97 1HB ASP 97 5.355 12.336 3.516 753 HB3 ASP 97 2HB ASP 97 6.861 12.565 2.631 754 H LYS 98 H LYS 98 5.993 12.345 -0.933 755 HA LYS 98 HA LYS 98 5.650 9.689 -1.464 756 HB2 LYS 98 1HB LYS 98 6.510 11.401 -3.061 757 HB3 LYS 98 2HB LYS 98 8.078 11.299 -2.272 758 HG2 LYS 98 1HG LYS 98 7.955 8.790 -2.826 759 HG3 LYS 98 2HG LYS 98 6.682 9.258 -3.956 760 HD2 LYS 98 1HD LYS 98 8.127 10.447 -5.299 761 HD3 LYS 98 2HD LYS 98 9.273 10.739 -3.989 762 HE2 LYS 98 1HE LYS 98 10.268 8.683 -4.221 763 HE3 LYS 98 2HE LYS 98 8.819 7.938 -4.893 764 HZ1 LYS 98 1HZ LYS 98 10.682 8.281 -6.497 765 HZ2 LYS 98 2HZ LYS 98 10.436 9.948 -6.354 766 HZ3 LYS 98 3HZ LYS 98 9.209 8.962 -6.975 767 H LEU 99 H LEU 99 8.522 11.150 0.052 768 HA LEU 99 HA LEU 99 10.024 8.852 0.411 769 HB2 LEU 99 1HB LEU 99 9.866 11.121 2.382 770 HB3 LEU 99 2HB LEU 99 11.225 10.033 2.106 771 HG LEU 99 HG LEU 99 10.217 12.034 0.087 772 HD11 LEU 99 1HD1 LEU 99 11.087 13.152 2.089 773 HD12 LEU 99 2HD1 LEU 99 12.136 13.390 0.692 774 HD13 LEU 99 3HD1 LEU 99 12.585 12.232 1.944 775 HD21 LEU 99 1HD2 LEU 99 12.482 10.086 0.184 776 HD22 LEU 99 2HD2 LEU 99 12.639 11.581 -0.739 777 HD23 LEU 99 3HD2 LEU 99 11.356 10.434 -1.128 778 H THR 100 H THR 100 7.564 10.252 2.550 779 HA THR 100 HA THR 100 7.817 8.374 4.630 780 HB THR 100 HB THR 100 5.265 9.807 3.889 781 HG1 THR 100 1HG THR 100 6.284 11.327 5.572 782 HG21 THR 100 1HG2 THR 100 5.987 9.569 6.698 783 HG22 THR 100 2HG2 THR 100 5.822 8.002 5.907 784 HG23 THR 100 3HG2 THR 100 4.483 9.148 5.880 785 H VAL 101 H VAL 101 5.140 8.604 2.278 786 HA VAL 101 HA VAL 101 3.861 6.260 2.750 787 HB VAL 101 HB VAL 101 4.415 7.415 0.013 788 HG11 VAL 101 1HG1 VAL 101 3.306 4.971 0.588 789 HG12 VAL 101 2HG1 VAL 101 1.891 6.016 0.437 790 HG13 VAL 101 3HG1 VAL 101 3.047 5.895 -0.891 791 HG21 VAL 101 1HG2 VAL 101 1.796 7.968 0.864 792 HG22 VAL 101 2HG2 VAL 101 2.848 8.357 2.224 793 HG23 VAL 101 3HG2 VAL 101 3.125 9.108 0.653 794 H MET 102 H MET 102 6.414 6.583 0.272 795 HA MET 102 HA MET 102 6.694 3.982 -0.480 796 HB2 MET 102 1HB MET 102 8.670 6.210 -0.192 797 HB3 MET 102 2HB MET 102 9.242 4.607 -0.633 798 HG2 MET 102 1HG MET 102 7.669 4.624 -2.545 799 HG3 MET 102 2HG MET 102 7.242 6.282 -2.129 800 HE1 MET 102 1HE MET 102 9.278 4.534 -4.817 801 HE2 MET 102 2HE MET 102 10.934 4.724 -4.241 802 HE3 MET 102 3HE MET 102 9.770 3.798 -3.291 803 H THR 103 H THR 103 8.214 5.519 2.336 804 HA THR 103 HA THR 103 9.790 3.454 3.244 805 HB THR 103 HB THR 103 8.159 5.282 5.016 806 HG1 THR 103 1HG THR 103 10.627 5.657 3.656 807 HG21 THR 103 1HG2 THR 103 10.832 4.634 5.901 808 HG22 THR 103 2HG2 THR 103 9.871 3.175 5.664 809 HG23 THR 103 3HG2 THR 103 9.295 4.444 6.744 810 H TYR 104 H TYR 104 6.457 4.112 4.345 811 HA TYR 104 HA TYR 104 6.096 1.859 5.895 812 HB2 TYR 104 1HB TYR 104 4.502 3.737 5.795 813 HB3 TYR 104 2HB TYR 104 4.014 3.232 4.181 814 HD1 TYR 104 2HD TYR 104 4.631 1.184 7.234 815 HD2 TYR 104 1HD TYR 104 1.792 2.572 4.385 816 HE1 TYR 104 2HE TYR 104 2.931 -0.297 8.216 817 HE2 TYR 104 1HE TYR 104 0.083 1.096 5.360 818 HH TYR 104 HH TYR 104 0.383 -1.318 6.872 819 H LEU 105 H LEU 105 5.392 2.247 2.431 820 HA LEU 105 HA LEU 105 4.369 -0.292 1.941 821 HB2 LEU 105 1HB LEU 105 5.736 1.768 0.283 822 HB3 LEU 105 2HB LEU 105 5.488 0.164 -0.404 823 HG LEU 105 HG LEU 105 3.248 1.846 0.702 824 HD11 LEU 105 1HD1 LEU 105 4.064 3.152 -1.065 825 HD12 LEU 105 2HD1 LEU 105 2.749 2.212 -1.769 826 HD13 LEU 105 3HD1 LEU 105 4.423 1.740 -2.059 827 HD21 LEU 105 1HD2 LEU 105 3.413 -0.840 -0.068 828 HD22 LEU 105 2HD2 LEU 105 2.590 -0.012 -1.390 829 HD23 LEU 105 3HD2 LEU 105 1.954 0.099 0.252 830 H TYR 106 H TYR 106 7.729 0.843 1.605 831 HA TYR 106 HA TYR 106 8.974 -1.403 0.711 832 HB2 TYR 106 1HB TYR 106 9.814 0.765 2.582 833 HB3 TYR 106 2HB TYR 106 10.870 -0.630 2.396 834 HD1 TYR 106 2HD TYR 106 10.810 -1.301 -0.371 835 HD2 TYR 106 1HD TYR 106 10.656 2.561 1.408 836 HE1 TYR 106 2HE TYR 106 11.745 -0.324 -2.425 837 HE2 TYR 106 1HE TYR 106 11.589 3.549 -0.641 838 HH TYR 106 HH TYR 106 12.479 1.520 -3.418 839 H GLN 107 H GLN 107 7.711 -0.827 3.925 840 HA GLN 107 HA GLN 107 8.959 -3.022 5.206 841 HB2 GLN 107 1HB GLN 107 6.349 -1.678 5.922 842 HB3 GLN 107 2HB GLN 107 7.331 -2.678 6.984 843 HG2 GLN 107 1HG GLN 107 8.543 -0.254 5.752 844 HG3 GLN 107 2HG GLN 107 7.435 -0.070 7.111 845 HE21 GLN 107 1HE2 GLN 107 8.739 0.457 8.742 846 HE22 GLN 107 2HE2 GLN 107 10.090 -0.477 9.278 847 H ILE 108 H ILE 108 5.770 -2.623 3.701 848 HA ILE 108 HA ILE 108 4.836 -5.225 4.272 849 HB ILE 108 HB ILE 108 4.034 -3.229 2.164 850 HG12 ILE 108 1HG1 ILE 108 1.900 -3.400 3.698 851 HG13 ILE 108 2HG1 ILE 108 3.048 -4.024 4.877 852 HG21 ILE 108 1HG2 ILE 108 3.383 -6.049 2.354 853 HG22 ILE 108 2HG2 ILE 108 1.949 -5.025 2.412 854 HG23 ILE 108 3HG2 ILE 108 3.067 -4.902 1.053 855 HD11 ILE 108 1HD1 ILE 108 3.580 -1.450 3.458 856 HD12 ILE 108 2HD1 ILE 108 2.509 -1.510 4.859 857 HD13 ILE 108 3HD1 ILE 108 4.191 -2.019 5.012 858 H ARG 109 H ARG 109 5.955 -3.881 1.158 859 HA ARG 109 HA ARG 109 5.994 -6.181 -0.330 860 HB2 ARG 109 1HB ARG 109 6.453 -4.100 -1.397 861 HB3 ARG 109 2HB ARG 109 7.860 -3.813 -0.382 862 HG2 ARG 109 1HG ARG 109 8.708 -6.039 -1.498 863 HG3 ARG 109 2HG ARG 109 7.557 -5.577 -2.753 864 HD2 ARG 109 1HD ARG 109 8.656 -3.473 -3.075 865 HD3 ARG 109 2HD ARG 109 9.697 -3.749 -1.679 866 HE ARG 109 HE ARG 109 9.958 -5.766 -3.701 867 HH11 ARG 109 1HH1 ARG 109 11.000 -2.604 -2.682 868 HH12 ARG 109 2HH1 ARG 109 12.503 -2.679 -3.541 869 HH21 ARG 109 1HH2 ARG 109 11.934 -5.877 -4.836 870 HH22 ARG 109 2HH2 ARG 109 13.032 -4.541 -4.767 871 H ALA 110 H ALA 110 8.431 -5.046 1.956 872 HA ALA 110 HA ALA 110 10.361 -7.041 1.380 873 HB1 ALA 110 1HB ALA 110 11.084 -5.057 2.474 874 HB2 ALA 110 2HB ALA 110 9.939 -5.293 3.795 875 HB3 ALA 110 3HB ALA 110 11.309 -6.388 3.610 876 H HIS 111 H HIS 111 7.792 -6.797 3.810 877 HA HIS 111 HA HIS 111 8.331 -9.027 5.336 878 HB2 HIS 111 1HB HIS 111 6.502 -7.329 5.713 879 HB3 HIS 111 2HB HIS 111 5.553 -8.183 4.499 880 HD1 HIS 111 1HD HIS 111 6.638 -8.349 8.036 881 HD2 HIS 111 2HD HIS 111 4.645 -10.757 5.299 882 HE1 HIS 111 1HE HIS 111 5.567 -10.171 9.399 883 HE2 HIS 111 2HE HIS 111 4.438 -11.663 7.713 884 H PHE 112 H PHE 112 6.162 -8.918 2.503 885 HA PHE 112 HA PHE 112 5.940 -11.768 2.387 886 HB2 PHE 112 1HB PHE 112 5.090 -9.548 0.532 887 HB3 PHE 112 2HB PHE 112 4.849 -11.246 0.133 888 HD1 PHE 112 1HD PHE 112 3.306 -12.622 1.448 889 HD2 PHE 112 2HD PHE 112 3.747 -8.450 2.169 890 HE1 PHE 112 1HE PHE 112 1.204 -12.625 2.726 891 HE2 PHE 112 2HE PHE 112 1.646 -8.447 3.449 892 HZ PHE 112 HZ PHE 112 0.372 -10.535 3.730 893 H SER 113 H SER 113 7.356 -9.402 0.120 894 HA SER 113 HA SER 113 9.031 -11.550 -0.972 895 HB2 SER 113 1HB SER 113 8.495 -8.790 -2.096 896 HB3 SER 113 2HB SER 113 9.372 -10.091 -2.900 897 HG SER 113 HG SER 113 7.165 -11.213 -2.323 898 H SER 114 H SER 114 11.025 -11.703 -0.215 899 HA SER 114 HA SER 114 12.252 -9.588 1.279 900 HB2 SER 114 1HB SER 114 13.406 -12.221 0.329 901 HB3 SER 114 2HB SER 114 14.143 -11.147 1.517 902 HG SER 114 HG SER 114 12.395 -11.525 2.884 903 H GLY 115 H GLY 115 14.765 -9.301 0.732 904 HA2 GLY 115 1HA GLY 115 15.660 -9.264 -1.905 905 HA3 GLY 115 2HA GLY 115 14.840 -7.735 -1.626 906 HA PRO 116 HA PRO 116 18.618 -6.138 -0.056 907 HB2 PRO 116 1HB PRO 116 17.650 -4.090 1.440 908 HB3 PRO 116 2HB PRO 116 17.682 -4.057 -0.327 909 HG2 PRO 116 1HG PRO 116 15.410 -4.695 1.515 910 HG3 PRO 116 2HG PRO 116 15.414 -3.704 0.044 911 HD2 PRO 116 1HD PRO 116 14.523 -6.261 0.076 912 HD3 PRO 116 2HD PRO 116 15.308 -5.541 -1.345 913 H SER 117 H SER 117 19.287 -7.867 1.274 914 HA SER 117 HA SER 117 18.303 -8.660 3.706 915 HB2 SER 117 1HB SER 117 21.159 -8.515 2.734 916 HB3 SER 117 2HB SER 117 20.708 -9.280 4.258 917 HG SER 117 HG SER 117 20.831 -10.715 2.403 918 H SER 118 H SER 118 20.912 -6.267 3.255 919 HA SER 118 HA SER 118 19.981 -4.905 5.683 920 HB2 SER 118 1HB SER 118 21.910 -6.362 6.273 921 HB3 SER 118 2HB SER 118 22.891 -5.499 5.088 922 HG SER 118 HG SER 118 22.852 -3.716 6.329 923 H GLY 119 H GLY 119 19.490 -2.888 5.151 924 HA2 GLY 119 1HA GLY 119 20.930 -0.832 4.384 925 HA3 GLY 119 2HA GLY 119 20.797 -1.656 2.838 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.689 -15.881 -17.288 2 HA2 GLY 1 1HA GLY 1 0.767 -13.660 -17.111 3 HA3 GLY 1 2HA GLY 1 1.242 -13.646 -15.419 4 H SER 2 H SER 2 2.903 -12.371 -14.996 5 HA SER 2 HA SER 2 5.064 -12.163 -16.979 6 HB2 SER 2 1HB SER 2 3.784 -10.145 -17.252 7 HB3 SER 2 2HB SER 2 3.719 -9.888 -15.508 8 HG SER 2 HG SER 2 6.213 -10.059 -16.782 9 H SER 3 H SER 3 7.070 -12.321 -16.169 10 HA SER 3 HA SER 3 7.346 -12.812 -13.319 11 HB2 SER 3 1HB SER 3 9.005 -13.333 -15.742 12 HB3 SER 3 2HB SER 3 9.833 -13.196 -14.191 13 HG SER 3 HG SER 3 8.923 -15.351 -14.976 14 H GLY 4 H GLY 4 9.205 -11.875 -12.132 15 HA2 GLY 4 1HA GLY 4 9.949 -9.192 -13.085 16 HA3 GLY 4 2HA GLY 4 9.227 -9.374 -11.494 17 H SER 5 H SER 5 11.595 -8.178 -11.540 18 HA SER 5 HA SER 5 13.906 -9.716 -11.523 19 HB2 SER 5 1HB SER 5 13.231 -7.289 -9.845 20 HB3 SER 5 2HB SER 5 14.853 -7.951 -10.043 21 HG SER 5 HG SER 5 13.818 -6.166 -11.539 22 H SER 6 H SER 6 15.113 -10.690 -9.856 23 HA SER 6 HA SER 6 13.529 -12.137 -7.967 24 HB2 SER 6 1HB SER 6 15.552 -13.291 -7.399 25 HB3 SER 6 2HB SER 6 15.580 -13.030 -9.143 26 HG SER 6 HG SER 6 16.887 -11.138 -8.677 27 H GLY 7 H GLY 7 16.010 -9.607 -7.705 28 HA2 GLY 7 1HA GLY 7 15.075 -9.135 -4.941 29 HA3 GLY 7 2HA GLY 7 16.765 -9.000 -5.404 30 HA PRO 8 HA PRO 8 14.323 -4.928 -5.899 31 HB2 PRO 8 1HB PRO 8 15.154 -3.665 -3.643 32 HB3 PRO 8 2HB PRO 8 13.684 -4.644 -3.710 33 HG2 PRO 8 1HG PRO 8 16.401 -5.373 -2.685 34 HG3 PRO 8 2HG PRO 8 14.810 -5.720 -1.983 35 HD2 PRO 8 1HD PRO 8 16.214 -7.559 -3.389 36 HD3 PRO 8 2HD PRO 8 14.440 -7.508 -3.389 37 H ASN 9 H ASN 9 15.536 -4.042 -7.472 38 HA ASN 9 HA ASN 9 18.356 -3.443 -6.930 39 HB2 ASN 9 1HB ASN 9 18.239 -4.615 -8.948 40 HB3 ASN 9 2HB ASN 9 16.762 -3.798 -9.449 41 HD21 ASN 9 1HD2 ASN 9 17.458 -3.055 -11.385 42 HD22 ASN 9 2HD2 ASN 9 18.720 -1.890 -11.574 43 H ALA 10 H ALA 10 15.430 -1.931 -8.273 44 HA ALA 10 HA ALA 10 16.363 0.646 -7.244 45 HB1 ALA 10 1HB ALA 10 15.598 0.091 -10.097 46 HB2 ALA 10 2HB ALA 10 15.574 1.713 -9.404 47 HB3 ALA 10 3HB ALA 10 17.087 0.809 -9.481 48 H SER 11 H SER 11 14.593 2.315 -7.351 49 HA SER 11 HA SER 11 12.426 1.683 -5.881 50 HB2 SER 11 1HB SER 11 11.367 3.708 -6.641 51 HB3 SER 11 2HB SER 11 13.107 3.992 -6.607 52 HG SER 11 HG SER 11 13.022 3.399 -8.917 53 H GLN 12 H GLN 12 12.623 1.471 -9.408 54 HA GLN 12 HA GLN 12 10.111 0.979 -10.215 55 HB2 GLN 12 1HB GLN 12 11.866 0.832 -11.811 56 HB3 GLN 12 2HB GLN 12 12.624 -0.508 -10.960 57 HG2 GLN 12 1HG GLN 12 10.867 -1.995 -11.596 58 HG3 GLN 12 2HG GLN 12 9.924 -0.668 -12.272 59 HE21 GLN 12 1HE2 GLN 12 10.249 -2.658 -13.917 60 HE22 GLN 12 2HE2 GLN 12 11.449 -2.339 -15.119 61 H SER 13 H SER 13 12.191 -1.431 -8.637 62 HA SER 13 HA SER 13 10.743 -3.692 -8.712 63 HB2 SER 13 1HB SER 13 12.053 -2.529 -6.243 64 HB3 SER 13 2HB SER 13 11.556 -4.212 -6.416 65 HG SER 13 HG SER 13 13.320 -2.961 -8.239 66 H LEU 14 H LEU 14 10.282 -1.372 -6.040 67 HA LEU 14 HA LEU 14 8.019 -2.445 -4.929 68 HB2 LEU 14 1HB LEU 14 9.393 -0.457 -4.151 69 HB3 LEU 14 2HB LEU 14 8.418 0.519 -5.247 70 HG LEU 14 HG LEU 14 6.395 -0.253 -3.962 71 HD11 LEU 14 1HD1 LEU 14 8.556 -1.506 -2.330 72 HD12 LEU 14 2HD1 LEU 14 6.985 -2.152 -2.803 73 HD13 LEU 14 3HD1 LEU 14 7.089 -0.923 -1.543 74 HD21 LEU 14 1HD2 LEU 14 8.018 1.863 -3.577 75 HD22 LEU 14 2HD2 LEU 14 8.091 1.118 -1.979 76 HD23 LEU 14 3HD2 LEU 14 6.534 1.586 -2.665 77 H LEU 15 H LEU 15 8.042 0.174 -7.355 78 HA LEU 15 HA LEU 15 5.349 0.434 -7.778 79 HB2 LEU 15 1HB LEU 15 7.403 1.632 -8.849 80 HB3 LEU 15 2HB LEU 15 7.202 0.430 -10.123 81 HG LEU 15 HG LEU 15 4.712 1.336 -10.079 82 HD11 LEU 15 1HD1 LEU 15 4.438 3.542 -9.437 83 HD12 LEU 15 2HD1 LEU 15 6.172 3.862 -9.422 84 HD13 LEU 15 3HD1 LEU 15 5.444 2.888 -8.145 85 HD21 LEU 15 1HD2 LEU 15 5.283 1.990 -12.123 86 HD22 LEU 15 2HD2 LEU 15 6.965 1.676 -11.691 87 HD23 LEU 15 3HD2 LEU 15 6.288 3.293 -11.487 88 H VAL 16 H VAL 16 7.460 -2.126 -8.861 89 HA VAL 16 HA VAL 16 5.485 -3.271 -10.638 90 HB VAL 16 HB VAL 16 8.129 -4.386 -9.691 91 HG11 VAL 16 1HG1 VAL 16 6.180 -5.911 -10.619 92 HG12 VAL 16 2HG1 VAL 16 6.774 -5.314 -12.169 93 HG13 VAL 16 3HG1 VAL 16 7.860 -6.178 -11.081 94 HG21 VAL 16 1HG2 VAL 16 9.144 -3.202 -11.285 95 HG22 VAL 16 2HG2 VAL 16 7.917 -3.615 -12.482 96 HG23 VAL 16 3HG2 VAL 16 7.660 -2.254 -11.390 97 H TRP 17 H TRP 17 6.790 -3.897 -7.423 98 HA TRP 17 HA TRP 17 5.555 -6.382 -6.982 99 HB2 TRP 17 1HB TRP 17 7.378 -5.450 -5.577 100 HB3 TRP 17 2HB TRP 17 6.244 -4.269 -4.930 101 HD1 TRP 17 HD TRP 17 7.195 -7.950 -4.694 102 HE1 TRP 17 1HE TRP 17 5.989 -8.993 -2.674 103 HE3 TRP 17 3HE TRP 17 4.107 -4.057 -3.493 104 HZ2 TRP 17 2HZ TRP 17 3.992 -8.263 -0.817 105 HZ3 TRP 17 3HZ TRP 17 2.579 -4.310 -1.581 106 HH2 TRP 17 HH TRP 17 2.523 -6.371 -0.273 107 H CYS 18 H CYS 18 4.478 -3.078 -6.270 108 HA CYS 18 HA CYS 18 2.048 -3.843 -5.028 109 HB2 CYS 18 1HB CYS 18 1.394 -1.441 -5.481 110 HB3 CYS 18 2HB CYS 18 2.880 -1.661 -4.564 111 HG CYS 18 HG CYS 18 4.287 -0.156 -6.079 112 H LYS 19 H LYS 19 2.887 -2.905 -8.336 113 HA LYS 19 HA LYS 19 0.232 -2.975 -9.335 114 HB2 LYS 19 1HB LYS 19 2.924 -3.132 -10.689 115 HB3 LYS 19 2HB LYS 19 1.408 -3.132 -11.582 116 HG2 LYS 19 1HG LYS 19 0.919 -0.940 -11.005 117 HG3 LYS 19 2HG LYS 19 2.019 -0.954 -9.625 118 HD2 LYS 19 1HD LYS 19 3.284 0.248 -11.097 119 HD3 LYS 19 2HD LYS 19 3.812 -1.380 -11.531 120 HE2 LYS 19 1HE LYS 19 1.867 -1.302 -13.231 121 HE3 LYS 19 2HE LYS 19 1.915 0.441 -12.969 122 HZ1 LYS 19 1HZ LYS 19 4.162 -1.251 -13.923 123 HZ2 LYS 19 2HZ LYS 19 4.267 0.407 -13.604 124 HZ3 LYS 19 3HZ LYS 19 3.271 -0.153 -14.851 125 H GLU 20 H GLU 20 2.806 -5.364 -9.090 126 HA GLU 20 HA GLU 20 1.695 -7.355 -10.713 127 HB2 GLU 20 1HB GLU 20 4.029 -7.262 -9.677 128 HB3 GLU 20 2HB GLU 20 3.290 -7.905 -8.217 129 HG2 GLU 20 1HG GLU 20 2.373 -9.711 -9.919 130 HG3 GLU 20 2HG GLU 20 3.803 -9.216 -10.824 131 H VAL 21 H VAL 21 1.548 -7.061 -7.159 132 HA VAL 21 HA VAL 21 -0.238 -9.174 -6.737 133 HB VAL 21 HB VAL 21 -0.617 -8.277 -4.541 134 HG11 VAL 21 1HG1 VAL 21 1.985 -8.599 -5.674 135 HG12 VAL 21 2HG1 VAL 21 2.050 -7.372 -4.407 136 HG13 VAL 21 3HG1 VAL 21 1.428 -8.982 -4.045 137 HG21 VAL 21 1HG2 VAL 21 -0.362 -5.776 -5.850 138 HG22 VAL 21 2HG2 VAL 21 -0.846 -6.097 -4.185 139 HG23 VAL 21 3HG2 VAL 21 0.856 -5.846 -4.575 140 H THR 22 H THR 22 -0.765 -5.922 -7.812 141 HA THR 22 HA THR 22 -3.669 -6.221 -7.486 142 HB THR 22 HB THR 22 -3.800 -3.806 -8.004 143 HG1 THR 22 1HG THR 22 -0.966 -4.060 -8.119 144 HG21 THR 22 1HG2 THR 22 -2.726 -2.996 -5.920 145 HG22 THR 22 2HG2 THR 22 -1.908 -4.551 -5.771 146 HG23 THR 22 3HG2 THR 22 -3.667 -4.467 -5.681 147 H LYS 23 H LYS 23 -2.028 -7.571 -9.551 148 HA LYS 23 HA LYS 23 -2.517 -6.280 -12.050 149 HB2 LYS 23 1HB LYS 23 -1.770 -8.367 -13.055 150 HB3 LYS 23 2HB LYS 23 -0.696 -7.908 -11.740 151 HG2 LYS 23 1HG LYS 23 -1.859 -9.508 -10.270 152 HG3 LYS 23 2HG LYS 23 -2.857 -10.003 -11.639 153 HD2 LYS 23 1HD LYS 23 -0.985 -10.883 -12.799 154 HD3 LYS 23 2HD LYS 23 0.151 -10.121 -11.684 155 HE2 LYS 23 1HE LYS 23 -0.228 -11.671 -10.028 156 HE3 LYS 23 2HE LYS 23 -1.845 -12.059 -10.614 157 HZ1 LYS 23 1HZ LYS 23 0.331 -13.586 -11.002 158 HZ2 LYS 23 2HZ LYS 23 0.279 -12.718 -12.452 159 HZ3 LYS 23 3HZ LYS 23 -1.057 -13.636 -11.967 160 H ASN 24 H ASN 24 -4.327 -6.229 -13.208 161 HA ASN 24 HA ASN 24 -6.350 -6.818 -14.093 162 HB2 ASN 24 1HB ASN 24 -6.307 -9.349 -12.458 163 HB3 ASN 24 2HB ASN 24 -7.136 -9.046 -13.982 164 HD21 ASN 24 1HD2 ASN 24 -4.837 -10.844 -12.817 165 HD22 ASN 24 2HD2 ASN 24 -3.698 -10.855 -14.116 166 H TYR 25 H TYR 25 -6.025 -5.298 -11.673 167 HA TYR 25 HA TYR 25 -8.302 -6.085 -10.021 168 HB2 TYR 25 1HB TYR 25 -5.966 -4.284 -9.680 169 HB3 TYR 25 2HB TYR 25 -7.448 -3.826 -8.847 170 HD1 TYR 25 2HD TYR 25 -5.458 -6.946 -9.422 171 HD2 TYR 25 1HD TYR 25 -7.620 -4.531 -6.666 172 HE1 TYR 25 2HE TYR 25 -4.932 -8.539 -7.624 173 HE2 TYR 25 1HE TYR 25 -7.098 -6.117 -4.859 174 HH TYR 25 HH TYR 25 -4.810 -8.673 -5.261 175 H ARG 26 H ARG 26 -9.420 -3.861 -9.157 176 HA ARG 26 HA ARG 26 -10.433 -2.555 -11.595 177 HB2 ARG 26 1HB ARG 26 -11.804 -3.192 -8.983 178 HB3 ARG 26 2HB ARG 26 -12.498 -2.124 -10.196 179 HG2 ARG 26 1HG ARG 26 -11.654 -4.899 -10.921 180 HG3 ARG 26 2HG ARG 26 -13.210 -4.600 -10.144 181 HD2 ARG 26 1HD ARG 26 -12.323 -3.143 -12.621 182 HD3 ARG 26 2HD ARG 26 -13.196 -4.673 -12.681 183 HE ARG 26 HE ARG 26 -14.697 -3.037 -11.064 184 HH11 ARG 26 1HH1 ARG 26 -13.520 -2.940 -14.339 185 HH12 ARG 26 2HH1 ARG 26 -14.853 -2.003 -14.929 186 HH21 ARG 26 1HH2 ARG 26 -16.457 -1.804 -11.828 187 HH22 ARG 26 2HH2 ARG 26 -16.523 -1.357 -13.500 188 H GLY 27 H GLY 27 -9.247 -0.714 -11.730 189 HA2 GLY 27 1HA GLY 27 -8.840 1.519 -11.275 190 HA3 GLY 27 2HA GLY 27 -9.801 1.359 -9.812 191 H VAL 28 H VAL 28 -6.819 -0.232 -10.939 192 HA VAL 28 HA VAL 28 -5.456 0.823 -8.555 193 HB VAL 28 HB VAL 28 -5.304 -2.015 -9.578 194 HG11 VAL 28 1HG1 VAL 28 -3.476 -0.425 -7.934 195 HG12 VAL 28 2HG1 VAL 28 -3.934 -1.973 -7.222 196 HG13 VAL 28 3HG1 VAL 28 -3.194 -1.922 -8.823 197 HG21 VAL 28 1HG2 VAL 28 -7.296 -1.455 -8.215 198 HG22 VAL 28 2HG2 VAL 28 -6.241 -2.641 -7.447 199 HG23 VAL 28 3HG2 VAL 28 -6.223 -0.963 -6.905 200 H LYS 29 H LYS 29 -4.519 2.393 -9.958 201 HA LYS 29 HA LYS 29 -2.415 1.294 -11.705 202 HB2 LYS 29 1HB LYS 29 -4.277 2.524 -12.885 203 HB3 LYS 29 2HB LYS 29 -3.760 3.978 -12.040 204 HG2 LYS 29 1HG LYS 29 -1.423 3.312 -13.091 205 HG3 LYS 29 2HG LYS 29 -2.467 2.512 -14.269 206 HD2 LYS 29 1HD LYS 29 -3.056 5.330 -13.487 207 HD3 LYS 29 2HD LYS 29 -1.726 5.010 -14.603 208 HE2 LYS 29 1HE LYS 29 -3.277 3.775 -16.061 209 HE3 LYS 29 2HE LYS 29 -4.597 4.150 -14.955 210 HZ1 LYS 29 1HZ LYS 29 -3.408 5.780 -16.984 211 HZ2 LYS 29 2HZ LYS 29 -3.484 6.575 -15.494 212 HZ3 LYS 29 3HZ LYS 29 -4.894 5.956 -16.195 213 H ILE 30 H ILE 30 -0.958 1.272 -9.927 214 HA ILE 30 HA ILE 30 -0.380 3.481 -8.298 215 HB ILE 30 HB ILE 30 1.421 1.203 -9.127 216 HG12 ILE 30 1HG1 ILE 30 0.797 0.684 -6.577 217 HG13 ILE 30 2HG1 ILE 30 -0.650 1.582 -7.023 218 HG21 ILE 30 1HG2 ILE 30 2.091 3.593 -7.808 219 HG22 ILE 30 2HG2 ILE 30 2.056 2.334 -6.575 220 HG23 ILE 30 3HG2 ILE 30 3.082 2.147 -7.997 221 HD11 ILE 30 1HD1 ILE 30 -0.193 -0.253 -9.094 222 HD12 ILE 30 2HD1 ILE 30 0.036 -1.129 -7.580 223 HD13 ILE 30 3HD1 ILE 30 -1.475 -0.274 -7.884 224 H THR 31 H THR 31 -0.452 5.199 -9.925 225 HA THR 31 HA THR 31 1.685 5.393 -11.842 226 HB THR 31 HB THR 31 0.809 7.766 -12.119 227 HG1 THR 31 1HG THR 31 -1.492 6.944 -10.742 228 HG21 THR 31 1HG2 THR 31 0.133 5.847 -13.546 229 HG22 THR 31 2HG2 THR 31 -1.135 7.059 -13.366 230 HG23 THR 31 3HG2 THR 31 -1.218 5.553 -12.452 231 H ASN 32 H ASN 32 0.994 6.671 -8.641 232 HA ASN 32 HA ASN 32 3.770 7.588 -8.469 233 HB2 ASN 32 1HB ASN 32 1.522 9.270 -7.372 234 HB3 ASN 32 2HB ASN 32 3.211 9.716 -7.595 235 HD21 ASN 32 1HD2 ASN 32 0.293 10.365 -8.704 236 HD22 ASN 32 2HD2 ASN 32 0.633 10.704 -10.364 237 H PHE 33 H PHE 33 4.049 8.428 -6.023 238 HA PHE 33 HA PHE 33 2.935 6.299 -4.317 239 HB2 PHE 33 1HB PHE 33 5.682 7.508 -4.435 240 HB3 PHE 33 2HB PHE 33 5.101 6.757 -2.953 241 HD1 PHE 33 2HD PHE 33 4.359 4.340 -3.046 242 HD2 PHE 33 1HD PHE 33 6.538 6.220 -6.182 243 HE1 PHE 33 2HE PHE 33 5.018 2.132 -3.907 244 HE2 PHE 33 1HE PHE 33 7.199 4.014 -7.049 245 HZ PHE 33 HZ PHE 33 6.440 1.966 -5.911 246 H THR 34 H THR 34 1.821 8.953 -4.811 247 HA THR 34 HA THR 34 1.908 9.971 -2.048 248 HB THR 34 HB THR 34 1.447 12.258 -3.014 249 HG1 THR 34 1HG THR 34 2.461 11.137 -5.423 250 HG21 THR 34 1HG2 THR 34 3.619 12.651 -2.688 251 HG22 THR 34 2HG2 THR 34 4.055 11.766 -4.150 252 HG23 THR 34 3HG2 THR 34 3.861 10.906 -2.624 253 H THR 35 H THR 35 0.014 10.424 -5.041 254 HA THR 35 HA THR 35 -2.429 10.616 -3.487 255 HB THR 35 HB THR 35 -3.531 11.073 -5.645 256 HG1 THR 35 1HG THR 35 -1.786 11.436 -7.395 257 HG21 THR 35 1HG2 THR 35 -1.010 12.712 -5.451 258 HG22 THR 35 2HG2 THR 35 -2.335 12.857 -4.296 259 HG23 THR 35 3HG2 THR 35 -2.605 13.227 -5.999 260 H SER 36 H SER 36 -1.112 8.529 -6.049 261 HA SER 36 HA SER 36 -3.117 6.796 -6.537 262 HB2 SER 36 1HB SER 36 -0.168 6.416 -6.290 263 HB3 SER 36 2HB SER 36 -1.176 4.978 -6.451 264 HG SER 36 HG SER 36 -1.675 7.082 -8.202 265 H TRP 37 H TRP 37 -1.363 7.097 -3.550 266 HA TRP 37 HA TRP 37 -2.806 4.784 -2.447 267 HB2 TRP 37 1HB TRP 37 -0.470 6.234 -1.195 268 HB3 TRP 37 2HB TRP 37 -1.142 4.676 -0.723 269 HD1 TRP 37 HD TRP 37 1.027 6.294 -3.445 270 HE1 TRP 37 1HE TRP 37 2.339 4.438 -4.652 271 HE3 TRP 37 3HE TRP 37 -1.162 2.213 -1.279 272 HZ2 TRP 37 2HZ TRP 37 2.434 1.617 -4.682 273 HZ3 TRP 37 3HZ TRP 37 -0.403 -0.029 -1.953 274 HH2 TRP 37 HH TRP 37 1.358 -0.318 -3.619 275 H ARG 38 H ARG 38 -2.411 8.220 -2.242 276 HA ARG 38 HA ARG 38 -3.179 9.038 0.172 277 HB2 ARG 38 1HB ARG 38 -2.992 10.677 -1.523 278 HB3 ARG 38 2HB ARG 38 -4.248 9.927 -2.498 279 HG2 ARG 38 1HG ARG 38 -5.957 10.743 -1.153 280 HG3 ARG 38 2HG ARG 38 -4.872 11.044 0.206 281 HD2 ARG 38 1HD ARG 38 -5.123 13.179 -0.556 282 HD3 ARG 38 2HD ARG 38 -3.738 12.685 -1.528 283 HE ARG 38 HE ARG 38 -5.057 12.770 -3.406 284 HH11 ARG 38 1HH1 ARG 38 -7.061 12.932 -0.563 285 HH12 ARG 38 2HH1 ARG 38 -8.501 13.327 -1.442 286 HH21 ARG 38 1HH2 ARG 38 -6.946 13.290 -4.573 287 HH22 ARG 38 2HH2 ARG 38 -8.435 13.530 -3.723 288 H ASN 39 H ASN 39 -5.467 7.736 -2.221 289 HA ASN 39 HA ASN 39 -7.741 7.903 -0.554 290 HB2 ASN 39 1HB ASN 39 -8.535 6.012 -2.220 291 HB3 ASN 39 2HB ASN 39 -8.341 7.675 -2.768 292 HD21 ASN 39 1HD2 ASN 39 -8.222 6.495 -4.854 293 HD22 ASN 39 2HD2 ASN 39 -6.667 5.960 -5.384 294 H GLY 40 H GLY 40 -5.717 5.101 -1.444 295 HA2 GLY 40 1HA GLY 40 -5.017 3.706 0.514 296 HA3 GLY 40 2HA GLY 40 -6.705 3.765 1.000 297 H LEU 41 H LEU 41 -7.039 3.618 -2.166 298 HA LEU 41 HA LEU 41 -7.950 1.007 -2.289 299 HB2 LEU 41 1HB LEU 41 -6.890 2.702 -4.545 300 HB3 LEU 41 2HB LEU 41 -7.884 1.259 -4.730 301 HG LEU 41 HG LEU 41 -8.739 3.861 -3.463 302 HD11 LEU 41 1HD1 LEU 41 -10.368 3.727 -5.456 303 HD12 LEU 41 2HD1 LEU 41 -9.191 2.609 -6.145 304 HD13 LEU 41 3HD1 LEU 41 -8.712 4.260 -5.749 305 HD21 LEU 41 1HD2 LEU 41 -10.279 1.313 -3.950 306 HD22 LEU 41 2HD2 LEU 41 -10.967 2.836 -3.387 307 HD23 LEU 41 3HD2 LEU 41 -9.808 1.965 -2.381 308 H SER 42 H SER 42 -4.925 2.236 -3.732 309 HA SER 42 HA SER 42 -3.863 -0.187 -4.531 310 HB2 SER 42 1HB SER 42 -2.247 2.127 -3.445 311 HB3 SER 42 2HB SER 42 -1.715 0.906 -4.600 312 HG SER 42 HG SER 42 -3.794 1.885 -5.723 313 H PHE 43 H PHE 43 -3.872 1.297 -1.356 314 HA PHE 43 HA PHE 43 -1.973 -0.402 -0.139 315 HB2 PHE 43 1HB PHE 43 -4.067 1.484 0.808 316 HB3 PHE 43 2HB PHE 43 -3.477 0.295 1.964 317 HD1 PHE 43 2HD PHE 43 -0.737 0.059 1.718 318 HD2 PHE 43 1HD PHE 43 -3.090 3.535 1.016 319 HE1 PHE 43 2HE PHE 43 1.224 1.473 2.172 320 HE2 PHE 43 1HE PHE 43 -1.132 4.956 1.468 321 HZ PHE 43 HZ PHE 43 1.028 3.925 2.048 322 H CYS 44 H CYS 44 -5.536 -0.477 -0.062 323 HA CYS 44 HA CYS 44 -5.699 -2.933 1.331 324 HB2 CYS 44 1HB CYS 44 -7.687 -1.430 -0.372 325 HB3 CYS 44 2HB CYS 44 -8.088 -2.924 0.466 326 HG CYS 44 HG CYS 44 -7.562 0.166 1.736 327 H ALA 45 H ALA 45 -6.300 -2.183 -2.105 328 HA ALA 45 HA ALA 45 -6.868 -4.547 -3.202 329 HB1 ALA 45 1HB ALA 45 -6.321 -2.344 -4.368 330 HB2 ALA 45 2HB ALA 45 -4.655 -2.923 -4.416 331 HB3 ALA 45 3HB ALA 45 -5.929 -3.835 -5.226 332 H ILE 46 H ILE 46 -3.737 -3.676 -1.878 333 HA ILE 46 HA ILE 46 -2.329 -5.942 -2.860 334 HB ILE 46 HB ILE 46 -1.758 -4.019 -0.614 335 HG12 ILE 46 1HG1 ILE 46 -0.249 -4.470 -3.188 336 HG13 ILE 46 2HG1 ILE 46 -1.592 -3.339 -3.066 337 HG21 ILE 46 1HG2 ILE 46 0.598 -5.388 -1.231 338 HG22 ILE 46 2HG2 ILE 46 -0.336 -5.483 0.261 339 HG23 ILE 46 3HG2 ILE 46 -0.636 -6.633 -1.041 340 HD11 ILE 46 1HD1 ILE 46 0.855 -3.196 -1.330 341 HD12 ILE 46 2HD1 ILE 46 0.678 -2.326 -2.855 342 HD13 ILE 46 3HD1 ILE 46 -0.415 -1.986 -1.513 343 H LEU 47 H LEU 47 -3.503 -5.164 0.421 344 HA LEU 47 HA LEU 47 -2.952 -7.664 1.548 345 HB2 LEU 47 1HB LEU 47 -3.475 -5.579 2.796 346 HB3 LEU 47 2HB LEU 47 -5.163 -5.770 2.326 347 HG LEU 47 HG LEU 47 -5.158 -7.958 3.559 348 HD11 LEU 47 1HD1 LEU 47 -3.385 -8.285 5.232 349 HD12 LEU 47 2HD1 LEU 47 -2.496 -6.932 4.533 350 HD13 LEU 47 3HD1 LEU 47 -2.778 -8.388 3.579 351 HD21 LEU 47 1HD2 LEU 47 -4.429 -5.718 5.408 352 HD22 LEU 47 2HD2 LEU 47 -5.667 -6.961 5.595 353 HD23 LEU 47 3HD2 LEU 47 -5.900 -5.649 4.438 354 H HIS 48 H HIS 48 -5.474 -6.652 -0.559 355 HA HIS 48 HA HIS 48 -7.315 -8.752 0.117 356 HB2 HIS 48 1HB HIS 48 -7.838 -6.458 -0.965 357 HB3 HIS 48 2HB HIS 48 -7.344 -7.223 -2.473 358 HD1 HIS 48 1HD HIS 48 -8.942 -8.929 -3.511 359 HD2 HIS 48 2HD HIS 48 -10.257 -7.423 0.130 360 HE1 HIS 48 1HE HIS 48 -11.335 -9.672 -3.302 361 HE2 HIS 48 2HE HIS 48 -12.135 -8.677 -1.131 362 H HIS 49 H HIS 49 -4.730 -8.281 -2.192 363 HA HIS 49 HA HIS 49 -5.241 -10.267 -4.037 364 HB2 HIS 49 1HB HIS 49 -3.306 -8.570 -3.948 365 HB3 HIS 49 2HB HIS 49 -2.469 -9.773 -2.972 366 HD1 HIS 49 1HD HIS 49 -4.558 -10.362 -6.087 367 HD2 HIS 49 2HD HIS 49 -0.649 -10.756 -4.735 368 HE1 HIS 49 1HE HIS 49 -3.322 -11.534 -7.937 369 HE2 HIS 49 2HE HIS 49 -0.980 -11.837 -7.061 370 H PHE 50 H PHE 50 -3.274 -10.610 -1.080 371 HA PHE 50 HA PHE 50 -3.045 -13.430 -1.320 372 HB2 PHE 50 1HB PHE 50 -2.726 -11.839 1.225 373 HB3 PHE 50 2HB PHE 50 -1.966 -13.372 0.808 374 HD1 PHE 50 2HD PHE 50 -1.981 -9.753 0.152 375 HD2 PHE 50 1HD PHE 50 0.017 -13.455 -0.500 376 HE1 PHE 50 2HE PHE 50 -0.028 -8.541 -0.724 377 HE2 PHE 50 1HE PHE 50 1.974 -12.248 -1.376 378 HZ PHE 50 HZ PHE 50 1.953 -9.788 -1.490 379 H ARG 51 H ARG 51 -5.077 -11.327 0.694 380 HA ARG 51 HA ARG 51 -6.937 -13.575 1.025 381 HB2 ARG 51 1HB ARG 51 -5.364 -12.948 3.067 382 HB3 ARG 51 2HB ARG 51 -6.566 -11.687 3.304 383 HG2 ARG 51 1HG ARG 51 -7.460 -13.318 4.608 384 HG3 ARG 51 2HG ARG 51 -8.234 -13.718 3.073 385 HD2 ARG 51 1HD ARG 51 -6.260 -15.276 2.672 386 HD3 ARG 51 2HD ARG 51 -5.870 -15.040 4.375 387 HE ARG 51 HE ARG 51 -8.579 -15.810 4.058 388 HH11 ARG 51 1HH1 ARG 51 -5.331 -17.059 3.974 389 HH12 ARG 51 2HH1 ARG 51 -5.799 -18.667 4.418 390 HH21 ARG 51 1HH2 ARG 51 -9.208 -17.923 4.644 391 HH22 ARG 51 2HH2 ARG 51 -8.004 -19.157 4.798 392 HA PRO 52 HA PRO 52 -9.376 -10.112 -0.584 393 HB2 PRO 52 1HB PRO 52 -11.376 -11.688 -1.526 394 HB3 PRO 52 2HB PRO 52 -9.869 -11.420 -2.408 395 HG2 PRO 52 1HG PRO 52 -10.673 -13.738 -0.693 396 HG3 PRO 52 2HG PRO 52 -9.845 -13.740 -2.262 397 HD2 PRO 52 1HD PRO 52 -8.528 -14.066 0.081 398 HD3 PRO 52 2HD PRO 52 -7.795 -13.262 -1.322 399 H ASP 53 H ASP 53 -9.675 -12.041 2.059 400 HA ASP 53 HA ASP 53 -12.390 -11.122 2.708 401 HB2 ASP 53 1HB ASP 53 -10.794 -13.115 4.306 402 HB3 ASP 53 2HB ASP 53 -12.538 -12.872 4.288 403 H LEU 54 H LEU 54 -9.074 -11.208 3.932 404 HA LEU 54 HA LEU 54 -9.256 -10.112 6.395 405 HB2 LEU 54 1HB LEU 54 -7.301 -9.787 4.186 406 HB3 LEU 54 2HB LEU 54 -7.161 -8.700 5.567 407 HG LEU 54 HG LEU 54 -7.104 -11.712 5.739 408 HD11 LEU 54 1HD1 LEU 54 -5.170 -10.489 4.541 409 HD12 LEU 54 2HD1 LEU 54 -4.790 -11.645 5.818 410 HD13 LEU 54 3HD1 LEU 54 -4.749 -9.914 6.155 411 HD21 LEU 54 1HD2 LEU 54 -7.687 -9.867 7.693 412 HD22 LEU 54 2HD2 LEU 54 -5.957 -10.139 7.904 413 HD23 LEU 54 3HD2 LEU 54 -7.077 -11.501 7.961 414 H ILE 55 H ILE 55 -9.772 -8.450 3.351 415 HA ILE 55 HA ILE 55 -10.613 -6.067 4.869 416 HB ILE 55 HB ILE 55 -9.760 -5.750 2.039 417 HG12 ILE 55 1HG1 ILE 55 -7.406 -5.244 3.186 418 HG13 ILE 55 2HG1 ILE 55 -7.958 -6.496 4.293 419 HG21 ILE 55 1HG2 ILE 55 -10.217 -4.115 4.398 420 HG22 ILE 55 2HG2 ILE 55 -8.703 -3.728 3.584 421 HG23 ILE 55 3HG2 ILE 55 -10.223 -3.668 2.692 422 HD11 ILE 55 1HD1 ILE 55 -6.783 -6.779 1.731 423 HD12 ILE 55 2HD1 ILE 55 -7.292 -8.036 2.860 424 HD13 ILE 55 3HD1 ILE 55 -8.427 -7.415 1.662 425 H ASP 56 H ASP 56 -11.929 -4.608 3.139 426 HA ASP 56 HA ASP 56 -14.014 -6.383 2.049 427 HB2 ASP 56 1HB ASP 56 -14.448 -4.756 4.095 428 HB3 ASP 56 2HB ASP 56 -14.634 -3.564 2.812 429 H TYR 57 H TYR 57 -11.660 -5.413 0.652 430 HA TYR 57 HA TYR 57 -12.098 -3.203 -0.965 431 HB2 TYR 57 1HB TYR 57 -10.001 -4.660 -0.767 432 HB3 TYR 57 2HB TYR 57 -10.760 -5.717 -1.952 433 HD1 TYR 57 2HD TYR 57 -11.406 -4.705 -4.206 434 HD2 TYR 57 1HD TYR 57 -8.813 -2.760 -1.451 435 HE1 TYR 57 2HE TYR 57 -10.542 -3.294 -6.025 436 HE2 TYR 57 1HE TYR 57 -7.942 -1.342 -3.262 437 HH TYR 57 HH TYR 57 -7.752 -1.361 -5.686 438 H LYS 58 H LYS 58 -13.544 -6.343 -1.065 439 HA LYS 58 HA LYS 58 -14.407 -6.408 -3.736 440 HB2 LYS 58 1HB LYS 58 -15.926 -8.125 -3.057 441 HB3 LYS 58 2HB LYS 58 -14.455 -8.324 -2.113 442 HG2 LYS 58 1HG LYS 58 -15.977 -8.564 -0.454 443 HG3 LYS 58 2HG LYS 58 -15.797 -6.809 -0.401 444 HD2 LYS 58 1HD LYS 58 -17.809 -6.461 -1.568 445 HD3 LYS 58 2HD LYS 58 -17.885 -8.142 -2.104 446 HE2 LYS 58 1HE LYS 58 -19.479 -7.977 -0.389 447 HE3 LYS 58 2HE LYS 58 -18.083 -8.748 0.361 448 HZ1 LYS 58 1HZ LYS 58 -18.496 -5.825 0.502 449 HZ2 LYS 58 2HZ LYS 58 -17.519 -6.798 1.481 450 HZ3 LYS 58 3HZ LYS 58 -19.203 -6.872 1.627 451 H SER 59 H SER 59 -15.396 -4.464 -1.113 452 HA SER 59 HA SER 59 -17.624 -3.432 -2.724 453 HB2 SER 59 1HB SER 59 -18.726 -4.760 -1.067 454 HB3 SER 59 2HB SER 59 -17.696 -4.126 0.217 455 HG SER 59 HG SER 59 -19.079 -2.576 0.441 456 H LEU 60 H LEU 60 -14.837 -2.561 -2.218 457 HA LEU 60 HA LEU 60 -15.194 -0.126 -0.652 458 HB2 LEU 60 1HB LEU 60 -12.846 -1.560 -1.817 459 HB3 LEU 60 2HB LEU 60 -12.704 0.141 -1.378 460 HG LEU 60 HG LEU 60 -13.161 -2.226 0.413 461 HD11 LEU 60 1HD1 LEU 60 -10.862 -1.189 -0.340 462 HD12 LEU 60 2HD1 LEU 60 -11.126 -1.725 1.319 463 HD13 LEU 60 3HD1 LEU 60 -11.242 -0.012 0.918 464 HD21 LEU 60 1HD2 LEU 60 -13.857 0.641 0.864 465 HD22 LEU 60 2HD2 LEU 60 -13.246 -0.328 2.205 466 HD23 LEU 60 3HD2 LEU 60 -14.716 -0.818 1.361 467 H ASN 61 H ASN 61 -13.768 1.766 -1.760 468 HA ASN 61 HA ASN 61 -13.991 2.048 -4.571 469 HB2 ASN 61 1HB ASN 61 -16.224 3.065 -2.871 470 HB3 ASN 61 2HB ASN 61 -15.702 4.052 -4.233 471 HD21 ASN 61 1HD2 ASN 61 -15.078 2.205 -6.111 472 HD22 ASN 61 2HD2 ASN 61 -16.486 1.309 -6.557 473 HA PRO 62 HA PRO 62 -11.193 5.346 -3.837 474 HB2 PRO 62 1HB PRO 62 -11.764 7.066 -5.858 475 HB3 PRO 62 2HB PRO 62 -10.946 5.521 -6.115 476 HG2 PRO 62 1HG PRO 62 -13.829 6.225 -6.505 477 HG3 PRO 62 2HG PRO 62 -12.763 5.259 -7.542 478 HD2 PRO 62 1HD PRO 62 -14.554 4.138 -5.848 479 HD3 PRO 62 2HD PRO 62 -13.003 3.370 -6.243 480 H GLN 63 H GLN 63 -14.340 5.635 -3.092 481 HA GLN 63 HA GLN 63 -14.467 8.506 -2.738 482 HB2 GLN 63 1HB GLN 63 -16.664 7.960 -1.622 483 HB3 GLN 63 2HB GLN 63 -16.531 7.471 -3.306 484 HG2 GLN 63 1HG GLN 63 -17.618 5.767 -1.939 485 HG3 GLN 63 2HG GLN 63 -16.110 5.184 -2.643 486 HE21 GLN 63 1HE2 GLN 63 -15.617 3.645 -1.174 487 HE22 GLN 63 2HE2 GLN 63 -15.275 3.965 0.489 488 H ASP 64 H ASP 64 -13.464 5.759 -0.945 489 HA ASP 64 HA ASP 64 -13.526 7.268 1.574 490 HB2 ASP 64 1HB ASP 64 -13.470 4.365 0.892 491 HB3 ASP 64 2HB ASP 64 -12.714 4.874 2.399 492 H ILE 65 H ILE 65 -11.747 8.364 2.041 493 HA ILE 65 HA ILE 65 -9.173 7.449 0.981 494 HB ILE 65 HB ILE 65 -9.851 10.085 2.289 495 HG12 ILE 65 1HG1 ILE 65 -9.534 9.370 -0.635 496 HG13 ILE 65 2HG1 ILE 65 -11.042 9.796 0.166 497 HG21 ILE 65 1HG2 ILE 65 -7.695 10.659 2.132 498 HG22 ILE 65 2HG2 ILE 65 -7.390 8.929 1.982 499 HG23 ILE 65 3HG2 ILE 65 -7.523 9.929 0.536 500 HD11 ILE 65 1HD1 ILE 65 -8.690 11.655 0.020 501 HD12 ILE 65 2HD1 ILE 65 -9.967 11.608 -1.196 502 HD13 ILE 65 3HD1 ILE 65 -10.352 12.032 0.472 503 H LYS 66 H LYS 66 -10.605 8.619 4.022 504 HA LYS 66 HA LYS 66 -8.326 7.953 5.599 505 HB2 LYS 66 1HB LYS 66 -10.212 9.646 6.105 506 HB3 LYS 66 2HB LYS 66 -11.115 8.252 6.684 507 HG2 LYS 66 1HG LYS 66 -9.715 7.920 8.481 508 HG3 LYS 66 2HG LYS 66 -8.362 8.757 7.716 509 HD2 LYS 66 1HD LYS 66 -9.080 10.255 9.353 510 HD3 LYS 66 2HD LYS 66 -9.844 10.856 7.880 511 HE2 LYS 66 1HE LYS 66 -11.812 9.300 8.637 512 HE3 LYS 66 2HE LYS 66 -11.058 9.459 10.222 513 HZ1 LYS 66 1HZ LYS 66 -12.754 11.135 9.903 514 HZ2 LYS 66 2HZ LYS 66 -11.986 11.698 8.505 515 HZ3 LYS 66 3HZ LYS 66 -11.233 11.868 10.011 516 H GLU 67 H GLU 67 -11.541 6.457 5.242 517 HA GLU 67 HA GLU 67 -11.143 4.290 6.940 518 HB2 GLU 67 1HB GLU 67 -13.330 4.915 5.994 519 HB3 GLU 67 2HB GLU 67 -12.794 4.377 4.409 520 HG2 GLU 67 1HG GLU 67 -12.844 2.141 5.005 521 HG3 GLU 67 2HG GLU 67 -12.769 2.496 6.730 522 H ASN 68 H ASN 68 -10.952 4.205 3.376 523 HA ASN 68 HA ASN 68 -10.034 1.741 2.887 524 HB2 ASN 68 1HB ASN 68 -9.133 4.352 1.690 525 HB3 ASN 68 2HB ASN 68 -8.516 2.813 1.097 526 HD21 ASN 68 1HD2 ASN 68 -9.604 3.874 -0.845 527 HD22 ASN 68 2HD2 ASN 68 -11.248 3.426 -1.126 528 H ASN 69 H ASN 69 -7.804 4.424 3.641 529 HA ASN 69 HA ASN 69 -5.487 2.888 3.839 530 HB2 ASN 69 1HB ASN 69 -6.328 5.563 4.853 531 HB3 ASN 69 2HB ASN 69 -4.858 4.856 5.515 532 HD21 ASN 69 1HD2 ASN 69 -6.449 5.889 2.567 533 HD22 ASN 69 2HD2 ASN 69 -5.005 6.137 1.652 534 H LYS 70 H LYS 70 -7.627 4.015 6.456 535 HA LYS 70 HA LYS 70 -6.372 2.890 8.620 536 HB2 LYS 70 1HB LYS 70 -8.304 4.322 8.880 537 HB3 LYS 70 2HB LYS 70 -9.337 3.138 8.089 538 HG2 LYS 70 1HG LYS 70 -9.818 2.841 10.329 539 HG3 LYS 70 2HG LYS 70 -8.636 1.570 10.009 540 HD2 LYS 70 1HD LYS 70 -6.959 2.654 11.172 541 HD3 LYS 70 2HD LYS 70 -7.707 4.241 10.975 542 HE2 LYS 70 1HE LYS 70 -9.201 3.895 12.700 543 HE3 LYS 70 2HE LYS 70 -9.110 2.140 12.567 544 HZ1 LYS 70 1HZ LYS 70 -7.173 2.058 13.765 545 HZ2 LYS 70 2HZ LYS 70 -7.951 3.353 14.524 546 HZ3 LYS 70 3HZ LYS 70 -6.727 3.647 13.395 547 H LYS 71 H LYS 71 -8.651 1.329 6.400 548 HA LYS 71 HA LYS 71 -8.963 -1.108 7.664 549 HB2 LYS 71 1HB LYS 71 -8.865 -0.402 4.734 550 HB3 LYS 71 2HB LYS 71 -9.239 -2.026 5.297 551 HG2 LYS 71 1HG LYS 71 -11.077 -0.907 6.692 552 HG3 LYS 71 2HG LYS 71 -10.819 0.493 5.649 553 HD2 LYS 71 1HD LYS 71 -11.663 -0.558 3.801 554 HD3 LYS 71 2HD LYS 71 -11.178 -2.161 4.358 555 HE2 LYS 71 1HE LYS 71 -13.496 -2.205 4.542 556 HE3 LYS 71 2HE LYS 71 -12.965 -1.831 6.181 557 HZ1 LYS 71 1HZ LYS 71 -13.862 0.183 4.191 558 HZ2 LYS 71 2HZ LYS 71 -13.442 0.483 5.802 559 HZ3 LYS 71 3HZ LYS 71 -14.820 -0.432 5.443 560 H ALA 72 H ALA 72 -6.476 -0.213 5.276 561 HA ALA 72 HA ALA 72 -5.101 -2.632 5.221 562 HB1 ALA 72 1HB ALA 72 -3.088 -0.985 4.729 563 HB2 ALA 72 2HB ALA 72 -4.383 -1.248 3.560 564 HB3 ALA 72 3HB ALA 72 -4.403 0.183 4.590 565 H TYR 73 H TYR 73 -3.878 0.272 6.886 566 HA TYR 73 HA TYR 73 -1.893 -0.699 8.373 567 HB2 TYR 73 1HB TYR 73 -4.038 1.069 9.563 568 HB3 TYR 73 2HB TYR 73 -2.359 0.959 10.079 569 HD1 TYR 73 1HD TYR 73 -0.889 1.057 7.565 570 HD2 TYR 73 2HD TYR 73 -4.347 3.225 8.766 571 HE1 TYR 73 1HE TYR 73 -0.289 2.864 6.007 572 HE2 TYR 73 2HE TYR 73 -3.758 5.038 7.211 573 HH TYR 73 HH TYR 73 -2.450 5.399 5.215 574 H ASP 74 H ASP 74 -5.314 -1.008 9.279 575 HA ASP 74 HA ASP 74 -4.990 -2.327 11.704 576 HB2 ASP 74 1HB ASP 74 -7.178 -2.462 9.633 577 HB3 ASP 74 2HB ASP 74 -7.279 -3.328 11.163 578 H GLY 75 H GLY 75 -5.256 -3.686 8.430 579 HA2 GLY 75 1HA GLY 75 -4.968 -6.393 9.350 580 HA3 GLY 75 2HA GLY 75 -4.953 -5.851 7.678 581 H PHE 76 H PHE 76 -2.865 -4.269 7.402 582 HA PHE 76 HA PHE 76 -0.678 -5.909 7.171 583 HB2 PHE 76 1HB PHE 76 -0.837 -2.912 7.473 584 HB3 PHE 76 2HB PHE 76 0.675 -3.748 7.135 585 HD1 PHE 76 1HD PHE 76 -0.048 -5.773 5.221 586 HD2 PHE 76 2HD PHE 76 -1.457 -1.773 5.575 587 HE1 PHE 76 1HE PHE 76 -0.571 -5.748 2.817 588 HE2 PHE 76 2HE PHE 76 -1.982 -1.741 3.172 589 HZ PHE 76 HZ PHE 76 -1.540 -3.731 1.789 590 H ALA 77 H ALA 77 -1.315 -3.593 9.797 591 HA ALA 77 HA ALA 77 0.986 -4.281 11.304 592 HB1 ALA 77 1HB ALA 77 0.331 -2.659 12.723 593 HB2 ALA 77 2HB ALA 77 -0.781 -2.248 11.416 594 HB3 ALA 77 3HB ALA 77 -1.338 -3.227 12.773 595 H SER 78 H SER 78 -2.150 -5.695 10.986 596 HA SER 78 HA SER 78 -2.471 -6.997 13.411 597 HB2 SER 78 1HB SER 78 -4.090 -6.915 11.443 598 HB3 SER 78 2HB SER 78 -3.163 -8.247 10.751 599 HG SER 78 HG SER 78 -3.597 -9.376 12.766 600 H ILE 79 H ILE 79 -0.632 -8.008 10.559 601 HA ILE 79 HA ILE 79 0.182 -10.500 11.718 602 HB ILE 79 HB ILE 79 1.832 -10.511 9.786 603 HG12 ILE 79 1HG1 ILE 79 0.207 -8.141 8.855 604 HG13 ILE 79 2HG1 ILE 79 1.811 -7.991 9.566 605 HG21 ILE 79 1HG2 ILE 79 0.263 -11.573 8.596 606 HG22 ILE 79 2HG2 ILE 79 -0.821 -11.157 9.923 607 HG23 ILE 79 3HG2 ILE 79 -0.756 -10.138 8.485 608 HD11 ILE 79 1HD1 ILE 79 1.790 -9.922 7.425 609 HD12 ILE 79 2HD1 ILE 79 1.197 -8.348 6.891 610 HD13 ILE 79 3HD1 ILE 79 2.787 -8.483 7.642 611 H GLY 80 H GLY 80 1.531 -7.267 11.479 612 HA2 GLY 80 1HA GLY 80 3.015 -6.954 13.583 613 HA3 GLY 80 2HA GLY 80 3.994 -8.183 12.797 614 H ILE 81 H ILE 81 2.268 -5.681 11.054 615 HA ILE 81 HA ILE 81 4.851 -4.641 10.129 616 HB ILE 81 HB ILE 81 2.088 -4.318 8.951 617 HG12 ILE 81 1HG1 ILE 81 4.498 -5.921 8.069 618 HG13 ILE 81 2HG1 ILE 81 2.967 -6.566 8.652 619 HG21 ILE 81 1HG2 ILE 81 3.584 -3.473 6.977 620 HG22 ILE 81 2HG2 ILE 81 3.112 -2.377 8.274 621 HG23 ILE 81 3HG2 ILE 81 4.722 -3.098 8.271 622 HD11 ILE 81 1HD1 ILE 81 2.250 -4.943 6.532 623 HD12 ILE 81 2HD1 ILE 81 3.733 -5.735 5.998 624 HD13 ILE 81 3HD1 ILE 81 2.358 -6.703 6.529 625 H SER 82 H SER 82 5.504 -3.061 11.471 626 HA SER 82 HA SER 82 3.963 -1.372 13.016 627 HB2 SER 82 1HB SER 82 6.728 -1.222 11.906 628 HB3 SER 82 2HB SER 82 6.047 0.237 12.625 629 HG SER 82 HG SER 82 7.204 -1.151 14.111 630 H ARG 83 H ARG 83 2.533 0.144 12.532 631 HA ARG 83 HA ARG 83 2.243 1.108 9.840 632 HB2 ARG 83 1HB ARG 83 0.306 2.331 10.713 633 HB3 ARG 83 2HB ARG 83 0.275 0.646 11.215 634 HG2 ARG 83 1HG ARG 83 1.248 1.366 13.403 635 HG3 ARG 83 2HG ARG 83 1.018 3.036 12.881 636 HD2 ARG 83 1HD ARG 83 -1.431 2.273 12.438 637 HD3 ARG 83 2HD ARG 83 -1.025 0.953 13.533 638 HE ARG 83 HE ARG 83 -0.247 3.212 14.857 639 HH11 ARG 83 1HH1 ARG 83 -3.219 2.075 13.445 640 HH12 ARG 83 2HH1 ARG 83 -4.229 2.922 14.569 641 HH21 ARG 83 1HH2 ARG 83 -1.566 4.333 16.342 642 HH22 ARG 83 2HH2 ARG 83 -3.288 4.207 16.216 643 H LEU 84 H LEU 84 3.399 2.719 9.031 644 HA LEU 84 HA LEU 84 4.592 4.690 10.830 645 HB2 LEU 84 1HB LEU 84 5.109 3.826 8.016 646 HB3 LEU 84 2HB LEU 84 5.680 5.399 8.570 647 HG LEU 84 HG LEU 84 6.802 4.035 10.476 648 HD11 LEU 84 1HD1 LEU 84 7.225 1.787 10.129 649 HD12 LEU 84 2HD1 LEU 84 6.810 1.866 8.417 650 HD13 LEU 84 3HD1 LEU 84 5.538 1.940 9.636 651 HD21 LEU 84 1HD2 LEU 84 8.061 5.251 8.828 652 HD22 LEU 84 2HD2 LEU 84 7.768 4.000 7.619 653 HD23 LEU 84 3HD2 LEU 84 8.776 3.651 9.024 654 H LEU 85 H LEU 85 2.690 4.593 7.822 655 HA LEU 85 HA LEU 85 2.063 7.423 8.096 656 HB2 LEU 85 1HB LEU 85 2.648 6.283 5.903 657 HB3 LEU 85 2HB LEU 85 1.054 5.536 5.985 658 HG LEU 85 HG LEU 85 0.114 7.895 6.069 659 HD11 LEU 85 1HD1 LEU 85 2.580 8.730 6.541 660 HD12 LEU 85 2HD1 LEU 85 1.411 9.723 5.671 661 HD13 LEU 85 3HD1 LEU 85 2.626 8.808 4.779 662 HD21 LEU 85 1HD2 LEU 85 1.385 7.817 3.467 663 HD22 LEU 85 2HD2 LEU 85 -0.312 7.611 3.902 664 HD23 LEU 85 3HD2 LEU 85 0.787 6.232 3.958 665 H GLU 86 H GLU 86 -0.026 8.244 8.327 666 HA GLU 86 HA GLU 86 -1.944 6.341 9.487 667 HB2 GLU 86 1HB GLU 86 -1.592 9.313 9.886 668 HB3 GLU 86 2HB GLU 86 -2.970 8.413 10.504 669 HG2 GLU 86 1HG GLU 86 -0.245 7.449 11.183 670 HG3 GLU 86 2HG GLU 86 -0.850 8.897 11.986 671 HA PRO 87 HA PRO 87 -4.804 6.970 6.216 672 HB2 PRO 87 1HB PRO 87 -7.154 6.654 7.538 673 HB3 PRO 87 2HB PRO 87 -6.068 5.308 7.175 674 HG2 PRO 87 1HG PRO 87 -6.392 6.845 9.723 675 HG3 PRO 87 2HG PRO 87 -6.216 5.097 9.486 676 HD2 PRO 87 1HD PRO 87 -4.156 6.678 10.252 677 HD3 PRO 87 2HD PRO 87 -3.928 5.233 9.246 678 H SER 88 H SER 88 -5.759 8.635 9.224 679 HA SER 88 HA SER 88 -7.425 10.549 8.079 680 HB2 SER 88 1HB SER 88 -7.418 10.248 10.465 681 HB3 SER 88 2HB SER 88 -5.712 10.683 10.569 682 HG SER 88 HG SER 88 -7.354 12.568 9.389 683 H ASP 89 H ASP 89 -3.980 10.858 8.939 684 HA ASP 89 HA ASP 89 -3.395 13.385 8.222 685 HB2 ASP 89 1HB ASP 89 -1.892 10.829 7.920 686 HB3 ASP 89 2HB ASP 89 -1.232 12.266 7.142 687 H MET 90 H MET 90 -3.612 10.680 5.917 688 HA MET 90 HA MET 90 -3.000 11.961 3.577 689 HB2 MET 90 1HB MET 90 -5.193 9.917 3.971 690 HB3 MET 90 2HB MET 90 -4.434 10.321 2.437 691 HG2 MET 90 1HG MET 90 -2.820 9.323 4.752 692 HG3 MET 90 2HG MET 90 -3.663 8.215 3.671 693 HE1 MET 90 1HE MET 90 -0.997 7.512 1.254 694 HE2 MET 90 2HE MET 90 -1.776 6.921 2.721 695 HE3 MET 90 3HE MET 90 -2.757 7.469 1.361 696 H VAL 91 H VAL 91 -6.088 11.982 5.296 697 HA VAL 91 HA VAL 91 -7.444 13.523 3.298 698 HB VAL 91 HB VAL 91 -8.256 13.168 6.183 699 HG11 VAL 91 1HG1 VAL 91 -10.408 13.778 5.527 700 HG12 VAL 91 2HG1 VAL 91 -9.372 14.900 4.644 701 HG13 VAL 91 3HG1 VAL 91 -10.068 13.505 3.819 702 HG21 VAL 91 1HG2 VAL 91 -9.714 11.315 5.133 703 HG22 VAL 91 2HG2 VAL 91 -8.533 11.340 3.824 704 HG23 VAL 91 3HG2 VAL 91 -8.018 10.966 5.468 705 H LEU 92 H LEU 92 -6.110 14.244 6.515 706 HA LEU 92 HA LEU 92 -6.799 16.853 6.845 707 HB2 LEU 92 1HB LEU 92 -4.088 15.651 7.388 708 HB3 LEU 92 2HB LEU 92 -4.693 17.156 8.077 709 HG LEU 92 HG LEU 92 -5.935 14.451 8.559 710 HD11 LEU 92 1HD1 LEU 92 -3.505 15.406 9.543 711 HD12 LEU 92 2HD1 LEU 92 -4.449 14.050 10.157 712 HD13 LEU 92 3HD1 LEU 92 -4.669 15.660 10.843 713 HD21 LEU 92 1HD2 LEU 92 -6.769 15.906 10.591 714 HD22 LEU 92 2HD2 LEU 92 -7.618 15.920 9.045 715 HD23 LEU 92 3HD2 LEU 92 -6.509 17.229 9.454 716 H LEU 93 H LEU 93 -3.652 15.955 5.424 717 HA LEU 93 HA LEU 93 -3.476 18.548 4.142 718 HB2 LEU 93 1HB LEU 93 -1.252 17.757 3.410 719 HB3 LEU 93 2HB LEU 93 -1.482 17.701 5.157 720 HG LEU 93 HG LEU 93 -2.127 15.179 4.590 721 HD11 LEU 93 1HD1 LEU 93 0.060 15.559 2.608 722 HD12 LEU 93 2HD1 LEU 93 -1.606 15.844 2.106 723 HD13 LEU 93 3HD1 LEU 93 -1.134 14.268 2.740 724 HD21 LEU 93 1HD2 LEU 93 0.197 14.584 5.125 725 HD22 LEU 93 2HD2 LEU 93 -0.416 15.871 6.164 726 HD23 LEU 93 3HD2 LEU 93 0.680 16.255 4.836 727 H ALA 94 H ALA 94 -2.725 18.621 1.822 728 HA ALA 94 HA ALA 94 -4.650 17.272 0.191 729 HB1 ALA 94 1HB ALA 94 -2.404 18.684 -1.107 730 HB2 ALA 94 2HB ALA 94 -4.139 18.793 -1.403 731 HB3 ALA 94 3HB ALA 94 -3.424 19.643 -0.033 732 H ILE 95 H ILE 95 -1.137 17.481 -0.346 733 HA ILE 95 HA ILE 95 -1.211 14.688 -1.276 734 HB ILE 95 HB ILE 95 0.850 16.788 -1.951 735 HG12 ILE 95 1HG1 ILE 95 -1.466 17.255 -2.836 736 HG13 ILE 95 2HG1 ILE 95 -0.226 17.058 -4.071 737 HG21 ILE 95 1HG2 ILE 95 0.330 14.120 -3.249 738 HG22 ILE 95 2HG2 ILE 95 1.654 15.234 -3.583 739 HG23 ILE 95 3HG2 ILE 95 1.573 14.403 -2.030 740 HD11 ILE 95 1HD1 ILE 95 -1.640 14.596 -3.353 741 HD12 ILE 95 2HD1 ILE 95 -2.639 15.843 -4.099 742 HD13 ILE 95 3HD1 ILE 95 -1.206 15.244 -4.935 743 HA PRO 96 HA PRO 96 1.248 13.684 2.273 744 HB2 PRO 96 1HB PRO 96 1.853 11.143 1.534 745 HB3 PRO 96 2HB PRO 96 0.268 11.609 2.162 746 HG2 PRO 96 1HG PRO 96 1.139 11.205 -0.674 747 HG3 PRO 96 2HG PRO 96 -0.359 10.687 0.121 748 HD2 PRO 96 1HD PRO 96 -0.234 12.880 -1.462 749 HD3 PRO 96 2HD PRO 96 -1.329 12.769 -0.070 750 H ASP 97 H ASP 97 3.437 12.458 2.581 751 HA ASP 97 HA ASP 97 5.347 13.722 0.761 752 HB2 ASP 97 1HB ASP 97 5.572 12.619 3.555 753 HB3 ASP 97 2HB ASP 97 6.998 13.012 2.598 754 H LYS 98 H LYS 98 5.797 12.461 -0.939 755 HA LYS 98 HA LYS 98 5.560 9.790 -1.293 756 HB2 LYS 98 1HB LYS 98 6.196 11.056 -3.171 757 HB3 LYS 98 2HB LYS 98 7.614 11.709 -2.362 758 HG2 LYS 98 1HG LYS 98 7.478 8.775 -2.802 759 HG3 LYS 98 2HG LYS 98 7.806 9.821 -4.186 760 HD2 LYS 98 1HD LYS 98 9.539 10.894 -2.492 761 HD3 LYS 98 2HD LYS 98 9.451 9.287 -1.766 762 HE2 LYS 98 1HE LYS 98 10.338 8.253 -3.629 763 HE3 LYS 98 2HE LYS 98 9.844 9.552 -4.714 764 HZ1 LYS 98 1HZ LYS 98 11.942 9.888 -2.647 765 HZ2 LYS 98 2HZ LYS 98 11.583 10.923 -3.935 766 HZ3 LYS 98 3HZ LYS 98 12.283 9.412 -4.234 767 H LEU 99 H LEU 99 8.287 11.432 0.244 768 HA LEU 99 HA LEU 99 9.970 9.215 0.544 769 HB2 LEU 99 1HB LEU 99 9.694 11.591 2.378 770 HB3 LEU 99 2HB LEU 99 11.071 10.493 2.299 771 HG LEU 99 HG LEU 99 10.251 12.092 -0.100 772 HD11 LEU 99 1HD1 LEU 99 12.393 13.170 1.615 773 HD12 LEU 99 2HD1 LEU 99 10.744 13.383 2.203 774 HD13 LEU 99 3HD1 LEU 99 11.202 14.006 0.618 775 HD21 LEU 99 1HD2 LEU 99 12.874 10.952 0.860 776 HD22 LEU 99 2HD2 LEU 99 12.635 11.862 -0.632 777 HD23 LEU 99 3HD2 LEU 99 11.855 10.294 -0.421 778 H THR 100 H THR 100 7.478 10.527 2.701 779 HA THR 100 HA THR 100 7.874 8.675 4.796 780 HB THR 100 HB THR 100 5.370 10.209 4.072 781 HG1 THR 100 1HG THR 100 7.560 10.788 5.799 782 HG21 THR 100 1HG2 THR 100 5.925 9.429 6.865 783 HG22 THR 100 2HG2 THR 100 5.467 8.120 5.776 784 HG23 THR 100 3HG2 THR 100 4.396 9.504 5.991 785 H VAL 101 H VAL 101 5.345 8.790 2.279 786 HA VAL 101 HA VAL 101 4.055 6.421 2.878 787 HB VAL 101 HB VAL 101 4.516 7.596 0.133 788 HG11 VAL 101 1HG1 VAL 101 3.053 6.116 -0.745 789 HG12 VAL 101 2HG1 VAL 101 3.582 5.118 0.610 790 HG13 VAL 101 3HG1 VAL 101 2.082 6.040 0.724 791 HG21 VAL 101 1HG2 VAL 101 2.806 9.035 0.490 792 HG22 VAL 101 2HG2 VAL 101 1.942 7.920 1.549 793 HG23 VAL 101 3HG2 VAL 101 3.305 8.849 2.172 794 H MET 102 H MET 102 6.447 6.789 0.253 795 HA MET 102 HA MET 102 6.834 4.245 -0.513 796 HB2 MET 102 1HB MET 102 8.747 6.509 -0.164 797 HB3 MET 102 2HB MET 102 9.390 4.927 -0.586 798 HG2 MET 102 1HG MET 102 7.494 5.053 -2.424 799 HG3 MET 102 2HG MET 102 7.712 6.783 -2.173 800 HE1 MET 102 1HE MET 102 8.224 4.355 -4.424 801 HE2 MET 102 2HE MET 102 9.855 4.423 -5.091 802 HE3 MET 102 3HE MET 102 9.532 3.459 -3.650 803 H THR 103 H THR 103 8.471 5.712 2.288 804 HA THR 103 HA THR 103 10.007 3.628 3.154 805 HB THR 103 HB THR 103 8.382 5.468 4.922 806 HG1 THR 103 1HG THR 103 10.944 5.691 3.710 807 HG21 THR 103 1HG2 THR 103 9.570 4.758 6.728 808 HG22 THR 103 2HG2 THR 103 11.004 4.382 5.772 809 HG23 THR 103 3HG2 THR 103 9.638 3.268 5.788 810 H TYR 104 H TYR 104 6.661 4.225 4.250 811 HA TYR 104 HA TYR 104 6.321 1.930 5.750 812 HB2 TYR 104 1HB TYR 104 4.723 3.840 5.639 813 HB3 TYR 104 2HB TYR 104 4.196 3.265 4.061 814 HD1 TYR 104 2HD TYR 104 4.904 1.455 7.252 815 HD2 TYR 104 1HD TYR 104 2.036 2.465 4.276 816 HE1 TYR 104 2HE TYR 104 3.262 -0.016 8.343 817 HE2 TYR 104 1HE TYR 104 0.386 0.998 5.359 818 HH TYR 104 HH TYR 104 1.258 -1.032 8.109 819 H LEU 105 H LEU 105 5.437 2.400 2.328 820 HA LEU 105 HA LEU 105 4.458 -0.080 1.723 821 HB2 LEU 105 1HB LEU 105 6.010 1.928 0.160 822 HB3 LEU 105 2HB LEU 105 5.679 0.355 -0.563 823 HG LEU 105 HG LEU 105 3.523 2.176 0.491 824 HD11 LEU 105 1HD1 LEU 105 3.534 3.378 -1.381 825 HD12 LEU 105 2HD1 LEU 105 3.722 1.947 -2.393 826 HD13 LEU 105 3HD1 LEU 105 5.141 2.716 -1.681 827 HD21 LEU 105 1HD2 LEU 105 3.622 -0.488 -0.701 828 HD22 LEU 105 2HD2 LEU 105 2.486 0.603 -1.495 829 HD23 LEU 105 3HD2 LEU 105 2.347 0.291 0.236 830 H TYR 106 H TYR 106 7.876 0.890 1.398 831 HA TYR 106 HA TYR 106 9.044 -1.397 0.571 832 HB2 TYR 106 1HB TYR 106 9.960 0.610 2.612 833 HB3 TYR 106 2HB TYR 106 10.971 -0.765 2.185 834 HD1 TYR 106 2HD TYR 106 10.542 -1.002 -0.698 835 HD2 TYR 106 1HD TYR 106 10.996 2.480 1.704 836 HE1 TYR 106 2HE TYR 106 11.393 0.227 -2.651 837 HE2 TYR 106 1HE TYR 106 11.847 3.719 -0.242 838 HH TYR 106 HH TYR 106 11.726 2.407 -3.452 839 H GLN 107 H GLN 107 7.769 -0.779 3.784 840 HA GLN 107 HA GLN 107 8.851 -3.048 5.064 841 HB2 GLN 107 1HB GLN 107 6.270 -1.618 5.716 842 HB3 GLN 107 2HB GLN 107 7.199 -2.648 6.798 843 HG2 GLN 107 1HG GLN 107 8.499 -0.251 5.604 844 HG3 GLN 107 2HG GLN 107 7.373 -0.049 6.945 845 HE21 GLN 107 1HE2 GLN 107 9.128 0.737 8.192 846 HE22 GLN 107 2HE2 GLN 107 10.265 -0.353 8.902 847 H ILE 108 H ILE 108 5.560 -2.500 3.800 848 HA ILE 108 HA ILE 108 4.526 -5.023 4.216 849 HB ILE 108 HB ILE 108 3.967 -3.083 1.976 850 HG12 ILE 108 1HG1 ILE 108 1.759 -3.067 3.480 851 HG13 ILE 108 2HG1 ILE 108 2.910 -3.553 4.720 852 HG21 ILE 108 1HG2 ILE 108 3.322 -5.235 1.165 853 HG22 ILE 108 2HG2 ILE 108 2.547 -5.638 2.696 854 HG23 ILE 108 3HG2 ILE 108 1.858 -4.386 1.663 855 HD11 ILE 108 1HD1 ILE 108 2.397 -0.961 3.650 856 HD12 ILE 108 2HD1 ILE 108 3.441 -1.429 4.992 857 HD13 ILE 108 3HD1 ILE 108 4.078 -1.400 3.348 858 H ARG 109 H ARG 109 5.946 -3.850 1.157 859 HA ARG 109 HA ARG 109 5.898 -6.181 -0.284 860 HB2 ARG 109 1HB ARG 109 6.597 -4.160 -1.346 861 HB3 ARG 109 2HB ARG 109 7.959 -3.979 -0.248 862 HG2 ARG 109 1HG ARG 109 8.643 -6.311 -1.289 863 HG3 ARG 109 2HG ARG 109 7.654 -5.722 -2.626 864 HD2 ARG 109 1HD ARG 109 9.084 -4.003 -3.107 865 HD3 ARG 109 2HD ARG 109 9.658 -3.873 -1.445 866 HE ARG 109 HE ARG 109 11.309 -5.383 -1.933 867 HH11 ARG 109 1HH1 ARG 109 8.896 -5.473 -4.441 868 HH12 ARG 109 2HH1 ARG 109 9.825 -6.505 -5.478 869 HH21 ARG 109 1HH2 ARG 109 12.541 -6.741 -3.289 870 HH22 ARG 109 2HH2 ARG 109 11.898 -7.226 -4.821 871 H ALA 110 H ALA 110 8.314 -5.163 2.091 872 HA ALA 110 HA ALA 110 10.063 -7.361 1.703 873 HB1 ALA 110 1HB ALA 110 9.969 -5.031 3.336 874 HB2 ALA 110 2HB ALA 110 10.309 -6.426 4.361 875 HB3 ALA 110 3HB ALA 110 11.344 -6.076 2.977 876 H HIS 111 H HIS 111 7.467 -6.731 4.041 877 HA HIS 111 HA HIS 111 7.719 -8.932 5.674 878 HB2 HIS 111 1HB HIS 111 6.053 -7.003 5.846 879 HB3 HIS 111 2HB HIS 111 5.041 -7.914 4.729 880 HD1 HIS 111 1HD HIS 111 5.751 -7.516 8.254 881 HD2 HIS 111 2HD HIS 111 4.322 -10.563 5.817 882 HE1 HIS 111 1HE HIS 111 4.648 -9.158 9.807 883 HE2 HIS 111 2HE HIS 111 3.866 -11.034 8.319 884 H PHE 112 H PHE 112 5.583 -8.741 2.819 885 HA PHE 112 HA PHE 112 5.053 -11.534 2.808 886 HB2 PHE 112 1HB PHE 112 4.650 -9.428 0.676 887 HB3 PHE 112 2HB PHE 112 4.050 -11.079 0.564 888 HD1 PHE 112 1HD PHE 112 2.684 -11.823 2.758 889 HD2 PHE 112 2HD PHE 112 3.156 -7.834 1.348 890 HE1 PHE 112 1HE PHE 112 0.638 -11.161 3.954 891 HE2 PHE 112 2HE PHE 112 1.112 -7.166 2.543 892 HZ PHE 112 HZ PHE 112 -0.150 -8.830 3.849 893 H SER 113 H SER 113 7.116 -9.452 0.797 894 HA SER 113 HA SER 113 8.416 -11.868 -0.264 895 HB2 SER 113 1HB SER 113 7.369 -9.989 -1.770 896 HB3 SER 113 2HB SER 113 8.868 -9.133 -1.408 897 HG SER 113 HG SER 113 8.516 -11.593 -2.748 898 H SER 114 H SER 114 10.101 -12.396 0.976 899 HA SER 114 HA SER 114 11.581 -10.607 2.566 900 HB2 SER 114 1HB SER 114 13.140 -12.469 2.892 901 HB3 SER 114 2HB SER 114 11.473 -13.035 3.000 902 HG SER 114 HG SER 114 11.786 -14.239 1.305 903 H GLY 115 H GLY 115 13.626 -9.705 2.311 904 HA2 GLY 115 1HA GLY 115 14.551 -9.560 -0.491 905 HA3 GLY 115 2HA GLY 115 14.674 -8.233 0.654 906 HA PRO 116 HA PRO 116 18.766 -10.399 0.523 907 HB2 PRO 116 1HB PRO 116 20.230 -8.117 0.386 908 HB3 PRO 116 2HB PRO 116 19.572 -8.923 -1.042 909 HG2 PRO 116 1HG PRO 116 18.513 -6.555 0.453 910 HG3 PRO 116 2HG PRO 116 18.630 -6.812 -1.298 911 HD2 PRO 116 1HD PRO 116 16.318 -7.143 0.073 912 HD3 PRO 116 2HD PRO 116 16.724 -8.107 -1.361 913 H SER 117 H SER 117 17.876 -7.412 2.241 914 HA SER 117 HA SER 117 19.721 -7.885 4.383 915 HB2 SER 117 1HB SER 117 18.662 -5.934 5.439 916 HB3 SER 117 2HB SER 117 19.053 -5.603 3.752 917 HG SER 117 HG SER 117 17.023 -5.211 3.452 918 H SER 118 H SER 118 19.405 -8.901 6.273 919 HA SER 118 HA SER 118 17.176 -10.621 6.596 920 HB2 SER 118 1HB SER 118 18.182 -11.105 8.831 921 HB3 SER 118 2HB SER 118 19.332 -11.250 7.503 922 HG SER 118 HG SER 118 19.793 -9.927 9.587 923 H GLY 119 H GLY 119 15.401 -9.121 6.477 924 HA2 GLY 119 1HA GLY 119 13.913 -7.546 7.321 925 HA3 GLY 119 2HA GLY 119 14.012 -8.617 8.711 Start of MODEL 10 1 H1 GLY 1 H GLY 1 16.813 -15.232 -18.559 2 HA2 GLY 1 1HA GLY 1 18.367 -16.292 -20.734 3 HA3 GLY 1 2HA GLY 1 18.243 -14.540 -20.778 4 H SER 2 H SER 2 19.106 -17.215 -18.604 5 HA SER 2 HA SER 2 20.463 -17.221 -16.738 6 HB2 SER 2 1HB SER 2 22.755 -16.979 -17.338 7 HB3 SER 2 2HB SER 2 21.927 -17.519 -18.799 8 HG SER 2 HG SER 2 23.044 -15.029 -18.193 9 H SER 3 H SER 3 18.748 -15.061 -16.542 10 HA SER 3 HA SER 3 20.432 -12.813 -15.697 11 HB2 SER 3 1HB SER 3 17.425 -12.956 -16.030 12 HB3 SER 3 2HB SER 3 18.352 -11.509 -15.633 13 HG SER 3 HG SER 3 19.513 -12.064 -17.701 14 H GLY 4 H GLY 4 20.670 -12.258 -13.608 15 HA2 GLY 4 1HA GLY 4 19.782 -14.092 -11.589 16 HA3 GLY 4 2HA GLY 4 20.726 -12.633 -11.330 17 H SER 5 H SER 5 17.900 -14.060 -10.575 18 HA SER 5 HA SER 5 16.299 -11.612 -10.617 19 HB2 SER 5 1HB SER 5 15.599 -14.483 -9.980 20 HB3 SER 5 2HB SER 5 14.466 -13.145 -9.797 21 HG SER 5 HG SER 5 14.164 -13.156 -11.873 22 H SER 6 H SER 6 18.429 -11.393 -8.935 23 HA SER 6 HA SER 6 17.128 -11.441 -6.299 24 HB2 SER 6 1HB SER 6 19.872 -12.424 -7.030 25 HB3 SER 6 2HB SER 6 19.547 -11.816 -5.407 26 HG SER 6 HG SER 6 18.706 -13.686 -5.005 27 H GLY 7 H GLY 7 17.658 -9.738 -4.906 28 HA2 GLY 7 1HA GLY 7 18.844 -7.766 -4.307 29 HA3 GLY 7 2HA GLY 7 19.420 -7.643 -5.963 30 HA PRO 8 HA PRO 8 14.834 -6.033 -5.821 31 HB2 PRO 8 1HB PRO 8 13.951 -5.322 -3.354 32 HB3 PRO 8 2HB PRO 8 13.710 -6.937 -4.032 33 HG2 PRO 8 1HG PRO 8 15.778 -5.989 -2.086 34 HG3 PRO 8 2HG PRO 8 14.826 -7.485 -2.067 35 HD2 PRO 8 1HD PRO 8 17.392 -7.403 -2.926 36 HD3 PRO 8 2HD PRO 8 16.194 -8.524 -3.603 37 H ASN 9 H ASN 9 17.596 -4.900 -4.192 38 HA ASN 9 HA ASN 9 17.012 -2.303 -3.490 39 HB2 ASN 9 1HB ASN 9 19.485 -3.633 -4.534 40 HB3 ASN 9 2HB ASN 9 19.472 -1.885 -4.322 41 HD21 ASN 9 1HD2 ASN 9 20.037 -1.143 -2.410 42 HD22 ASN 9 2HD2 ASN 9 20.049 -2.043 -0.935 43 H ALA 10 H ALA 10 15.466 -1.458 -4.930 44 HA ALA 10 HA ALA 10 16.520 0.126 -7.018 45 HB1 ALA 10 1HB ALA 10 16.601 -1.928 -8.276 46 HB2 ALA 10 2HB ALA 10 14.916 -2.274 -7.885 47 HB3 ALA 10 3HB ALA 10 15.318 -0.902 -8.918 48 H SER 11 H SER 11 15.103 1.723 -7.642 49 HA SER 11 HA SER 11 12.713 1.971 -6.026 50 HB2 SER 11 1HB SER 11 12.620 4.227 -7.370 51 HB3 SER 11 2HB SER 11 13.829 4.004 -6.105 52 HG SER 11 HG SER 11 14.179 3.775 -8.907 53 H GLN 12 H GLN 12 12.961 0.046 -8.348 54 HA GLN 12 HA GLN 12 10.596 0.970 -9.843 55 HB2 GLN 12 1HB GLN 12 12.341 0.868 -11.424 56 HB3 GLN 12 2HB GLN 12 12.983 -0.623 -10.746 57 HG2 GLN 12 1HG GLN 12 10.823 -1.720 -11.489 58 HG3 GLN 12 2HG GLN 12 10.517 -0.250 -12.413 59 HE21 GLN 12 1HE2 GLN 12 10.857 -2.891 -13.445 60 HE22 GLN 12 2HE2 GLN 12 12.242 -2.863 -14.476 61 H SER 13 H SER 13 12.241 -1.789 -8.384 62 HA SER 13 HA SER 13 10.507 -3.838 -8.959 63 HB2 SER 13 1HB SER 13 12.286 -3.234 -6.642 64 HB3 SER 13 2HB SER 13 11.135 -4.560 -6.475 65 HG SER 13 HG SER 13 12.795 -5.559 -7.392 66 H LEU 14 H LEU 14 10.226 -1.435 -6.368 67 HA LEU 14 HA LEU 14 7.959 -2.452 -5.106 68 HB2 LEU 14 1HB LEU 14 9.415 -0.615 -4.269 69 HB3 LEU 14 2HB LEU 14 8.669 0.457 -5.453 70 HG LEU 14 HG LEU 14 6.469 0.011 -4.315 71 HD11 LEU 14 1HD1 LEU 14 6.712 -1.934 -3.098 72 HD12 LEU 14 2HD1 LEU 14 6.859 -0.699 -1.848 73 HD13 LEU 14 3HD1 LEU 14 8.304 -1.481 -2.489 74 HD21 LEU 14 1HD2 LEU 14 8.054 1.176 -2.167 75 HD22 LEU 14 2HD2 LEU 14 6.795 1.899 -3.168 76 HD23 LEU 14 3HD2 LEU 14 8.457 1.827 -3.756 77 H LEU 15 H LEU 15 7.937 0.395 -7.253 78 HA LEU 15 HA LEU 15 5.296 0.698 -7.687 79 HB2 LEU 15 1HB LEU 15 7.285 1.946 -8.718 80 HB3 LEU 15 2HB LEU 15 7.189 0.757 -10.015 81 HG LEU 15 HG LEU 15 4.683 1.557 -10.121 82 HD11 LEU 15 1HD1 LEU 15 4.135 3.446 -9.077 83 HD12 LEU 15 2HD1 LEU 15 5.637 4.240 -9.546 84 HD13 LEU 15 3HD1 LEU 15 5.594 3.212 -8.114 85 HD21 LEU 15 1HD2 LEU 15 7.161 2.712 -11.290 86 HD22 LEU 15 2HD2 LEU 15 5.630 3.532 -11.595 87 HD23 LEU 15 3HD2 LEU 15 5.837 1.846 -12.070 88 H VAL 16 H VAL 16 7.242 -1.940 -8.804 89 HA VAL 16 HA VAL 16 5.201 -2.909 -10.634 90 HB VAL 16 HB VAL 16 7.759 -4.286 -9.811 91 HG11 VAL 16 1HG1 VAL 16 6.587 -4.709 -12.474 92 HG12 VAL 16 2HG1 VAL 16 7.306 -5.864 -11.351 93 HG13 VAL 16 3HG1 VAL 16 5.639 -5.335 -11.126 94 HG21 VAL 16 1HG2 VAL 16 7.956 -3.211 -12.417 95 HG22 VAL 16 2HG2 VAL 16 7.407 -1.913 -11.356 96 HG23 VAL 16 3HG2 VAL 16 8.896 -2.784 -10.987 97 H TRP 17 H TRP 17 6.575 -3.721 -7.490 98 HA TRP 17 HA TRP 17 5.364 -6.193 -7.081 99 HB2 TRP 17 1HB TRP 17 7.107 -5.174 -5.615 100 HB3 TRP 17 2HB TRP 17 5.881 -4.082 -4.977 101 HD1 TRP 17 HD TRP 17 6.782 -7.831 -5.025 102 HE1 TRP 17 1HE TRP 17 5.691 -8.946 -2.978 103 HE3 TRP 17 3HE TRP 17 4.073 -3.860 -3.284 104 HZ2 TRP 17 2HZ TRP 17 3.916 -8.237 -0.901 105 HZ3 TRP 17 3HZ TRP 17 2.704 -4.162 -1.262 106 HH2 TRP 17 HH TRP 17 2.628 -6.306 -0.097 107 H CYS 18 H CYS 18 4.114 -2.934 -6.544 108 HA CYS 18 HA CYS 18 1.655 -3.847 -5.384 109 HB2 CYS 18 1HB CYS 18 0.979 -1.404 -5.803 110 HB3 CYS 18 2HB CYS 18 2.306 -1.699 -4.686 111 HG CYS 18 HG CYS 18 3.777 0.059 -5.832 112 H LYS 19 H LYS 19 2.478 -2.299 -8.488 113 HA LYS 19 HA LYS 19 -0.046 -2.482 -9.657 114 HB2 LYS 19 1HB LYS 19 2.702 -2.488 -10.908 115 HB3 LYS 19 2HB LYS 19 1.215 -2.375 -11.840 116 HG2 LYS 19 1HG LYS 19 0.700 -0.263 -10.983 117 HG3 LYS 19 2HG LYS 19 1.839 -0.431 -9.645 118 HD2 LYS 19 1HD LYS 19 3.014 0.962 -11.048 119 HD3 LYS 19 2HD LYS 19 3.605 -0.617 -11.573 120 HE2 LYS 19 1HE LYS 19 3.107 0.364 -13.591 121 HE3 LYS 19 2HE LYS 19 1.600 -0.482 -13.244 122 HZ1 LYS 19 1HZ LYS 19 2.170 2.406 -12.887 123 HZ2 LYS 19 2HZ LYS 19 0.790 1.651 -12.263 124 HZ3 LYS 19 3HZ LYS 19 1.046 1.698 -13.935 125 H GLU 20 H GLU 20 2.322 -4.914 -9.073 126 HA GLU 20 HA GLU 20 1.362 -6.765 -11.051 127 HB2 GLU 20 1HB GLU 20 3.698 -6.780 -10.195 128 HB3 GLU 20 2HB GLU 20 3.090 -7.294 -8.628 129 HG2 GLU 20 1HG GLU 20 2.215 -9.340 -9.638 130 HG3 GLU 20 2HG GLU 20 2.834 -8.826 -11.206 131 H VAL 21 H VAL 21 1.258 -6.725 -7.484 132 HA VAL 21 HA VAL 21 -0.489 -8.907 -7.216 133 HB VAL 21 HB VAL 21 -0.716 -8.329 -4.943 134 HG11 VAL 21 1HG1 VAL 21 1.850 -8.065 -6.224 135 HG12 VAL 21 2HG1 VAL 21 1.790 -7.114 -4.738 136 HG13 VAL 21 3HG1 VAL 21 1.433 -8.841 -4.696 137 HG21 VAL 21 1HG2 VAL 21 -0.318 -6.127 -4.029 138 HG22 VAL 21 2HG2 VAL 21 0.155 -5.519 -5.616 139 HG23 VAL 21 3HG2 VAL 21 -1.511 -6.020 -5.324 140 H THR 22 H THR 22 -1.058 -5.613 -8.057 141 HA THR 22 HA THR 22 -3.942 -5.899 -7.593 142 HB THR 22 HB THR 22 -4.116 -3.502 -7.915 143 HG1 THR 22 1HG THR 22 -1.486 -3.814 -8.834 144 HG21 THR 22 1HG2 THR 22 -1.699 -3.794 -6.172 145 HG22 THR 22 2HG2 THR 22 -3.214 -4.575 -5.718 146 HG23 THR 22 3HG2 THR 22 -3.149 -2.824 -5.919 147 H LYS 23 H LYS 23 -2.268 -7.087 -9.829 148 HA LYS 23 HA LYS 23 -2.816 -5.801 -12.252 149 HB2 LYS 23 1HB LYS 23 -2.140 -8.586 -11.442 150 HB3 LYS 23 2HB LYS 23 -2.766 -8.339 -13.067 151 HG2 LYS 23 1HG LYS 23 -0.949 -7.034 -13.703 152 HG3 LYS 23 2HG LYS 23 -0.482 -6.703 -12.033 153 HD2 LYS 23 1HD LYS 23 1.097 -8.261 -12.817 154 HD3 LYS 23 2HD LYS 23 -0.028 -9.201 -11.834 155 HE2 LYS 23 1HE LYS 23 -0.956 -10.248 -13.658 156 HE3 LYS 23 2HE LYS 23 -0.545 -8.932 -14.757 157 HZ1 LYS 23 1HZ LYS 23 1.599 -10.533 -13.534 158 HZ2 LYS 23 2HZ LYS 23 1.599 -9.685 -14.997 159 HZ3 LYS 23 3HZ LYS 23 0.758 -11.146 -14.867 160 H ASN 24 H ASN 24 -4.710 -5.317 -13.124 161 HA ASN 24 HA ASN 24 -6.867 -5.462 -13.836 162 HB2 ASN 24 1HB ASN 24 -6.965 -8.347 -12.999 163 HB3 ASN 24 2HB ASN 24 -7.777 -7.560 -14.350 164 HD21 ASN 24 1HD2 ASN 24 -5.007 -9.229 -13.295 165 HD22 ASN 24 2HD2 ASN 24 -4.128 -9.188 -14.782 166 H TYR 25 H TYR 25 -6.646 -4.321 -11.472 167 HA TYR 25 HA TYR 25 -8.699 -5.573 -9.770 168 HB2 TYR 25 1HB TYR 25 -6.305 -3.891 -9.130 169 HB3 TYR 25 2HB TYR 25 -7.693 -3.867 -8.048 170 HD1 TYR 25 2HD TYR 25 -5.817 -6.519 -9.911 171 HD2 TYR 25 1HD TYR 25 -7.406 -5.194 -6.193 172 HE1 TYR 25 2HE TYR 25 -5.009 -8.579 -8.837 173 HE2 TYR 25 1HE TYR 25 -6.601 -7.250 -5.109 174 HH TYR 25 HH TYR 25 -5.750 -9.948 -6.688 175 H ARG 26 H ARG 26 -9.711 -3.681 -8.316 176 HA ARG 26 HA ARG 26 -11.265 -2.125 -10.125 177 HB2 ARG 26 1HB ARG 26 -12.025 -3.083 -7.897 178 HB3 ARG 26 2HB ARG 26 -11.130 -1.776 -7.132 179 HG2 ARG 26 1HG ARG 26 -13.195 -0.833 -7.210 180 HG3 ARG 26 2HG ARG 26 -12.572 -0.296 -8.771 181 HD2 ARG 26 1HD ARG 26 -14.790 -1.140 -9.093 182 HD3 ARG 26 2HD ARG 26 -13.652 -2.278 -9.814 183 HE ARG 26 HE ARG 26 -14.210 -3.059 -7.169 184 HH11 ARG 26 1HH1 ARG 26 -15.707 -2.891 -10.307 185 HH12 ARG 26 2HH1 ARG 26 -16.776 -4.222 -10.013 186 HH21 ARG 26 1HH2 ARG 26 -15.611 -4.813 -6.769 187 HH22 ARG 26 2HH2 ARG 26 -16.721 -5.315 -8.000 188 H GLY 27 H GLY 27 -10.372 -0.450 -11.162 189 HA2 GLY 27 1HA GLY 27 -8.972 1.365 -11.548 190 HA3 GLY 27 2HA GLY 27 -9.884 1.996 -10.185 191 H VAL 28 H VAL 28 -7.029 0.029 -10.961 192 HA VAL 28 HA VAL 28 -5.712 1.199 -8.597 193 HB VAL 28 HB VAL 28 -5.183 -1.560 -9.706 194 HG11 VAL 28 1HG1 VAL 28 -4.181 -1.621 -7.239 195 HG12 VAL 28 2HG1 VAL 28 -3.237 -1.087 -8.631 196 HG13 VAL 28 3HG1 VAL 28 -3.986 0.101 -7.564 197 HG21 VAL 28 1HG2 VAL 28 -6.206 -2.168 -7.382 198 HG22 VAL 28 2HG2 VAL 28 -7.002 -0.602 -7.540 199 HG23 VAL 28 3HG2 VAL 28 -7.264 -1.850 -8.757 200 H LYS 29 H LYS 29 -4.673 2.828 -9.711 201 HA LYS 29 HA LYS 29 -2.649 1.941 -11.661 202 HB2 LYS 29 1HB LYS 29 -4.363 3.261 -12.782 203 HB3 LYS 29 2HB LYS 29 -4.170 4.553 -11.604 204 HG2 LYS 29 1HG LYS 29 -3.064 5.078 -13.712 205 HG3 LYS 29 2HG LYS 29 -1.906 4.957 -12.385 206 HD2 LYS 29 1HD LYS 29 -0.966 3.036 -13.198 207 HD3 LYS 29 2HD LYS 29 -2.455 2.516 -13.992 208 HE2 LYS 29 1HE LYS 29 -0.756 4.828 -14.917 209 HE3 LYS 29 2HE LYS 29 -0.631 3.190 -15.557 210 HZ1 LYS 29 1HZ LYS 29 -2.942 5.034 -15.743 211 HZ2 LYS 29 2HZ LYS 29 -3.052 3.387 -16.112 212 HZ3 LYS 29 3HZ LYS 29 -2.026 4.388 -17.010 213 H ILE 30 H ILE 30 -0.855 1.830 -10.421 214 HA ILE 30 HA ILE 30 -0.271 3.903 -8.474 215 HB ILE 30 HB ILE 30 1.341 1.474 -9.265 216 HG12 ILE 30 1HG1 ILE 30 0.548 0.853 -6.832 217 HG13 ILE 30 2HG1 ILE 30 -0.750 1.988 -7.184 218 HG21 ILE 30 1HG2 ILE 30 1.766 2.795 -6.664 219 HG22 ILE 30 2HG2 ILE 30 2.924 2.042 -7.760 220 HG23 ILE 30 3HG2 ILE 30 2.337 3.673 -8.082 221 HD11 ILE 30 1HD1 ILE 30 -1.831 0.429 -8.311 222 HD12 ILE 30 2HD1 ILE 30 -0.453 0.213 -9.391 223 HD13 ILE 30 3HD1 ILE 30 -0.561 -0.724 -7.901 224 H THR 31 H THR 31 -0.248 5.479 -10.364 225 HA THR 31 HA THR 31 2.085 5.444 -12.053 226 HB THR 31 HB THR 31 0.040 7.627 -11.602 227 HG1 THR 31 1HG THR 31 -1.015 6.751 -13.284 228 HG21 THR 31 1HG2 THR 31 2.515 7.505 -13.177 229 HG22 THR 31 2HG2 THR 31 1.592 8.901 -12.622 230 HG23 THR 31 3HG2 THR 31 1.099 8.040 -14.080 231 H ASN 32 H ASN 32 1.412 6.458 -8.892 232 HA ASN 32 HA ASN 32 4.034 7.680 -8.680 233 HB2 ASN 32 1HB ASN 32 1.724 9.241 -7.562 234 HB3 ASN 32 2HB ASN 32 3.365 9.783 -7.903 235 HD21 ASN 32 1HD2 ASN 32 0.212 9.738 -8.976 236 HD22 ASN 32 2HD2 ASN 32 0.478 10.248 -10.605 237 H PHE 33 H PHE 33 4.301 8.443 -6.256 238 HA PHE 33 HA PHE 33 3.182 6.303 -4.566 239 HB2 PHE 33 1HB PHE 33 5.929 7.499 -4.699 240 HB3 PHE 33 2HB PHE 33 5.353 6.795 -3.192 241 HD1 PHE 33 2HD PHE 33 4.050 4.417 -3.741 242 HD2 PHE 33 1HD PHE 33 7.311 6.120 -5.881 243 HE1 PHE 33 2HE PHE 33 4.688 2.180 -4.543 244 HE2 PHE 33 1HE PHE 33 7.954 3.886 -6.687 245 HZ PHE 33 HZ PHE 33 6.642 1.912 -6.017 246 H THR 34 H THR 34 1.962 8.863 -4.997 247 HA THR 34 HA THR 34 2.081 9.901 -2.247 248 HB THR 34 HB THR 34 1.583 12.185 -3.194 249 HG1 THR 34 1HG THR 34 2.194 12.467 -5.414 250 HG21 THR 34 1HG2 THR 34 4.183 11.770 -4.358 251 HG22 THR 34 2HG2 THR 34 4.027 10.850 -2.861 252 HG23 THR 34 3HG2 THR 34 3.749 12.592 -2.860 253 H THR 35 H THR 35 0.150 10.665 -5.139 254 HA THR 35 HA THR 35 -2.273 10.747 -3.617 255 HB THR 35 HB THR 35 -3.391 11.132 -5.780 256 HG1 THR 35 1HG THR 35 -0.895 11.135 -7.079 257 HG21 THR 35 1HG2 THR 35 -1.894 13.150 -6.470 258 HG22 THR 35 2HG2 THR 35 -0.950 12.703 -5.049 259 HG23 THR 35 3HG2 THR 35 -2.651 13.135 -4.877 260 H SER 36 H SER 36 -1.107 8.625 -6.235 261 HA SER 36 HA SER 36 -3.129 6.871 -6.531 262 HB2 SER 36 1HB SER 36 -0.171 6.541 -6.567 263 HB3 SER 36 2HB SER 36 -1.148 5.073 -6.573 264 HG SER 36 HG SER 36 -0.559 6.509 -8.635 265 H TRP 37 H TRP 37 -1.202 7.273 -3.686 266 HA TRP 37 HA TRP 37 -2.459 4.914 -2.459 267 HB2 TRP 37 1HB TRP 37 -0.099 6.496 -1.424 268 HB3 TRP 37 2HB TRP 37 -0.691 4.953 -0.816 269 HD1 TRP 37 HD TRP 37 1.195 6.456 -3.808 270 HE1 TRP 37 1HE TRP 37 2.482 4.566 -4.990 271 HE3 TRP 37 3HE TRP 37 -0.634 2.466 -1.187 272 HZ2 TRP 37 2HZ TRP 37 2.693 1.756 -4.832 273 HZ3 TRP 37 3HZ TRP 37 0.161 0.211 -1.765 274 HH2 TRP 37 HH TRP 37 1.790 -0.135 -3.550 275 H ARG 38 H ARG 38 -2.211 8.368 -2.331 276 HA ARG 38 HA ARG 38 -2.885 9.154 0.140 277 HB2 ARG 38 1HB ARG 38 -2.771 10.796 -1.572 278 HB3 ARG 38 2HB ARG 38 -4.080 10.049 -2.477 279 HG2 ARG 38 1HG ARG 38 -5.700 10.969 -1.169 280 HG3 ARG 38 2HG ARG 38 -4.669 11.021 0.263 281 HD2 ARG 38 1HD ARG 38 -4.718 13.244 -0.235 282 HD3 ARG 38 2HD ARG 38 -3.334 12.764 -1.215 283 HE ARG 38 HE ARG 38 -4.568 13.162 -3.114 284 HH11 ARG 38 1HH1 ARG 38 -6.651 13.205 -0.326 285 HH12 ARG 38 2HH1 ARG 38 -8.014 13.833 -1.191 286 HH21 ARG 38 1HH2 ARG 38 -6.355 13.989 -4.265 287 HH22 ARG 38 2HH2 ARG 38 -7.845 14.278 -3.432 288 H ASN 39 H ASN 39 -5.326 8.051 -2.218 289 HA ASN 39 HA ASN 39 -7.524 8.113 -0.513 290 HB2 ASN 39 1HB ASN 39 -8.389 6.244 -2.098 291 HB3 ASN 39 2HB ASN 39 -8.054 7.838 -2.769 292 HD21 ASN 39 1HD2 ASN 39 -8.139 6.015 -4.585 293 HD22 ASN 39 2HD2 ASN 39 -6.575 5.502 -5.110 294 H GLY 40 H GLY 40 -5.590 5.247 -1.418 295 HA2 GLY 40 1HA GLY 40 -4.795 3.908 0.552 296 HA3 GLY 40 2HA GLY 40 -6.453 4.017 1.126 297 H LEU 41 H LEU 41 -6.633 3.769 -2.147 298 HA LEU 41 HA LEU 41 -7.816 1.260 -2.179 299 HB2 LEU 41 1HB LEU 41 -6.507 2.864 -4.359 300 HB3 LEU 41 2HB LEU 41 -7.335 1.340 -4.670 301 HG LEU 41 HG LEU 41 -8.587 3.856 -3.572 302 HD11 LEU 41 1HD1 LEU 41 -9.786 2.975 -5.966 303 HD12 LEU 41 2HD1 LEU 41 -8.043 2.984 -6.232 304 HD13 LEU 41 3HD1 LEU 41 -8.859 4.450 -5.688 305 HD21 LEU 41 1HD2 LEU 41 -9.686 1.106 -4.084 306 HD22 LEU 41 2HD2 LEU 41 -10.712 2.538 -3.998 307 HD23 LEU 41 3HD2 LEU 41 -9.752 2.054 -2.599 308 H SER 42 H SER 42 -4.660 2.008 -3.668 309 HA SER 42 HA SER 42 -3.781 -0.522 -4.166 310 HB2 SER 42 1HB SER 42 -1.945 1.599 -3.048 311 HB3 SER 42 2HB SER 42 -1.558 0.333 -4.213 312 HG SER 42 HG SER 42 -3.473 1.614 -5.345 313 H PHE 43 H PHE 43 -3.255 1.273 -1.135 314 HA PHE 43 HA PHE 43 -1.825 -0.548 0.308 315 HB2 PHE 43 1HB PHE 43 -3.914 1.448 1.080 316 HB3 PHE 43 2HB PHE 43 -3.296 0.345 2.305 317 HD1 PHE 43 2HD PHE 43 -0.484 0.120 1.651 318 HD2 PHE 43 1HD PHE 43 -3.032 3.527 1.531 319 HE1 PHE 43 2HE PHE 43 1.464 1.585 1.986 320 HE2 PHE 43 1HE PHE 43 -1.088 4.997 1.864 321 HZ PHE 43 HZ PHE 43 1.164 4.027 2.094 322 H CYS 44 H CYS 44 -5.361 -0.458 -0.031 323 HA CYS 44 HA CYS 44 -5.773 -2.815 1.528 324 HB2 CYS 44 1HB CYS 44 -7.572 -1.291 -0.362 325 HB3 CYS 44 2HB CYS 44 -8.103 -2.689 0.566 326 HG CYS 44 HG CYS 44 -7.409 0.447 1.636 327 H ALA 45 H ALA 45 -6.195 -2.174 -1.958 328 HA ALA 45 HA ALA 45 -6.788 -4.626 -2.917 329 HB1 ALA 45 1HB ALA 45 -6.601 -3.388 -4.755 330 HB2 ALA 45 2HB ALA 45 -5.465 -2.283 -3.980 331 HB3 ALA 45 3HB ALA 45 -4.878 -3.766 -4.733 332 H ILE 46 H ILE 46 -3.510 -3.506 -2.125 333 HA ILE 46 HA ILE 46 -2.094 -5.763 -2.918 334 HB ILE 46 HB ILE 46 -1.560 -3.754 -0.743 335 HG12 ILE 46 1HG1 ILE 46 -0.097 -4.264 -3.336 336 HG13 ILE 46 2HG1 ILE 46 -1.440 -3.134 -3.197 337 HG21 ILE 46 1HG2 ILE 46 0.786 -4.726 -0.761 338 HG22 ILE 46 2HG2 ILE 46 -0.453 -5.662 0.073 339 HG23 ILE 46 3HG2 ILE 46 0.079 -6.142 -1.538 340 HD11 ILE 46 1HD1 ILE 46 -0.043 -2.051 -1.329 341 HD12 ILE 46 2HD1 ILE 46 1.301 -2.958 -2.024 342 HD13 ILE 46 3HD1 ILE 46 0.426 -1.784 -3.008 343 H LEU 47 H LEU 47 -3.323 -4.993 0.341 344 HA LEU 47 HA LEU 47 -2.602 -7.473 1.481 345 HB2 LEU 47 1HB LEU 47 -3.076 -5.417 2.766 346 HB3 LEU 47 2HB LEU 47 -4.779 -5.572 2.341 347 HG LEU 47 HG LEU 47 -4.750 -7.792 3.551 348 HD11 LEU 47 1HD1 LEU 47 -1.965 -6.984 3.880 349 HD12 LEU 47 2HD1 LEU 47 -2.713 -8.574 4.029 350 HD13 LEU 47 3HD1 LEU 47 -2.753 -7.450 5.387 351 HD21 LEU 47 1HD2 LEU 47 -5.443 -6.774 5.456 352 HD22 LEU 47 2HD2 LEU 47 -5.356 -5.346 4.423 353 HD23 LEU 47 3HD2 LEU 47 -4.036 -5.713 5.535 354 H HIS 48 H HIS 48 -5.271 -6.487 -0.469 355 HA HIS 48 HA HIS 48 -6.991 -8.671 0.287 356 HB2 HIS 48 1HB HIS 48 -7.772 -6.410 -0.574 357 HB3 HIS 48 2HB HIS 48 -7.245 -6.936 -2.170 358 HD1 HIS 48 1HD HIS 48 -8.498 -9.132 -3.107 359 HD2 HIS 48 2HD HIS 48 -10.275 -7.229 0.131 360 HE1 HIS 48 1HE HIS 48 -10.862 -9.989 -3.038 361 HE2 HIS 48 2HE HIS 48 -11.942 -8.759 -1.123 362 H HIS 49 H HIS 49 -4.410 -8.181 -1.914 363 HA HIS 49 HA HIS 49 -5.078 -10.063 -3.902 364 HB2 HIS 49 1HB HIS 49 -3.306 -8.387 -4.197 365 HB3 HIS 49 2HB HIS 49 -2.343 -9.182 -2.955 366 HD1 HIS 49 1HD HIS 49 -4.131 -10.648 -5.980 367 HD2 HIS 49 2HD HIS 49 -0.338 -10.393 -4.303 368 HE1 HIS 49 1HE HIS 49 -2.647 -12.039 -7.459 369 HE2 HIS 49 2HE HIS 49 -0.375 -11.939 -6.376 370 H PHE 50 H PHE 50 -3.153 -10.364 -0.933 371 HA PHE 50 HA PHE 50 -2.788 -13.202 -1.329 372 HB2 PHE 50 1HB PHE 50 -2.171 -11.684 1.198 373 HB3 PHE 50 2HB PHE 50 -1.414 -13.154 0.595 374 HD1 PHE 50 2HD PHE 50 -1.741 -9.518 0.021 375 HD2 PHE 50 1HD PHE 50 0.453 -13.066 -0.829 376 HE1 PHE 50 2HE PHE 50 0.025 -8.169 -1.034 377 HE2 PHE 50 1HE PHE 50 2.223 -11.722 -1.885 378 HZ PHE 50 HZ PHE 50 2.010 -9.271 -1.989 379 H ARG 51 H ARG 51 -4.624 -11.097 0.849 380 HA ARG 51 HA ARG 51 -6.343 -13.395 1.487 381 HB2 ARG 51 1HB ARG 51 -4.622 -12.548 3.317 382 HB3 ARG 51 2HB ARG 51 -5.860 -11.327 3.582 383 HG2 ARG 51 1HG ARG 51 -6.038 -13.294 5.079 384 HG3 ARG 51 2HG ARG 51 -7.487 -12.993 4.117 385 HD2 ARG 51 1HD ARG 51 -7.090 -14.815 2.727 386 HD3 ARG 51 2HD ARG 51 -5.381 -14.889 3.151 387 HE ARG 51 HE ARG 51 -6.905 -15.398 5.448 388 HH11 ARG 51 1HH1 ARG 51 -6.124 -16.854 2.384 389 HH12 ARG 51 2HH1 ARG 51 -6.318 -18.477 2.958 390 HH21 ARG 51 1HH2 ARG 51 -7.163 -17.531 6.216 391 HH22 ARG 51 2HH2 ARG 51 -6.910 -18.861 5.138 392 HA PRO 52 HA PRO 52 -9.020 -10.073 -0.126 393 HB2 PRO 52 1HB PRO 52 -10.919 -11.777 -1.052 394 HB3 PRO 52 2HB PRO 52 -9.454 -11.386 -1.961 395 HG2 PRO 52 1HG PRO 52 -10.050 -13.782 -0.269 396 HG3 PRO 52 2HG PRO 52 -9.258 -13.701 -1.853 397 HD2 PRO 52 1HD PRO 52 -7.871 -13.964 0.457 398 HD3 PRO 52 2HD PRO 52 -7.229 -13.088 -0.947 399 H ASP 53 H ASP 53 -9.284 -12.351 2.351 400 HA ASP 53 HA ASP 53 -11.979 -11.512 3.120 401 HB2 ASP 53 1HB ASP 53 -11.553 -13.242 4.991 402 HB3 ASP 53 2HB ASP 53 -11.788 -13.834 3.348 403 H LEU 54 H LEU 54 -8.716 -10.814 3.772 404 HA LEU 54 HA LEU 54 -8.924 -10.028 6.488 405 HB2 LEU 54 1HB LEU 54 -6.971 -9.650 4.290 406 HB3 LEU 54 2HB LEU 54 -6.882 -8.534 5.650 407 HG LEU 54 HG LEU 54 -6.648 -11.538 5.815 408 HD11 LEU 54 1HD1 LEU 54 -4.749 -10.158 4.766 409 HD12 LEU 54 2HD1 LEU 54 -4.352 -11.276 6.070 410 HD13 LEU 54 3HD1 LEU 54 -4.487 -9.549 6.401 411 HD21 LEU 54 1HD2 LEU 54 -5.716 -10.091 8.108 412 HD22 LEU 54 2HD2 LEU 54 -6.931 -11.366 8.009 413 HD23 LEU 54 3HD2 LEU 54 -7.400 -9.681 7.779 414 H ILE 55 H ILE 55 -9.362 -8.337 3.428 415 HA ILE 55 HA ILE 55 -10.359 -6.011 4.940 416 HB ILE 55 HB ILE 55 -9.447 -5.650 2.134 417 HG12 ILE 55 1HG1 ILE 55 -7.145 -5.062 3.359 418 HG13 ILE 55 2HG1 ILE 55 -7.682 -6.355 4.426 419 HG21 ILE 55 1HG2 ILE 55 -8.508 -3.571 3.612 420 HG22 ILE 55 2HG2 ILE 55 -10.087 -3.616 2.831 421 HG23 ILE 55 3HG2 ILE 55 -9.935 -4.041 4.535 422 HD11 ILE 55 1HD1 ILE 55 -6.824 -7.798 2.990 423 HD12 ILE 55 2HD1 ILE 55 -8.057 -7.311 1.827 424 HD13 ILE 55 3HD1 ILE 55 -6.484 -6.513 1.831 425 H ASP 56 H ASP 56 -11.679 -4.587 3.180 426 HA ASP 56 HA ASP 56 -13.696 -6.425 2.067 427 HB2 ASP 56 1HB ASP 56 -13.984 -3.718 3.360 428 HB3 ASP 56 2HB ASP 56 -15.255 -4.413 2.358 429 H TYR 57 H TYR 57 -11.278 -5.335 0.762 430 HA TYR 57 HA TYR 57 -11.778 -3.224 -0.957 431 HB2 TYR 57 1HB TYR 57 -9.592 -4.434 -0.647 432 HB3 TYR 57 2HB TYR 57 -10.218 -5.707 -1.689 433 HD1 TYR 57 2HD TYR 57 -10.903 -5.066 -4.066 434 HD2 TYR 57 1HD TYR 57 -8.567 -2.538 -1.565 435 HE1 TYR 57 2HE TYR 57 -10.129 -3.831 -6.047 436 HE2 TYR 57 1HE TYR 57 -7.788 -1.295 -3.539 437 HH TYR 57 HH TYR 57 -7.700 -1.280 -5.789 438 H LYS 58 H LYS 58 -13.198 -6.328 -0.907 439 HA LYS 58 HA LYS 58 -13.851 -6.657 -3.626 440 HB2 LYS 58 1HB LYS 58 -15.629 -8.180 -2.787 441 HB3 LYS 58 2HB LYS 58 -14.045 -8.511 -2.097 442 HG2 LYS 58 1HG LYS 58 -14.803 -7.066 -0.129 443 HG3 LYS 58 2HG LYS 58 -16.428 -7.243 -0.796 444 HD2 LYS 58 1HD LYS 58 -14.768 -9.687 -0.414 445 HD3 LYS 58 2HD LYS 58 -15.494 -8.929 1.005 446 HE2 LYS 58 1HE LYS 58 -17.059 -9.661 -1.460 447 HE3 LYS 58 2HE LYS 58 -16.855 -10.750 -0.088 448 HZ1 LYS 58 1HZ LYS 58 -18.793 -8.836 -0.379 449 HZ2 LYS 58 2HZ LYS 58 -17.718 -8.164 0.740 450 HZ3 LYS 58 3HZ LYS 58 -18.416 -9.675 1.041 451 H SER 59 H SER 59 -15.164 -4.634 -1.149 452 HA SER 59 HA SER 59 -17.153 -3.636 -3.067 453 HB2 SER 59 1HB SER 59 -18.029 -5.162 -1.096 454 HB3 SER 59 2HB SER 59 -17.847 -3.681 -0.156 455 HG SER 59 HG SER 59 -19.060 -2.853 -2.232 456 H LEU 60 H LEU 60 -14.508 -2.674 -2.332 457 HA LEU 60 HA LEU 60 -15.030 -0.290 -0.738 458 HB2 LEU 60 1HB LEU 60 -12.583 -1.613 -1.825 459 HB3 LEU 60 2HB LEU 60 -12.520 0.082 -1.348 460 HG LEU 60 HG LEU 60 -12.973 -2.335 0.376 461 HD11 LEU 60 1HD1 LEU 60 -11.198 -0.178 1.231 462 HD12 LEU 60 2HD1 LEU 60 -10.711 -0.955 -0.275 463 HD13 LEU 60 3HD1 LEU 60 -10.931 -1.920 1.185 464 HD21 LEU 60 1HD2 LEU 60 -13.184 -0.435 2.184 465 HD22 LEU 60 2HD2 LEU 60 -14.601 -1.031 1.318 466 HD23 LEU 60 3HD2 LEU 60 -13.834 0.479 0.823 467 H ASN 61 H ASN 61 -13.529 1.642 -1.770 468 HA ASN 61 HA ASN 61 -13.690 1.997 -4.569 469 HB2 ASN 61 1HB ASN 61 -15.978 2.976 -2.912 470 HB3 ASN 61 2HB ASN 61 -15.438 3.958 -4.270 471 HD21 ASN 61 1HD2 ASN 61 -14.766 2.116 -6.128 472 HD22 ASN 61 2HD2 ASN 61 -16.154 1.198 -6.593 473 HA PRO 62 HA PRO 62 -10.950 5.300 -3.659 474 HB2 PRO 62 1HB PRO 62 -11.448 7.041 -5.682 475 HB3 PRO 62 2HB PRO 62 -10.603 5.507 -5.921 476 HG2 PRO 62 1HG PRO 62 -13.473 6.189 -6.432 477 HG3 PRO 62 2HG PRO 62 -12.351 5.247 -7.432 478 HD2 PRO 62 1HD PRO 62 -14.205 4.087 -5.834 479 HD3 PRO 62 2HD PRO 62 -12.630 3.339 -6.169 480 H GLN 63 H GLN 63 -14.188 5.595 -3.179 481 HA GLN 63 HA GLN 63 -14.350 8.440 -2.765 482 HB2 GLN 63 1HB GLN 63 -16.581 7.871 -1.756 483 HB3 GLN 63 2HB GLN 63 -16.366 7.347 -3.421 484 HG2 GLN 63 1HG GLN 63 -17.488 5.666 -2.034 485 HG3 GLN 63 2HG GLN 63 -15.965 5.084 -2.706 486 HE21 GLN 63 1HE2 GLN 63 -15.350 3.621 -1.240 487 HE22 GLN 63 2HE2 GLN 63 -15.086 3.950 0.436 488 H ASP 64 H ASP 64 -13.157 5.818 -1.002 489 HA ASP 64 HA ASP 64 -13.424 7.278 1.541 490 HB2 ASP 64 1HB ASP 64 -13.285 4.385 0.853 491 HB3 ASP 64 2HB ASP 64 -12.541 4.896 2.366 492 H ILE 65 H ILE 65 -11.697 8.435 2.054 493 HA ILE 65 HA ILE 65 -9.067 7.631 1.052 494 HB ILE 65 HB ILE 65 -9.865 10.196 2.432 495 HG12 ILE 65 1HG1 ILE 65 -9.589 9.490 -0.492 496 HG13 ILE 65 2HG1 ILE 65 -11.023 10.086 0.336 497 HG21 ILE 65 1HG2 ILE 65 -7.742 10.962 2.144 498 HG22 ILE 65 2HG2 ILE 65 -7.392 9.243 2.327 499 HG23 ILE 65 3HG2 ILE 65 -7.455 9.964 0.719 500 HD11 ILE 65 1HD1 ILE 65 -9.691 11.707 -1.130 501 HD12 ILE 65 2HD1 ILE 65 -10.189 12.249 0.473 502 HD13 ILE 65 3HD1 ILE 65 -8.527 11.728 0.195 503 H LYS 66 H LYS 66 -10.657 8.565 4.090 504 HA LYS 66 HA LYS 66 -8.358 7.873 5.676 505 HB2 LYS 66 1HB LYS 66 -9.730 9.635 6.509 506 HB3 LYS 66 2HB LYS 66 -11.186 8.660 6.367 507 HG2 LYS 66 1HG LYS 66 -10.780 7.517 8.293 508 HG3 LYS 66 2HG LYS 66 -9.028 7.672 8.147 509 HD2 LYS 66 1HD LYS 66 -9.596 9.057 9.952 510 HD3 LYS 66 2HD LYS 66 -9.392 10.164 8.593 511 HE2 LYS 66 1HE LYS 66 -11.373 10.942 9.411 512 HE3 LYS 66 2HE LYS 66 -11.985 9.709 8.310 513 HZ1 LYS 66 1HZ LYS 66 -12.474 9.905 11.010 514 HZ2 LYS 66 2HZ LYS 66 -11.410 8.600 10.859 515 HZ3 LYS 66 3HZ LYS 66 -12.868 8.606 10.001 516 H GLU 67 H GLU 67 -11.600 6.493 5.185 517 HA GLU 67 HA GLU 67 -11.336 4.299 6.888 518 HB2 GLU 67 1HB GLU 67 -13.468 5.035 5.871 519 HB3 GLU 67 2HB GLU 67 -12.909 4.450 4.311 520 HG2 GLU 67 1HG GLU 67 -12.938 2.197 5.048 521 HG3 GLU 67 2HG GLU 67 -13.192 2.683 6.723 522 H ASN 68 H ASN 68 -10.934 4.351 3.341 523 HA ASN 68 HA ASN 68 -10.114 1.813 2.863 524 HB2 ASN 68 1HB ASN 68 -9.289 4.428 1.657 525 HB3 ASN 68 2HB ASN 68 -8.495 2.946 1.132 526 HD21 ASN 68 1HD2 ASN 68 -9.389 3.350 -0.948 527 HD22 ASN 68 2HD2 ASN 68 -11.033 2.942 -1.289 528 H ASN 69 H ASN 69 -8.007 4.471 3.932 529 HA ASN 69 HA ASN 69 -5.640 2.939 4.050 530 HB2 ASN 69 1HB ASN 69 -6.519 5.580 5.126 531 HB3 ASN 69 2HB ASN 69 -5.057 4.858 5.792 532 HD21 ASN 69 1HD2 ASN 69 -6.606 5.704 2.731 533 HD22 ASN 69 2HD2 ASN 69 -5.144 6.094 1.897 534 H LYS 70 H LYS 70 -7.735 4.083 6.703 535 HA LYS 70 HA LYS 70 -6.566 2.857 8.834 536 HB2 LYS 70 1HB LYS 70 -8.491 4.306 9.093 537 HB3 LYS 70 2HB LYS 70 -9.521 3.143 8.269 538 HG2 LYS 70 1HG LYS 70 -9.946 2.986 10.606 539 HG3 LYS 70 2HG LYS 70 -9.068 1.535 10.116 540 HD2 LYS 70 1HD LYS 70 -7.039 2.346 11.052 541 HD3 LYS 70 2HD LYS 70 -7.719 3.957 11.292 542 HE2 LYS 70 1HE LYS 70 -7.651 2.815 13.407 543 HE3 LYS 70 2HE LYS 70 -9.332 2.983 12.902 544 HZ1 LYS 70 1HZ LYS 70 -9.115 0.797 13.670 545 HZ2 LYS 70 2HZ LYS 70 -7.649 0.550 12.863 546 HZ3 LYS 70 3HZ LYS 70 -9.091 0.657 11.984 547 H LYS 71 H LYS 71 -8.867 1.379 6.575 548 HA LYS 71 HA LYS 71 -9.238 -1.077 7.747 549 HB2 LYS 71 1HB LYS 71 -8.975 -0.351 4.829 550 HB3 LYS 71 2HB LYS 71 -9.460 -1.951 5.376 551 HG2 LYS 71 1HG LYS 71 -11.263 -0.616 6.721 552 HG3 LYS 71 2HG LYS 71 -10.939 0.628 5.511 553 HD2 LYS 71 1HD LYS 71 -11.764 -0.645 3.784 554 HD3 LYS 71 2HD LYS 71 -11.421 -2.171 4.604 555 HE2 LYS 71 1HE LYS 71 -13.718 -2.068 4.756 556 HE3 LYS 71 2HE LYS 71 -13.230 -1.349 6.290 557 HZ1 LYS 71 1HZ LYS 71 -13.469 0.559 4.154 558 HZ2 LYS 71 2HZ LYS 71 -14.099 0.609 5.722 559 HZ3 LYS 71 3HZ LYS 71 -14.925 -0.227 4.506 560 H ALA 72 H ALA 72 -6.707 -0.294 5.355 561 HA ALA 72 HA ALA 72 -5.359 -2.720 5.427 562 HB1 ALA 72 1HB ALA 72 -3.350 -1.339 4.712 563 HB2 ALA 72 2HB ALA 72 -4.795 -1.218 3.707 564 HB3 ALA 72 3HB ALA 72 -4.404 0.069 4.847 565 H TYR 73 H TYR 73 -4.311 0.260 7.094 566 HA TYR 73 HA TYR 73 -2.268 -0.620 8.595 567 HB2 TYR 73 1HB TYR 73 -4.513 1.123 9.631 568 HB3 TYR 73 2HB TYR 73 -2.902 1.009 10.330 569 HD1 TYR 73 1HD TYR 73 -1.251 1.008 7.853 570 HD2 TYR 73 2HD TYR 73 -4.630 3.355 8.935 571 HE1 TYR 73 1HE TYR 73 -0.474 2.803 6.362 572 HE2 TYR 73 2HE TYR 73 -3.863 5.157 7.447 573 HH TYR 73 HH TYR 73 -2.105 5.922 6.237 574 H ASP 74 H ASP 74 -5.601 -1.511 9.010 575 HA ASP 74 HA ASP 74 -5.237 -2.698 11.605 576 HB2 ASP 74 1HB ASP 74 -7.419 -1.760 10.721 577 HB3 ASP 74 2HB ASP 74 -7.517 -3.182 9.685 578 H GLY 75 H GLY 75 -5.546 -3.888 8.276 579 HA2 GLY 75 1HA GLY 75 -5.323 -6.644 9.013 580 HA3 GLY 75 2HA GLY 75 -5.210 -5.989 7.386 581 H PHE 76 H PHE 76 -3.053 -4.260 7.688 582 HA PHE 76 HA PHE 76 -0.887 -6.049 7.402 583 HB2 PHE 76 1HB PHE 76 -1.078 -3.052 7.599 584 HB3 PHE 76 2HB PHE 76 0.478 -3.865 7.473 585 HD1 PHE 76 1HD PHE 76 0.154 -5.923 5.559 586 HD2 PHE 76 2HD PHE 76 -1.628 -2.058 5.611 587 HE1 PHE 76 1HE PHE 76 -0.084 -6.004 3.112 588 HE2 PHE 76 2HE PHE 76 -1.870 -2.133 3.164 589 HZ PHE 76 HZ PHE 76 -1.098 -4.108 1.911 590 H ALA 77 H ALA 77 -1.716 -3.734 9.969 591 HA ALA 77 HA ALA 77 0.497 -4.309 11.622 592 HB1 ALA 77 1HB ALA 77 -0.738 -3.154 13.375 593 HB2 ALA 77 2HB ALA 77 -0.839 -2.272 11.850 594 HB3 ALA 77 3HB ALA 77 -2.210 -3.233 12.406 595 H SER 78 H SER 78 -2.556 -5.893 11.142 596 HA SER 78 HA SER 78 -2.800 -7.307 13.534 597 HB2 SER 78 1HB SER 78 -3.776 -7.698 10.745 598 HB3 SER 78 2HB SER 78 -3.883 -9.071 11.847 599 HG SER 78 HG SER 78 -4.818 -7.244 13.293 600 H ILE 79 H ILE 79 -1.095 -8.175 10.544 601 HA ILE 79 HA ILE 79 -0.178 -10.689 11.528 602 HB ILE 79 HB ILE 79 1.421 -10.556 9.569 603 HG12 ILE 79 1HG1 ILE 79 -0.210 -8.130 8.815 604 HG13 ILE 79 2HG1 ILE 79 1.383 -8.014 9.555 605 HG21 ILE 79 1HG2 ILE 79 -0.192 -11.637 8.495 606 HG22 ILE 79 2HG2 ILE 79 -1.343 -11.027 9.682 607 HG23 ILE 79 3HG2 ILE 79 -1.055 -10.130 8.191 608 HD11 ILE 79 1HD1 ILE 79 2.408 -8.422 7.628 609 HD12 ILE 79 2HD1 ILE 79 1.346 -9.779 7.252 610 HD13 ILE 79 3HD1 ILE 79 0.844 -8.133 6.868 611 H GLY 80 H GLY 80 1.133 -7.427 11.457 612 HA2 GLY 80 1HA GLY 80 2.641 -7.193 13.545 613 HA3 GLY 80 2HA GLY 80 3.612 -8.397 12.710 614 H ILE 81 H ILE 81 1.874 -5.772 11.143 615 HA ILE 81 HA ILE 81 4.460 -4.717 10.228 616 HB ILE 81 HB ILE 81 1.699 -4.459 9.038 617 HG12 ILE 81 1HG1 ILE 81 4.234 -5.835 8.131 618 HG13 ILE 81 2HG1 ILE 81 2.712 -6.599 8.577 619 HG21 ILE 81 1HG2 ILE 81 2.819 -2.359 8.728 620 HG22 ILE 81 2HG2 ILE 81 4.287 -3.172 8.190 621 HG23 ILE 81 3HG2 ILE 81 2.831 -3.234 7.197 622 HD11 ILE 81 1HD1 ILE 81 1.859 -5.017 6.590 623 HD12 ILE 81 2HD1 ILE 81 3.518 -5.302 6.063 624 HD13 ILE 81 3HD1 ILE 81 2.437 -6.666 6.349 625 H SER 82 H SER 82 5.081 -3.194 11.658 626 HA SER 82 HA SER 82 3.461 -1.543 13.190 627 HB2 SER 82 1HB SER 82 6.232 -0.939 12.129 628 HB3 SER 82 2HB SER 82 5.449 -0.121 13.482 629 HG SER 82 HG SER 82 6.889 -1.821 14.123 630 H ARG 83 H ARG 83 2.223 0.159 12.759 631 HA ARG 83 HA ARG 83 2.018 1.148 10.068 632 HB2 ARG 83 1HB ARG 83 0.633 2.090 12.586 633 HB3 ARG 83 2HB ARG 83 0.193 2.530 10.942 634 HG2 ARG 83 1HG ARG 83 -0.688 0.450 10.477 635 HG3 ARG 83 2HG ARG 83 0.250 -0.344 11.744 636 HD2 ARG 83 1HD ARG 83 -1.811 1.707 12.448 637 HD3 ARG 83 2HD ARG 83 -2.295 0.051 12.083 638 HE ARG 83 HE ARG 83 -1.213 -0.675 14.024 639 HH11 ARG 83 1HH1 ARG 83 -0.853 2.754 13.543 640 HH12 ARG 83 2HH1 ARG 83 -0.323 3.058 15.164 641 HH21 ARG 83 1HH2 ARG 83 -0.516 -0.288 16.161 642 HH22 ARG 83 2HH2 ARG 83 -0.131 1.327 16.653 643 H LEU 84 H LEU 84 3.002 2.863 9.224 644 HA LEU 84 HA LEU 84 4.426 4.683 11.046 645 HB2 LEU 84 1HB LEU 84 4.938 4.213 8.115 646 HB3 LEU 84 2HB LEU 84 5.924 5.166 9.222 647 HG LEU 84 HG LEU 84 5.524 2.186 9.454 648 HD11 LEU 84 1HD1 LEU 84 7.103 3.658 7.595 649 HD12 LEU 84 2HD1 LEU 84 6.989 1.913 7.817 650 HD13 LEU 84 3HD1 LEU 84 8.173 2.843 8.736 651 HD21 LEU 84 1HD2 LEU 84 6.337 3.943 11.359 652 HD22 LEU 84 2HD2 LEU 84 7.875 3.504 10.615 653 HD23 LEU 84 3HD2 LEU 84 6.828 2.250 11.281 654 H LEU 85 H LEU 85 2.248 4.519 8.295 655 HA LEU 85 HA LEU 85 1.933 7.438 8.367 656 HB2 LEU 85 1HB LEU 85 2.441 6.180 6.208 657 HB3 LEU 85 2HB LEU 85 0.790 5.573 6.307 658 HG LEU 85 HG LEU 85 0.050 8.001 6.320 659 HD11 LEU 85 1HD1 LEU 85 1.513 9.697 5.699 660 HD12 LEU 85 2HD1 LEU 85 2.741 8.565 5.132 661 HD13 LEU 85 3HD1 LEU 85 2.450 8.757 6.861 662 HD21 LEU 85 1HD2 LEU 85 1.044 8.033 3.731 663 HD22 LEU 85 2HD2 LEU 85 -0.481 7.327 4.266 664 HD23 LEU 85 3HD2 LEU 85 0.963 6.321 4.147 665 H GLU 86 H GLU 86 -0.198 8.352 8.333 666 HA GLU 86 HA GLU 86 -2.174 6.634 9.679 667 HB2 GLU 86 1HB GLU 86 -1.875 9.641 9.781 668 HB3 GLU 86 2HB GLU 86 -3.106 8.710 10.622 669 HG2 GLU 86 1HG GLU 86 -0.141 8.689 11.106 670 HG3 GLU 86 2HG GLU 86 -1.411 9.257 12.189 671 HA PRO 87 HA PRO 87 -4.937 7.066 6.290 672 HB2 PRO 87 1HB PRO 87 -7.312 6.816 7.580 673 HB3 PRO 87 2HB PRO 87 -6.218 5.454 7.309 674 HG2 PRO 87 1HG PRO 87 -6.595 7.122 9.767 675 HG3 PRO 87 2HG PRO 87 -6.413 5.363 9.625 676 HD2 PRO 87 1HD PRO 87 -4.369 6.985 10.348 677 HD3 PRO 87 2HD PRO 87 -4.120 5.490 9.424 678 H SER 88 H SER 88 -6.053 8.844 9.179 679 HA SER 88 HA SER 88 -7.625 10.720 7.842 680 HB2 SER 88 1HB SER 88 -7.902 10.559 10.189 681 HB3 SER 88 2HB SER 88 -6.183 10.813 10.490 682 HG SER 88 HG SER 88 -6.474 12.959 9.676 683 H ASP 89 H ASP 89 -4.282 11.085 9.028 684 HA ASP 89 HA ASP 89 -3.606 13.571 8.326 685 HB2 ASP 89 1HB ASP 89 -2.125 11.523 9.058 686 HB3 ASP 89 2HB ASP 89 -1.780 11.416 7.334 687 H MET 90 H MET 90 -3.934 10.898 6.023 688 HA MET 90 HA MET 90 -3.086 12.182 3.716 689 HB2 MET 90 1HB MET 90 -5.287 10.130 4.008 690 HB3 MET 90 2HB MET 90 -4.506 10.566 2.494 691 HG2 MET 90 1HG MET 90 -2.849 9.611 4.779 692 HG3 MET 90 2HG MET 90 -3.757 8.451 3.812 693 HE1 MET 90 1HE MET 90 -0.949 7.493 1.704 694 HE2 MET 90 2HE MET 90 -2.093 7.113 2.992 695 HE3 MET 90 3HE MET 90 -2.682 7.509 1.376 696 H VAL 91 H VAL 91 -6.328 12.101 5.160 697 HA VAL 91 HA VAL 91 -7.550 13.682 3.138 698 HB VAL 91 HB VAL 91 -8.491 13.336 5.985 699 HG11 VAL 91 1HG1 VAL 91 -9.477 15.017 4.139 700 HG12 VAL 91 2HG1 VAL 91 -10.375 13.555 3.723 701 HG13 VAL 91 3HG1 VAL 91 -10.474 14.219 5.355 702 HG21 VAL 91 1HG2 VAL 91 -8.075 11.152 5.022 703 HG22 VAL 91 2HG2 VAL 91 -9.812 11.437 5.129 704 HG23 VAL 91 3HG2 VAL 91 -8.988 11.587 3.577 705 H LEU 92 H LEU 92 -6.345 14.429 6.398 706 HA LEU 92 HA LEU 92 -7.050 17.054 6.648 707 HB2 LEU 92 1HB LEU 92 -4.341 15.959 7.378 708 HB3 LEU 92 2HB LEU 92 -5.153 17.347 8.099 709 HG LEU 92 HG LEU 92 -6.109 14.493 8.315 710 HD11 LEU 92 1HD1 LEU 92 -3.962 15.753 9.631 711 HD12 LEU 92 2HD1 LEU 92 -4.701 14.194 9.998 712 HD13 LEU 92 3HD1 LEU 92 -5.288 15.656 10.790 713 HD21 LEU 92 1HD2 LEU 92 -6.991 16.547 10.222 714 HD22 LEU 92 2HD2 LEU 92 -7.899 15.250 9.443 715 HD23 LEU 92 3HD2 LEU 92 -7.583 16.752 8.573 716 H LEU 93 H LEU 93 -4.010 15.906 5.177 717 HA LEU 93 HA LEU 93 -3.562 18.544 4.029 718 HB2 LEU 93 1HB LEU 93 -1.401 17.653 3.334 719 HB3 LEU 93 2HB LEU 93 -1.681 17.414 5.058 720 HG LEU 93 HG LEU 93 -2.495 15.032 4.204 721 HD11 LEU 93 1HD1 LEU 93 -0.882 16.163 1.987 722 HD12 LEU 93 2HD1 LEU 93 -2.218 15.013 1.947 723 HD13 LEU 93 3HD1 LEU 93 -0.608 14.477 2.429 724 HD21 LEU 93 1HD2 LEU 93 -0.719 14.341 5.359 725 HD22 LEU 93 2HD2 LEU 93 -0.293 16.045 5.523 726 HD23 LEU 93 3HD2 LEU 93 0.409 15.082 4.223 727 H ALA 94 H ALA 94 -2.547 18.384 1.692 728 HA ALA 94 HA ALA 94 -4.651 17.292 0.020 729 HB1 ALA 94 1HB ALA 94 -3.145 18.443 -1.787 730 HB2 ALA 94 2HB ALA 94 -4.145 19.412 -0.704 731 HB3 ALA 94 3HB ALA 94 -2.421 19.228 -0.384 732 H ILE 95 H ILE 95 -1.094 17.288 -0.285 733 HA ILE 95 HA ILE 95 -1.293 14.541 -1.336 734 HB ILE 95 HB ILE 95 0.762 16.642 -2.037 735 HG12 ILE 95 1HG1 ILE 95 -1.505 17.004 -3.015 736 HG13 ILE 95 2HG1 ILE 95 -0.265 16.690 -4.224 737 HG21 ILE 95 1HG2 ILE 95 1.331 14.076 -1.967 738 HG22 ILE 95 2HG2 ILE 95 0.468 14.069 -3.504 739 HG23 ILE 95 3HG2 ILE 95 1.888 15.094 -3.295 740 HD11 ILE 95 1HD1 ILE 95 -1.375 14.941 -4.998 741 HD12 ILE 95 2HD1 ILE 95 -1.525 14.243 -3.385 742 HD13 ILE 95 3HD1 ILE 95 -2.714 15.414 -3.953 743 HA PRO 96 HA PRO 96 1.173 13.387 2.154 744 HB2 PRO 96 1HB PRO 96 1.794 10.880 1.318 745 HB3 PRO 96 2HB PRO 96 0.201 11.315 1.948 746 HG2 PRO 96 1HG PRO 96 1.101 11.030 -0.893 747 HG3 PRO 96 2HG PRO 96 -0.403 10.475 -0.135 748 HD2 PRO 96 1HD PRO 96 -0.270 12.731 -1.626 749 HD3 PRO 96 2HD PRO 96 -1.379 12.560 -0.251 750 H ASP 97 H ASP 97 3.365 12.214 2.464 751 HA ASP 97 HA ASP 97 5.289 13.553 0.725 752 HB2 ASP 97 1HB ASP 97 5.373 12.415 3.488 753 HB3 ASP 97 2HB ASP 97 6.879 12.558 2.586 754 H LYS 98 H LYS 98 5.640 12.369 -1.071 755 HA LYS 98 HA LYS 98 5.439 9.776 -1.642 756 HB2 LYS 98 1HB LYS 98 6.247 11.324 -3.297 757 HB3 LYS 98 2HB LYS 98 7.738 11.582 -2.401 758 HG2 LYS 98 1HG LYS 98 8.046 9.010 -2.751 759 HG3 LYS 98 2HG LYS 98 6.910 9.265 -4.078 760 HD2 LYS 98 1HD LYS 98 8.400 11.040 -4.953 761 HD3 LYS 98 2HD LYS 98 9.555 10.662 -3.673 762 HE2 LYS 98 1HE LYS 98 10.136 8.644 -4.609 763 HE3 LYS 98 2HE LYS 98 8.591 8.464 -5.440 764 HZ1 LYS 98 1HZ LYS 98 10.794 10.308 -6.189 765 HZ2 LYS 98 2HZ LYS 98 9.283 10.262 -6.947 766 HZ3 LYS 98 3HZ LYS 98 10.311 8.921 -7.029 767 H LEU 99 H LEU 99 8.350 11.150 -0.114 768 HA LEU 99 HA LEU 99 9.888 8.912 0.169 769 HB2 LEU 99 1HB LEU 99 9.483 11.296 1.927 770 HB3 LEU 99 2HB LEU 99 10.556 9.994 2.438 771 HG LEU 99 HG LEU 99 11.457 12.125 1.167 772 HD11 LEU 99 1HD1 LEU 99 12.843 10.319 1.986 773 HD12 LEU 99 2HD1 LEU 99 13.328 10.755 0.347 774 HD13 LEU 99 3HD1 LEU 99 12.367 9.303 0.626 775 HD21 LEU 99 1HD2 LEU 99 10.661 10.270 -1.074 776 HD22 LEU 99 2HD2 LEU 99 11.720 11.672 -1.232 777 HD23 LEU 99 3HD2 LEU 99 10.029 11.891 -0.781 778 H THR 100 H THR 100 8.046 10.083 2.972 779 HA THR 100 HA THR 100 8.087 7.877 4.531 780 HB THR 100 HB THR 100 5.579 9.521 4.163 781 HG1 THR 100 1HG THR 100 8.050 10.102 5.382 782 HG21 THR 100 1HG2 THR 100 4.831 8.175 5.786 783 HG22 THR 100 2HG2 THR 100 5.984 8.981 6.850 784 HG23 THR 100 3HG2 THR 100 6.429 7.477 6.045 785 H VAL 101 H VAL 101 5.274 8.540 2.437 786 HA VAL 101 HA VAL 101 3.865 6.277 2.597 787 HB VAL 101 HB VAL 101 4.575 7.630 -0.010 788 HG11 VAL 101 1HG1 VAL 101 2.063 6.081 0.501 789 HG12 VAL 101 2HG1 VAL 101 2.802 6.535 -1.036 790 HG13 VAL 101 3HG1 VAL 101 3.528 5.267 -0.048 791 HG21 VAL 101 1HG2 VAL 101 2.903 8.382 2.240 792 HG22 VAL 101 2HG2 VAL 101 3.445 9.345 0.865 793 HG23 VAL 101 3HG2 VAL 101 2.004 8.339 0.723 794 H MET 102 H MET 102 6.603 6.613 0.331 795 HA MET 102 HA MET 102 6.616 3.953 -0.541 796 HB2 MET 102 1HB MET 102 8.826 6.004 -0.400 797 HB3 MET 102 2HB MET 102 9.013 4.437 -1.175 798 HG2 MET 102 1HG MET 102 7.193 4.995 -2.718 799 HG3 MET 102 2HG MET 102 7.044 6.575 -1.952 800 HE1 MET 102 1HE MET 102 10.262 4.451 -2.924 801 HE2 MET 102 2HE MET 102 9.117 4.250 -4.251 802 HE3 MET 102 3HE MET 102 10.610 5.155 -4.503 803 H THR 103 H THR 103 8.166 5.506 2.211 804 HA THR 103 HA THR 103 9.897 3.453 2.975 805 HB THR 103 HB THR 103 8.432 5.337 4.832 806 HG1 THR 103 1HG THR 103 9.566 6.468 3.191 807 HG21 THR 103 1HG2 THR 103 10.460 5.044 6.239 808 HG22 THR 103 2HG2 THR 103 11.015 3.800 5.119 809 HG23 THR 103 3HG2 THR 103 9.531 3.559 6.040 810 H TYR 104 H TYR 104 6.529 4.057 3.936 811 HA TYR 104 HA TYR 104 6.322 1.841 5.675 812 HB2 TYR 104 1HB TYR 104 4.765 3.751 5.732 813 HB3 TYR 104 2HB TYR 104 4.132 3.277 4.160 814 HD1 TYR 104 2HD TYR 104 4.914 1.328 7.253 815 HD2 TYR 104 1HD TYR 104 1.970 2.507 4.416 816 HE1 TYR 104 2HE TYR 104 3.271 -0.130 8.359 817 HE2 TYR 104 1HE TYR 104 0.319 1.053 5.515 818 HH TYR 104 HH TYR 104 0.504 -0.045 8.453 819 H LEU 105 H LEU 105 5.548 2.273 2.250 820 HA LEU 105 HA LEU 105 4.312 -0.175 1.770 821 HB2 LEU 105 1HB LEU 105 5.812 1.781 0.108 822 HB3 LEU 105 2HB LEU 105 5.468 0.195 -0.581 823 HG LEU 105 HG LEU 105 3.294 1.928 0.558 824 HD11 LEU 105 1HD1 LEU 105 2.870 2.766 -1.680 825 HD12 LEU 105 2HD1 LEU 105 4.283 1.906 -2.290 826 HD13 LEU 105 3HD1 LEU 105 4.484 3.231 -1.144 827 HD21 LEU 105 1HD2 LEU 105 3.180 -0.636 -0.100 828 HD22 LEU 105 2HD2 LEU 105 2.961 0.044 -1.713 829 HD23 LEU 105 3HD2 LEU 105 1.842 0.468 -0.416 830 H TYR 106 H TYR 106 7.744 0.679 1.313 831 HA TYR 106 HA TYR 106 8.775 -1.683 0.455 832 HB2 TYR 106 1HB TYR 106 9.864 0.419 2.289 833 HB3 TYR 106 2HB TYR 106 10.802 -1.041 1.997 834 HD1 TYR 106 2HD TYR 106 10.303 -1.570 -0.834 835 HD2 TYR 106 1HD TYR 106 10.960 2.129 1.163 836 HE1 TYR 106 2HE TYR 106 11.166 -0.602 -2.923 837 HE2 TYR 106 1HE TYR 106 11.823 3.108 -0.922 838 HH TYR 106 HH TYR 106 12.249 1.152 -3.831 839 H GLN 107 H GLN 107 7.838 -0.874 3.755 840 HA GLN 107 HA GLN 107 8.900 -3.115 5.053 841 HB2 GLN 107 1HB GLN 107 6.421 -1.522 5.729 842 HB3 GLN 107 2HB GLN 107 7.224 -2.650 6.813 843 HG2 GLN 107 1HG GLN 107 8.830 -0.442 5.648 844 HG3 GLN 107 2HG GLN 107 7.671 -0.057 6.920 845 HE21 GLN 107 1HE2 GLN 107 10.683 -0.143 6.758 846 HE22 GLN 107 2HE2 GLN 107 11.155 -1.078 8.132 847 H ILE 108 H ILE 108 5.630 -2.590 3.746 848 HA ILE 108 HA ILE 108 4.590 -5.106 4.380 849 HB ILE 108 HB ILE 108 3.876 -3.258 2.102 850 HG12 ILE 108 1HG1 ILE 108 1.823 -3.044 3.774 851 HG13 ILE 108 2HG1 ILE 108 3.036 -3.530 4.953 852 HG21 ILE 108 1HG2 ILE 108 1.840 -4.504 1.841 853 HG22 ILE 108 2HG2 ILE 108 3.203 -5.612 1.691 854 HG23 ILE 108 3HG2 ILE 108 2.267 -5.563 3.185 855 HD11 ILE 108 1HD1 ILE 108 2.544 -0.966 3.923 856 HD12 ILE 108 2HD1 ILE 108 3.817 -1.467 5.036 857 HD13 ILE 108 3HD1 ILE 108 4.112 -1.473 3.297 858 H ARG 109 H ARG 109 5.872 -3.979 1.244 859 HA ARG 109 HA ARG 109 5.714 -6.334 -0.166 860 HB2 ARG 109 1HB ARG 109 6.352 -4.361 -1.323 861 HB3 ARG 109 2HB ARG 109 7.747 -4.113 -0.281 862 HG2 ARG 109 1HG ARG 109 8.578 -6.360 -1.236 863 HG3 ARG 109 2HG ARG 109 7.381 -6.079 -2.503 864 HD2 ARG 109 1HD ARG 109 8.473 -3.746 -2.693 865 HD3 ARG 109 2HD ARG 109 9.815 -4.474 -1.811 866 HE ARG 109 HE ARG 109 9.118 -4.902 -4.555 867 HH11 ARG 109 1HH1 ARG 109 10.628 -6.324 -1.759 868 HH12 ARG 109 2HH1 ARG 109 11.632 -7.393 -2.682 869 HH21 ARG 109 1HH2 ARG 109 10.435 -6.304 -5.782 870 HH22 ARG 109 2HH2 ARG 109 11.522 -7.380 -4.971 871 H ALA 110 H ALA 110 8.204 -5.315 2.115 872 HA ALA 110 HA ALA 110 9.957 -7.501 1.642 873 HB1 ALA 110 1HB ALA 110 11.125 -6.776 3.622 874 HB2 ALA 110 2HB ALA 110 10.665 -5.366 2.666 875 HB3 ALA 110 3HB ALA 110 9.750 -5.787 4.113 876 H HIS 111 H HIS 111 7.389 -6.896 4.001 877 HA HIS 111 HA HIS 111 7.737 -9.070 5.672 878 HB2 HIS 111 1HB HIS 111 6.096 -7.239 6.032 879 HB3 HIS 111 2HB HIS 111 5.087 -7.927 4.764 880 HD1 HIS 111 1HD HIS 111 5.671 -8.060 8.337 881 HD2 HIS 111 2HD HIS 111 4.145 -10.632 5.453 882 HE1 HIS 111 1HE HIS 111 4.397 -9.816 9.609 883 HE2 HIS 111 2HE HIS 111 3.554 -11.408 7.849 884 H PHE 112 H PHE 112 5.769 -8.902 2.710 885 HA PHE 112 HA PHE 112 5.176 -11.713 2.786 886 HB2 PHE 112 1HB PHE 112 4.668 -9.548 0.748 887 HB3 PHE 112 2HB PHE 112 4.228 -11.230 0.469 888 HD1 PHE 112 2HD PHE 112 3.599 -8.284 2.594 889 HD2 PHE 112 1HD PHE 112 2.305 -12.178 1.463 890 HE1 PHE 112 2HE PHE 112 1.475 -7.920 3.782 891 HE2 PHE 112 1HE PHE 112 0.178 -11.820 2.648 892 HZ PHE 112 HZ PHE 112 -0.238 -9.689 3.810 893 H SER 113 H SER 113 7.082 -9.632 0.610 894 HA SER 113 HA SER 113 8.363 -12.005 -0.515 895 HB2 SER 113 1HB SER 113 8.304 -9.102 -1.330 896 HB3 SER 113 2HB SER 113 9.424 -10.252 -2.060 897 HG SER 113 HG SER 113 7.428 -11.542 -2.454 898 H SER 114 H SER 114 10.313 -12.663 0.094 899 HA SER 114 HA SER 114 11.799 -11.116 2.037 900 HB2 SER 114 1HB SER 114 13.136 -13.084 2.345 901 HB3 SER 114 2HB SER 114 11.460 -13.613 2.205 902 HG SER 114 HG SER 114 13.549 -13.818 0.323 903 H GLY 115 H GLY 115 14.154 -10.813 1.816 904 HA2 GLY 115 1HA GLY 115 15.453 -10.957 -0.694 905 HA3 GLY 115 2HA GLY 115 14.816 -9.337 -0.452 906 HA PRO 116 HA PRO 116 18.519 -8.331 1.683 907 HB2 PRO 116 1HB PRO 116 17.636 -6.219 3.142 908 HB3 PRO 116 2HB PRO 116 17.915 -6.132 1.399 909 HG2 PRO 116 1HG PRO 116 15.347 -6.510 2.891 910 HG3 PRO 116 2HG PRO 116 15.684 -5.481 1.486 911 HD2 PRO 116 1HD PRO 116 14.466 -7.890 1.269 912 HD3 PRO 116 2HD PRO 116 15.526 -7.239 0.003 913 H SER 117 H SER 117 15.768 -9.554 3.203 914 HA SER 117 HA SER 117 15.984 -9.264 5.869 915 HB2 SER 117 1HB SER 117 15.167 -11.564 6.136 916 HB3 SER 117 2HB SER 117 14.352 -10.764 4.792 917 HG SER 117 HG SER 117 15.201 -12.156 3.462 918 H SER 118 H SER 118 17.040 -10.430 7.585 919 HA SER 118 HA SER 118 19.736 -10.379 7.624 920 HB2 SER 118 1HB SER 118 18.129 -12.511 9.050 921 HB3 SER 118 2HB SER 118 19.694 -11.860 9.537 922 HG SER 118 HG SER 118 18.443 -10.596 10.691 923 H GLY 119 H GLY 119 21.446 -11.627 7.033 924 HA2 GLY 119 1HA GLY 119 21.387 -14.349 6.393 925 HA3 GLY 119 2HA GLY 119 21.127 -13.451 4.904 Start of MODEL 11 1 H1 GLY 1 H GLY 1 12.619 -14.778 -13.964 2 HA2 GLY 1 1HA GLY 1 11.158 -13.097 -14.520 3 HA3 GLY 1 2HA GLY 1 12.450 -11.980 -14.108 4 H SER 2 H SER 2 11.964 -10.563 -15.783 5 HA SER 2 HA SER 2 13.280 -11.028 -18.227 6 HB2 SER 2 1HB SER 2 11.442 -12.444 -18.840 7 HB3 SER 2 2HB SER 2 10.265 -11.253 -18.288 8 HG SER 2 HG SER 2 10.538 -10.130 -20.074 9 H SER 3 H SER 3 14.089 -9.067 -18.518 10 HA SER 3 HA SER 3 14.290 -6.808 -18.701 11 HB2 SER 3 1HB SER 3 12.404 -7.262 -20.359 12 HB3 SER 3 2HB SER 3 11.299 -6.716 -19.098 13 HG SER 3 HG SER 3 11.778 -4.760 -19.655 14 H GLY 4 H GLY 4 14.146 -7.753 -16.114 15 HA2 GLY 4 1HA GLY 4 12.479 -5.741 -14.739 16 HA3 GLY 4 2HA GLY 4 12.986 -7.266 -14.027 17 H SER 5 H SER 5 13.910 -6.251 -12.235 18 HA SER 5 HA SER 5 16.527 -5.047 -12.785 19 HB2 SER 5 1HB SER 5 14.454 -3.926 -10.886 20 HB3 SER 5 2HB SER 5 16.136 -3.401 -10.942 21 HG SER 5 HG SER 5 14.609 -2.120 -12.202 22 H SER 6 H SER 6 18.120 -5.542 -11.320 23 HA SER 6 HA SER 6 17.537 -7.772 -9.551 24 HB2 SER 6 1HB SER 6 19.585 -7.479 -11.179 25 HB3 SER 6 2HB SER 6 20.270 -6.575 -9.828 26 HG SER 6 HG SER 6 19.290 -8.751 -8.780 27 H GLY 7 H GLY 7 17.401 -7.664 -7.396 28 HA2 GLY 7 1HA GLY 7 17.610 -6.862 -5.242 29 HA3 GLY 7 2HA GLY 7 18.739 -5.660 -5.849 30 HA PRO 8 HA PRO 8 14.279 -4.001 -5.064 31 HB2 PRO 8 1HB PRO 8 14.385 -3.375 -2.424 32 HB3 PRO 8 2HB PRO 8 13.787 -4.928 -3.020 33 HG2 PRO 8 1HG PRO 8 16.479 -4.235 -1.910 34 HG3 PRO 8 2HG PRO 8 15.474 -5.662 -1.598 35 HD2 PRO 8 1HD PRO 8 17.570 -5.703 -3.312 36 HD3 PRO 8 2HD PRO 8 16.121 -6.701 -3.552 37 H ASN 9 H ASN 9 17.452 -3.136 -4.942 38 HA ASN 9 HA ASN 9 17.219 -0.455 -3.954 39 HB2 ASN 9 1HB ASN 9 19.400 -1.767 -5.593 40 HB3 ASN 9 2HB ASN 9 19.519 -0.184 -4.830 41 HD21 ASN 9 1HD2 ASN 9 21.022 -0.491 -3.319 42 HD22 ASN 9 2HD2 ASN 9 20.944 -1.678 -2.067 43 H ALA 10 H ALA 10 15.205 -0.470 -5.593 44 HA ALA 10 HA ALA 10 15.766 1.542 -7.484 45 HB1 ALA 10 1HB ALA 10 15.590 0.467 -9.553 46 HB2 ALA 10 2HB ALA 10 16.684 -0.557 -8.623 47 HB3 ALA 10 3HB ALA 10 14.997 -1.028 -8.828 48 H SER 11 H SER 11 13.987 2.729 -7.376 49 HA SER 11 HA SER 11 11.647 2.278 -6.186 50 HB2 SER 11 1HB SER 11 12.375 4.376 -7.443 51 HB3 SER 11 2HB SER 11 11.673 3.638 -8.882 52 HG SER 11 HG SER 11 9.692 3.816 -8.030 53 H GLN 12 H GLN 12 12.294 1.379 -9.563 54 HA GLN 12 HA GLN 12 9.872 0.391 -10.339 55 HB2 GLN 12 1HB GLN 12 12.108 0.466 -11.617 56 HB3 GLN 12 2HB GLN 12 12.400 -1.127 -10.932 57 HG2 GLN 12 1HG GLN 12 11.480 -1.679 -12.947 58 HG3 GLN 12 2HG GLN 12 10.048 -1.666 -11.919 59 HE21 GLN 12 1HE2 GLN 12 8.529 -1.120 -13.376 60 HE22 GLN 12 2HE2 GLN 12 8.513 0.362 -14.264 61 H SER 13 H SER 13 12.389 -1.443 -8.611 62 HA SER 13 HA SER 13 11.306 -3.902 -8.398 63 HB2 SER 13 1HB SER 13 12.498 -4.209 -6.352 64 HB3 SER 13 2HB SER 13 13.434 -3.056 -7.303 65 HG SER 13 HG SER 13 12.863 -1.459 -5.969 66 H LEU 14 H LEU 14 10.437 -1.147 -6.325 67 HA LEU 14 HA LEU 14 8.377 -2.617 -4.969 68 HB2 LEU 14 1HB LEU 14 9.384 -0.935 -3.692 69 HB3 LEU 14 2HB LEU 14 9.253 0.250 -4.990 70 HG LEU 14 HG LEU 14 6.726 0.113 -4.622 71 HD11 LEU 14 1HD1 LEU 14 7.747 -1.445 -2.287 72 HD12 LEU 14 2HD1 LEU 14 6.353 -1.755 -3.320 73 HD13 LEU 14 3HD1 LEU 14 6.294 -0.458 -2.126 74 HD21 LEU 14 1HD2 LEU 14 8.102 1.206 -2.211 75 HD22 LEU 14 2HD2 LEU 14 6.820 1.913 -3.195 76 HD23 LEU 14 3HD2 LEU 14 8.477 1.876 -3.800 77 H LEU 15 H LEU 15 8.223 0.314 -7.003 78 HA LEU 15 HA LEU 15 5.590 0.606 -7.404 79 HB2 LEU 15 1HB LEU 15 7.516 1.853 -8.501 80 HB3 LEU 15 2HB LEU 15 7.469 0.612 -9.750 81 HG LEU 15 HG LEU 15 4.927 1.349 -9.873 82 HD11 LEU 15 1HD1 LEU 15 6.285 3.897 -9.016 83 HD12 LEU 15 2HD1 LEU 15 5.216 2.950 -7.982 84 HD13 LEU 15 3HD1 LEU 15 4.593 3.676 -9.463 85 HD21 LEU 15 1HD2 LEU 15 5.764 3.164 -11.536 86 HD22 LEU 15 2HD2 LEU 15 6.139 1.467 -11.834 87 HD23 LEU 15 3HD2 LEU 15 7.362 2.531 -11.138 88 H VAL 16 H VAL 16 7.572 -1.930 -8.814 89 HA VAL 16 HA VAL 16 5.538 -2.949 -10.541 90 HB VAL 16 HB VAL 16 8.029 -4.307 -9.502 91 HG11 VAL 16 1HG1 VAL 16 7.503 -6.121 -10.692 92 HG12 VAL 16 2HG1 VAL 16 5.866 -5.465 -10.762 93 HG13 VAL 16 3HG1 VAL 16 6.996 -5.162 -12.082 94 HG21 VAL 16 1HG2 VAL 16 7.948 -2.101 -11.068 95 HG22 VAL 16 2HG2 VAL 16 9.225 -3.315 -11.133 96 HG23 VAL 16 3HG2 VAL 16 7.894 -3.374 -12.288 97 H TRP 17 H TRP 17 6.929 -4.154 -7.486 98 HA TRP 17 HA TRP 17 5.564 -6.389 -6.979 99 HB2 TRP 17 1HB TRP 17 7.095 -5.129 -5.394 100 HB3 TRP 17 2HB TRP 17 5.681 -4.202 -4.900 101 HD1 TRP 17 HD TRP 17 6.884 -7.886 -4.960 102 HE1 TRP 17 1HE TRP 17 5.790 -9.109 -2.977 103 HE3 TRP 17 3HE TRP 17 3.911 -4.110 -3.216 104 HZ2 TRP 17 2HZ TRP 17 3.915 -8.549 -0.944 105 HZ3 TRP 17 3HZ TRP 17 2.497 -4.536 -1.248 106 HH2 TRP 17 HH TRP 17 2.500 -6.710 -0.137 107 H CYS 18 H CYS 18 4.200 -3.158 -6.332 108 HA CYS 18 HA CYS 18 1.648 -4.090 -5.576 109 HB2 CYS 18 1HB CYS 18 2.708 -1.772 -5.197 110 HB3 CYS 18 2HB CYS 18 2.150 -1.396 -6.823 111 HG CYS 18 HG CYS 18 -0.557 -2.329 -5.884 112 H LYS 19 H LYS 19 2.555 -2.383 -8.577 113 HA LYS 19 HA LYS 19 0.235 -2.763 -9.994 114 HB2 LYS 19 1HB LYS 19 3.081 -2.735 -11.010 115 HB3 LYS 19 2HB LYS 19 1.667 -2.630 -12.050 116 HG2 LYS 19 1HG LYS 19 1.036 -0.535 -11.117 117 HG3 LYS 19 2HG LYS 19 2.247 -0.675 -9.840 118 HD2 LYS 19 1HD LYS 19 3.325 0.731 -11.303 119 HD3 LYS 19 2HD LYS 19 3.907 -0.837 -11.868 120 HE2 LYS 19 1HE LYS 19 1.443 0.410 -13.033 121 HE3 LYS 19 2HE LYS 19 3.046 0.871 -13.602 122 HZ1 LYS 19 1HZ LYS 19 2.675 -0.838 -15.005 123 HZ2 LYS 19 2HZ LYS 19 1.591 -1.622 -13.971 124 HZ3 LYS 19 3HZ LYS 19 3.257 -1.763 -13.713 125 H GLU 20 H GLU 20 2.572 -5.117 -9.104 126 HA GLU 20 HA GLU 20 1.912 -7.032 -11.137 127 HB2 GLU 20 1HB GLU 20 4.078 -6.825 -9.694 128 HB3 GLU 20 2HB GLU 20 3.171 -7.762 -8.516 129 HG2 GLU 20 1HG GLU 20 3.194 -9.652 -9.785 130 HG3 GLU 20 2HG GLU 20 3.273 -8.764 -11.306 131 H VAL 21 H VAL 21 1.427 -7.081 -7.600 132 HA VAL 21 HA VAL 21 -0.421 -9.210 -7.641 133 HB VAL 21 HB VAL 21 -0.781 -8.816 -5.350 134 HG11 VAL 21 1HG1 VAL 21 1.819 -7.630 -5.080 135 HG12 VAL 21 2HG1 VAL 21 1.315 -9.297 -4.795 136 HG13 VAL 21 3HG1 VAL 21 1.816 -8.789 -6.408 137 HG21 VAL 21 1HG2 VAL 21 0.035 -6.572 -4.348 138 HG22 VAL 21 2HG2 VAL 21 -0.110 -5.971 -6.000 139 HG23 VAL 21 3HG2 VAL 21 -1.523 -6.624 -5.173 140 H THR 22 H THR 22 -0.759 -5.873 -8.338 141 HA THR 22 HA THR 22 -3.684 -6.029 -8.085 142 HB THR 22 HB THR 22 -3.693 -3.582 -8.270 143 HG1 THR 22 1HG THR 22 -0.950 -4.015 -8.729 144 HG21 THR 22 1HG2 THR 22 -1.738 -4.575 -6.191 145 HG22 THR 22 2HG2 THR 22 -3.495 -4.613 -6.049 146 HG23 THR 22 3HG2 THR 22 -2.649 -3.068 -6.122 147 H LYS 23 H LYS 23 -2.045 -7.209 -10.260 148 HA LYS 23 HA LYS 23 -2.332 -5.629 -12.600 149 HB2 LYS 23 1HB LYS 23 -1.658 -8.464 -11.999 150 HB3 LYS 23 2HB LYS 23 -2.195 -8.089 -13.632 151 HG2 LYS 23 1HG LYS 23 -0.416 -6.287 -13.654 152 HG3 LYS 23 2HG LYS 23 0.206 -7.026 -12.177 153 HD2 LYS 23 1HD LYS 23 1.456 -7.986 -13.926 154 HD3 LYS 23 2HD LYS 23 0.265 -9.211 -13.480 155 HE2 LYS 23 1HE LYS 23 0.364 -9.093 -15.870 156 HE3 LYS 23 2HE LYS 23 -1.170 -8.400 -15.345 157 HZ1 LYS 23 1HZ LYS 23 0.046 -7.124 -17.101 158 HZ2 LYS 23 2HZ LYS 23 1.222 -6.755 -15.943 159 HZ3 LYS 23 3HZ LYS 23 -0.370 -6.226 -15.729 160 H ASN 24 H ASN 24 -4.255 -8.278 -11.222 161 HA ASN 24 HA ASN 24 -6.318 -7.851 -13.244 162 HB2 ASN 24 1HB ASN 24 -7.386 -9.850 -12.015 163 HB3 ASN 24 2HB ASN 24 -5.922 -10.146 -12.947 164 HD21 ASN 24 1HD2 ASN 24 -3.886 -10.158 -11.750 165 HD22 ASN 24 2HD2 ASN 24 -3.882 -10.757 -10.129 166 H TYR 25 H TYR 25 -6.064 -5.686 -11.594 167 HA TYR 25 HA TYR 25 -8.420 -5.898 -9.835 168 HB2 TYR 25 1HB TYR 25 -5.854 -4.381 -9.542 169 HB3 TYR 25 2HB TYR 25 -7.319 -3.754 -8.794 170 HD1 TYR 25 2HD TYR 25 -5.518 -7.023 -9.083 171 HD2 TYR 25 1HD TYR 25 -7.664 -4.324 -6.591 172 HE1 TYR 25 2HE TYR 25 -5.176 -8.528 -7.168 173 HE2 TYR 25 1HE TYR 25 -7.326 -5.821 -4.669 174 HH TYR 25 HH TYR 25 -5.211 -8.578 -4.837 175 H ARG 26 H ARG 26 -9.313 -3.531 -9.446 176 HA ARG 26 HA ARG 26 -9.607 -2.274 -12.096 177 HB2 ARG 26 1HB ARG 26 -11.661 -2.739 -9.937 178 HB3 ARG 26 2HB ARG 26 -11.913 -1.609 -11.260 179 HG2 ARG 26 1HG ARG 26 -11.834 -3.355 -12.873 180 HG3 ARG 26 2HG ARG 26 -11.291 -4.522 -11.666 181 HD2 ARG 26 1HD ARG 26 -13.894 -3.085 -11.325 182 HD3 ARG 26 2HD ARG 26 -13.785 -4.489 -12.385 183 HE ARG 26 HE ARG 26 -12.717 -4.904 -9.739 184 HH11 ARG 26 1HH1 ARG 26 -15.539 -5.052 -11.773 185 HH12 ARG 26 2HH1 ARG 26 -16.355 -6.212 -10.780 186 HH21 ARG 26 1HH2 ARG 26 -13.782 -6.433 -8.423 187 HH22 ARG 26 2HH2 ARG 26 -15.355 -6.997 -8.873 188 H GLY 27 H GLY 27 -8.815 -0.284 -12.177 189 HA2 GLY 27 1HA GLY 27 -8.504 1.936 -11.579 190 HA3 GLY 27 2HA GLY 27 -9.351 1.617 -10.073 191 H VAL 28 H VAL 28 -6.530 -0.117 -11.287 192 HA VAL 28 HA VAL 28 -4.913 1.104 -9.152 193 HB VAL 28 HB VAL 28 -4.729 -1.820 -9.854 194 HG11 VAL 28 1HG1 VAL 28 -3.817 -1.623 -7.352 195 HG12 VAL 28 2HG1 VAL 28 -2.784 -1.394 -8.765 196 HG13 VAL 28 3HG1 VAL 28 -3.440 0.005 -7.913 197 HG21 VAL 28 1HG2 VAL 28 -6.983 -1.263 -8.959 198 HG22 VAL 28 2HG2 VAL 28 -6.056 -2.346 -7.922 199 HG23 VAL 28 3HG2 VAL 28 -6.205 -0.640 -7.504 200 H LYS 29 H LYS 29 -3.275 2.129 -10.076 201 HA LYS 29 HA LYS 29 -1.846 0.806 -12.278 202 HB2 LYS 29 1HB LYS 29 -2.993 3.559 -12.196 203 HB3 LYS 29 2HB LYS 29 -1.461 3.322 -13.027 204 HG2 LYS 29 1HG LYS 29 -2.403 1.943 -14.639 205 HG3 LYS 29 2HG LYS 29 -3.815 1.582 -13.644 206 HD2 LYS 29 1HD LYS 29 -4.424 3.083 -15.451 207 HD3 LYS 29 2HD LYS 29 -4.567 3.912 -13.899 208 HE2 LYS 29 1HE LYS 29 -3.524 5.378 -15.510 209 HE3 LYS 29 2HE LYS 29 -2.351 4.929 -14.273 210 HZ1 LYS 29 1HZ LYS 29 -1.699 4.852 -16.766 211 HZ2 LYS 29 2HZ LYS 29 -2.501 3.363 -16.756 212 HZ3 LYS 29 3HZ LYS 29 -1.182 3.619 -15.729 213 H ILE 30 H ILE 30 -1.791 3.044 -9.578 214 HA ILE 30 HA ILE 30 -0.120 3.753 -8.205 215 HB ILE 30 HB ILE 30 1.412 1.419 -9.357 216 HG12 ILE 30 1HG1 ILE 30 0.660 0.564 -6.940 217 HG13 ILE 30 2HG1 ILE 30 -0.677 1.666 -7.250 218 HG21 ILE 30 1HG2 ILE 30 2.153 3.488 -7.515 219 HG22 ILE 30 2HG2 ILE 30 2.159 1.924 -6.702 220 HG23 ILE 30 3HG2 ILE 30 3.125 2.164 -8.158 221 HD11 ILE 30 1HD1 ILE 30 -0.073 -0.099 -9.490 222 HD12 ILE 30 2HD1 ILE 30 -0.565 -0.942 -8.021 223 HD13 ILE 30 3HD1 ILE 30 -1.614 0.287 -8.727 224 H THR 31 H THR 31 -0.304 5.250 -10.411 225 HA THR 31 HA THR 31 2.082 5.440 -11.941 226 HB THR 31 HB THR 31 0.044 6.351 -12.848 227 HG1 THR 31 1HG THR 31 1.911 8.405 -12.191 228 HG21 THR 31 1HG2 THR 31 -1.433 7.422 -11.571 229 HG22 THR 31 2HG2 THR 31 -0.291 8.749 -11.359 230 HG23 THR 31 3HG2 THR 31 -0.293 7.398 -10.226 231 H ASN 32 H ASN 32 1.096 6.681 -8.856 232 HA ASN 32 HA ASN 32 3.746 7.861 -8.511 233 HB2 ASN 32 1HB ASN 32 1.361 9.396 -7.528 234 HB3 ASN 32 2HB ASN 32 3.001 9.965 -7.826 235 HD21 ASN 32 1HD2 ASN 32 -0.017 10.245 -8.889 236 HD22 ASN 32 2HD2 ASN 32 0.259 10.557 -10.566 237 H PHE 33 H PHE 33 4.121 8.456 -6.170 238 HA PHE 33 HA PHE 33 2.819 6.451 -4.451 239 HB2 PHE 33 1HB PHE 33 5.629 7.507 -4.538 240 HB3 PHE 33 2HB PHE 33 4.989 6.793 -3.062 241 HD1 PHE 33 2HD PHE 33 3.951 4.430 -3.292 242 HD2 PHE 33 1HD PHE 33 6.602 6.159 -6.137 243 HE1 PHE 33 2HE PHE 33 4.498 2.186 -4.140 244 HE2 PHE 33 1HE PHE 33 7.153 3.918 -6.991 245 HZ PHE 33 HZ PHE 33 6.102 1.928 -5.991 246 H THR 34 H THR 34 1.713 9.038 -4.901 247 HA THR 34 HA THR 34 1.920 10.134 -2.177 248 HB THR 34 HB THR 34 1.470 12.407 -3.171 249 HG1 THR 34 1HG THR 34 1.606 12.675 -5.327 250 HG21 THR 34 1HG2 THR 34 3.650 12.705 -2.831 251 HG22 THR 34 2HG2 THR 34 4.010 11.967 -4.392 252 HG23 THR 34 3HG2 THR 34 3.898 10.963 -2.946 253 H THR 35 H THR 35 -0.056 10.806 -5.066 254 HA THR 35 HA THR 35 -2.445 10.936 -3.446 255 HB THR 35 HB THR 35 -3.604 11.520 -5.525 256 HG1 THR 35 1HG THR 35 -1.164 10.676 -6.650 257 HG21 THR 35 1HG2 THR 35 -0.973 12.974 -5.216 258 HG22 THR 35 2HG2 THR 35 -2.443 13.290 -4.293 259 HG23 THR 35 3HG2 THR 35 -2.408 13.597 -6.030 260 H SER 36 H SER 36 -1.155 8.847 -6.003 261 HA SER 36 HA SER 36 -3.252 7.187 -6.514 262 HB2 SER 36 1HB SER 36 -0.893 7.081 -7.474 263 HB3 SER 36 2HB SER 36 -0.465 6.117 -6.061 264 HG SER 36 HG SER 36 -1.707 5.348 -8.311 265 H TRP 37 H TRP 37 -1.368 7.366 -3.596 266 HA TRP 37 HA TRP 37 -2.772 5.025 -2.507 267 HB2 TRP 37 1HB TRP 37 -0.396 6.489 -1.341 268 HB3 TRP 37 2HB TRP 37 -1.070 4.960 -0.784 269 HD1 TRP 37 HD TRP 37 0.866 6.431 -3.780 270 HE1 TRP 37 1HE TRP 37 2.157 4.518 -4.919 271 HE3 TRP 37 3HE TRP 37 -0.951 2.498 -1.067 272 HZ2 TRP 37 2HZ TRP 37 2.375 1.712 -4.698 273 HZ3 TRP 37 3HZ TRP 37 -0.151 0.231 -1.594 274 HH2 TRP 37 HH TRP 37 1.478 -0.151 -3.373 275 H ARG 38 H ARG 38 -2.404 8.463 -2.208 276 HA ARG 38 HA ARG 38 -3.144 9.186 0.249 277 HB2 ARG 38 1HB ARG 38 -2.972 10.894 -1.373 278 HB3 ARG 38 2HB ARG 38 -4.224 10.178 -2.379 279 HG2 ARG 38 1HG ARG 38 -5.938 10.915 -0.982 280 HG3 ARG 38 2HG ARG 38 -4.837 11.203 0.367 281 HD2 ARG 38 1HD ARG 38 -5.123 13.350 -0.338 282 HD3 ARG 38 2HD ARG 38 -3.757 12.896 -1.356 283 HE ARG 38 HE ARG 38 -5.140 12.946 -3.203 284 HH11 ARG 38 1HH1 ARG 38 -7.016 13.250 -0.287 285 HH12 ARG 38 2HH1 ARG 38 -8.470 13.703 -1.114 286 HH21 ARG 38 1HH2 ARG 38 -7.048 13.541 -4.304 287 HH22 ARG 38 2HH2 ARG 38 -8.487 13.867 -3.399 288 H ASN 39 H ASN 39 -5.480 8.039 -2.183 289 HA ASN 39 HA ASN 39 -7.733 8.127 -0.499 290 HB2 ASN 39 1HB ASN 39 -8.526 6.278 -2.221 291 HB3 ASN 39 2HB ASN 39 -8.352 7.961 -2.710 292 HD21 ASN 39 1HD2 ASN 39 -8.191 7.004 -4.854 293 HD22 ASN 39 2HD2 ASN 39 -6.651 6.448 -5.406 294 H GLY 40 H GLY 40 -5.694 5.361 -1.465 295 HA2 GLY 40 1HA GLY 40 -4.962 3.808 0.270 296 HA3 GLY 40 2HA GLY 40 -6.528 4.030 1.036 297 H LEU 41 H LEU 41 -5.811 3.465 -2.386 298 HA LEU 41 HA LEU 41 -7.621 1.168 -2.314 299 HB2 LEU 41 1HB LEU 41 -6.461 2.769 -4.585 300 HB3 LEU 41 2HB LEU 41 -7.443 1.324 -4.814 301 HG LEU 41 HG LEU 41 -8.373 3.866 -3.480 302 HD11 LEU 41 1HD1 LEU 41 -9.789 4.050 -5.539 303 HD12 LEU 41 2HD1 LEU 41 -8.794 2.784 -6.256 304 HD13 LEU 41 3HD1 LEU 41 -8.064 4.321 -5.792 305 HD21 LEU 41 1HD2 LEU 41 -10.625 2.739 -3.878 306 HD22 LEU 41 2HD2 LEU 41 -9.629 2.109 -2.566 307 HD23 LEU 41 3HD2 LEU 41 -9.708 1.250 -4.104 308 H SER 42 H SER 42 -4.415 2.019 -3.616 309 HA SER 42 HA SER 42 -3.686 -0.555 -4.432 310 HB2 SER 42 1HB SER 42 -1.860 1.657 -3.460 311 HB3 SER 42 2HB SER 42 -1.388 0.279 -4.455 312 HG SER 42 HG SER 42 -3.481 1.846 -5.396 313 H PHE 43 H PHE 43 -3.533 1.009 -1.305 314 HA PHE 43 HA PHE 43 -1.814 -0.821 -0.025 315 HB2 PHE 43 1HB PHE 43 -3.826 1.189 0.904 316 HB3 PHE 43 2HB PHE 43 -3.172 0.038 2.065 317 HD1 PHE 43 2HD PHE 43 -0.435 -0.225 1.573 318 HD2 PHE 43 1HD PHE 43 -2.848 3.245 1.074 319 HE1 PHE 43 2HE PHE 43 1.554 1.195 1.859 320 HE2 PHE 43 1HE PHE 43 -0.863 4.671 1.358 321 HZ PHE 43 HZ PHE 43 1.341 3.646 1.752 322 H CYS 44 H CYS 44 -5.345 -0.692 -0.308 323 HA CYS 44 HA CYS 44 -5.723 -3.096 1.220 324 HB2 CYS 44 1HB CYS 44 -7.565 -1.364 -0.421 325 HB3 CYS 44 2HB CYS 44 -8.109 -2.866 0.316 326 HG CYS 44 HG CYS 44 -7.518 0.116 1.724 327 H ALA 45 H ALA 45 -5.530 -2.236 -2.176 328 HA ALA 45 HA ALA 45 -6.547 -4.540 -3.346 329 HB1 ALA 45 1HB ALA 45 -5.503 -2.262 -4.311 330 HB2 ALA 45 2HB ALA 45 -4.167 -3.366 -4.637 331 HB3 ALA 45 3HB ALA 45 -5.769 -3.702 -5.294 332 H ILE 46 H ILE 46 -3.243 -3.861 -2.239 333 HA ILE 46 HA ILE 46 -2.089 -6.276 -3.095 334 HB ILE 46 HB ILE 46 -1.290 -4.520 -0.771 335 HG12 ILE 46 1HG1 ILE 46 0.008 -4.613 -3.483 336 HG13 ILE 46 2HG1 ILE 46 -1.383 -3.577 -3.181 337 HG21 ILE 46 1HG2 ILE 46 -0.429 -6.946 -0.872 338 HG22 ILE 46 2HG2 ILE 46 0.530 -6.389 -2.242 339 HG23 ILE 46 3HG2 ILE 46 0.743 -5.647 -0.657 340 HD11 ILE 46 1HD1 ILE 46 0.161 -2.061 -2.632 341 HD12 ILE 46 2HD1 ILE 46 0.226 -2.928 -1.097 342 HD13 ILE 46 3HD1 ILE 46 1.407 -3.280 -2.359 343 H LEU 47 H LEU 47 -2.862 -5.378 0.272 344 HA LEU 47 HA LEU 47 -2.566 -7.827 1.451 345 HB2 LEU 47 1HB LEU 47 -3.077 -5.656 2.581 346 HB3 LEU 47 2HB LEU 47 -4.765 -5.882 2.126 347 HG LEU 47 HG LEU 47 -4.680 -8.047 3.454 348 HD11 LEU 47 1HD1 LEU 47 -1.952 -7.258 3.679 349 HD12 LEU 47 2HD1 LEU 47 -2.740 -8.714 4.286 350 HD13 LEU 47 3HD1 LEU 47 -2.682 -7.262 5.285 351 HD21 LEU 47 1HD2 LEU 47 -4.179 -5.650 5.180 352 HD22 LEU 47 2HD2 LEU 47 -5.334 -6.964 5.404 353 HD23 LEU 47 3HD2 LEU 47 -5.613 -5.748 4.157 354 H HIS 48 H HIS 48 -5.227 -6.701 -0.516 355 HA HIS 48 HA HIS 48 -7.047 -8.783 0.142 356 HB2 HIS 48 1HB HIS 48 -7.755 -6.642 -0.870 357 HB3 HIS 48 2HB HIS 48 -6.920 -7.082 -2.357 358 HD1 HIS 48 1HD HIS 48 -7.904 -9.278 -3.591 359 HD2 HIS 48 2HD HIS 48 -10.327 -7.521 -0.710 360 HE1 HIS 48 1HE HIS 48 -10.213 -10.178 -4.015 361 HE2 HIS 48 2HE HIS 48 -11.677 -9.036 -2.314 362 H HIS 49 H HIS 49 -4.641 -8.353 -2.412 363 HA HIS 49 HA HIS 49 -5.198 -10.455 -4.076 364 HB2 HIS 49 1HB HIS 49 -3.290 -8.723 -4.192 365 HB3 HIS 49 2HB HIS 49 -2.369 -9.873 -3.227 366 HD1 HIS 49 1HD HIS 49 -4.644 -10.556 -6.195 367 HD2 HIS 49 2HD HIS 49 -0.676 -10.972 -5.037 368 HE1 HIS 49 1HE HIS 49 -3.525 -11.806 -8.068 369 HE2 HIS 49 2HE HIS 49 -1.145 -12.121 -7.306 370 H PHE 50 H PHE 50 -3.185 -10.590 -1.140 371 HA PHE 50 HA PHE 50 -2.885 -13.435 -1.288 372 HB2 PHE 50 1HB PHE 50 -2.365 -11.636 1.085 373 HB3 PHE 50 2HB PHE 50 -1.705 -13.245 0.808 374 HD1 PHE 50 2HD PHE 50 -1.619 -9.738 -0.319 375 HD2 PHE 50 1HD PHE 50 0.213 -13.574 -0.538 376 HE1 PHE 50 2HE PHE 50 0.330 -8.740 -1.440 377 HE2 PHE 50 1HE PHE 50 2.166 -12.581 -1.659 378 HZ PHE 50 HZ PHE 50 2.225 -10.162 -2.112 379 H ARG 51 H ARG 51 -4.769 -11.222 0.753 380 HA ARG 51 HA ARG 51 -6.647 -13.405 1.279 381 HB2 ARG 51 1HB ARG 51 -4.877 -12.964 3.172 382 HB3 ARG 51 2HB ARG 51 -5.910 -11.589 3.539 383 HG2 ARG 51 1HG ARG 51 -6.543 -13.422 4.934 384 HG3 ARG 51 2HG ARG 51 -7.825 -13.146 3.754 385 HD2 ARG 51 1HD ARG 51 -7.102 -15.007 2.436 386 HD3 ARG 51 2HD ARG 51 -5.653 -15.206 3.421 387 HE ARG 51 HE ARG 51 -7.626 -15.523 5.221 388 HH11 ARG 51 1HH1 ARG 51 -7.056 -16.926 2.086 389 HH12 ARG 51 2HH1 ARG 51 -7.846 -18.420 2.467 390 HH21 ARG 51 1HH2 ARG 51 -8.670 -17.485 5.734 391 HH22 ARG 51 2HH2 ARG 51 -8.765 -18.737 4.542 392 HA PRO 52 HA PRO 52 -9.136 -9.865 0.006 393 HB2 PRO 52 1HB PRO 52 -11.350 -11.340 -0.533 394 HB3 PRO 52 2HB PRO 52 -9.991 -11.203 -1.654 395 HG2 PRO 52 1HG PRO 52 -10.644 -13.400 0.271 396 HG3 PRO 52 2HG PRO 52 -10.081 -13.513 -1.406 397 HD2 PRO 52 1HD PRO 52 -8.425 -13.839 0.711 398 HD3 PRO 52 2HD PRO 52 -7.882 -13.137 -0.826 399 H ASP 53 H ASP 53 -10.327 -12.504 2.080 400 HA ASP 53 HA ASP 53 -12.456 -11.199 3.273 401 HB2 ASP 53 1HB ASP 53 -12.408 -13.419 3.856 402 HB3 ASP 53 2HB ASP 53 -10.661 -13.434 4.078 403 H LEU 54 H LEU 54 -9.026 -11.074 4.081 404 HA LEU 54 HA LEU 54 -9.060 -9.818 6.518 405 HB2 LEU 54 1HB LEU 54 -7.220 -9.784 4.196 406 HB3 LEU 54 2HB LEU 54 -6.985 -8.543 5.425 407 HG LEU 54 HG LEU 54 -6.853 -11.531 5.820 408 HD11 LEU 54 1HD1 LEU 54 -4.514 -10.439 6.699 409 HD12 LEU 54 2HD1 LEU 54 -4.889 -9.426 5.306 410 HD13 LEU 54 3HD1 LEU 54 -4.760 -11.174 5.115 411 HD21 LEU 54 1HD2 LEU 54 -7.304 -11.192 7.964 412 HD22 LEU 54 2HD2 LEU 54 -7.480 -9.459 7.686 413 HD23 LEU 54 3HD2 LEU 54 -5.897 -10.135 8.072 414 H ILE 55 H ILE 55 -9.593 -8.398 3.340 415 HA ILE 55 HA ILE 55 -10.391 -5.895 4.676 416 HB ILE 55 HB ILE 55 -9.514 -5.801 1.837 417 HG12 ILE 55 1HG1 ILE 55 -7.162 -5.247 2.996 418 HG13 ILE 55 2HG1 ILE 55 -7.751 -6.444 4.144 419 HG21 ILE 55 1HG2 ILE 55 -10.175 -3.978 3.893 420 HG22 ILE 55 2HG2 ILE 55 -8.471 -3.744 3.509 421 HG23 ILE 55 3HG2 ILE 55 -9.685 -3.626 2.236 422 HD11 ILE 55 1HD1 ILE 55 -7.247 -8.102 2.770 423 HD12 ILE 55 2HD1 ILE 55 -8.117 -7.346 1.435 424 HD13 ILE 55 3HD1 ILE 55 -6.435 -6.916 1.748 425 H ASP 56 H ASP 56 -11.736 -4.535 2.962 426 HA ASP 56 HA ASP 56 -13.801 -6.350 1.897 427 HB2 ASP 56 1HB ASP 56 -14.040 -3.644 3.206 428 HB3 ASP 56 2HB ASP 56 -15.340 -4.333 2.236 429 H TYR 57 H TYR 57 -11.382 -5.205 0.580 430 HA TYR 57 HA TYR 57 -11.847 -3.101 -1.109 431 HB2 TYR 57 1HB TYR 57 -9.735 -4.478 -0.913 432 HB3 TYR 57 2HB TYR 57 -10.488 -5.652 -1.987 433 HD1 TYR 57 2HD TYR 57 -11.392 -4.661 -4.254 434 HD2 TYR 57 1HD TYR 57 -8.427 -2.805 -1.831 435 HE1 TYR 57 2HE TYR 57 -10.602 -3.388 -6.205 436 HE2 TYR 57 1HE TYR 57 -7.631 -1.526 -3.775 437 HH TYR 57 HH TYR 57 -7.669 -1.595 -6.166 438 H LYS 58 H LYS 58 -13.275 -6.256 -1.190 439 HA LYS 58 HA LYS 58 -14.122 -6.402 -3.843 440 HB2 LYS 58 1HB LYS 58 -15.797 -7.979 -3.069 441 HB3 LYS 58 2HB LYS 58 -14.280 -8.263 -2.225 442 HG2 LYS 58 1HG LYS 58 -15.121 -7.123 -0.262 443 HG3 LYS 58 2HG LYS 58 -16.621 -6.732 -1.107 444 HD2 LYS 58 1HD LYS 58 -15.744 -9.580 -0.869 445 HD3 LYS 58 2HD LYS 58 -16.526 -8.785 0.499 446 HE2 LYS 58 1HE LYS 58 -18.365 -9.638 -0.550 447 HE3 LYS 58 2HE LYS 58 -18.262 -8.077 -1.362 448 HZ1 LYS 58 1HZ LYS 58 -18.214 -9.221 -3.247 449 HZ2 LYS 58 2HZ LYS 58 -17.999 -10.697 -2.451 450 HZ3 LYS 58 3HZ LYS 58 -16.658 -9.739 -2.833 451 H SER 59 H SER 59 -15.470 -4.675 -1.099 452 HA SER 59 HA SER 59 -17.451 -3.467 -2.917 453 HB2 SER 59 1HB SER 59 -18.938 -3.197 -0.946 454 HB3 SER 59 2HB SER 59 -18.602 -4.889 -1.309 455 HG SER 59 HG SER 59 -16.744 -4.342 0.320 456 H LEU 60 H LEU 60 -14.765 -2.556 -2.378 457 HA LEU 60 HA LEU 60 -15.130 -0.218 -0.669 458 HB2 LEU 60 1HB LEU 60 -12.781 -1.560 -1.933 459 HB3 LEU 60 2HB LEU 60 -12.653 0.120 -1.418 460 HG LEU 60 HG LEU 60 -13.062 -2.330 0.270 461 HD11 LEU 60 1HD1 LEU 60 -11.158 -0.158 0.915 462 HD12 LEU 60 2HD1 LEU 60 -10.788 -1.167 -0.483 463 HD13 LEU 60 3HD1 LEU 60 -10.999 -1.905 1.105 464 HD21 LEU 60 1HD2 LEU 60 -13.681 0.532 0.913 465 HD22 LEU 60 2HD2 LEU 60 -13.184 -0.602 2.169 466 HD23 LEU 60 3HD2 LEU 60 -14.644 -0.911 1.228 467 H ASN 61 H ASN 61 -13.661 1.715 -1.734 468 HA ASN 61 HA ASN 61 -13.942 2.156 -4.504 469 HB2 ASN 61 1HB ASN 61 -16.179 3.069 -2.745 470 HB3 ASN 61 2HB ASN 61 -15.689 4.098 -4.087 471 HD21 ASN 61 1HD2 ASN 61 -15.065 2.319 -6.023 472 HD22 ASN 61 2HD2 ASN 61 -16.462 1.407 -6.473 473 HA PRO 62 HA PRO 62 -11.193 5.454 -3.598 474 HB2 PRO 62 1HB PRO 62 -11.776 7.250 -5.547 475 HB3 PRO 62 2HB PRO 62 -10.931 5.731 -5.863 476 HG2 PRO 62 1HG PRO 62 -13.822 6.405 -6.248 477 HG3 PRO 62 2HG PRO 62 -12.732 5.502 -7.316 478 HD2 PRO 62 1HD PRO 62 -14.518 4.281 -5.688 479 HD3 PRO 62 2HD PRO 62 -12.952 3.555 -6.102 480 H GLN 63 H GLN 63 -14.403 5.701 -2.969 481 HA GLN 63 HA GLN 63 -14.590 8.531 -2.485 482 HB2 GLN 63 1HB GLN 63 -16.752 7.886 -1.355 483 HB3 GLN 63 2HB GLN 63 -16.623 7.433 -3.049 484 HG2 GLN 63 1HG GLN 63 -17.632 5.673 -1.678 485 HG3 GLN 63 2HG GLN 63 -16.135 5.152 -2.448 486 HE21 GLN 63 1HE2 GLN 63 -15.558 3.591 -1.031 487 HE22 GLN 63 2HE2 GLN 63 -15.161 3.883 0.625 488 H ASP 64 H ASP 64 -13.470 5.785 -0.762 489 HA ASP 64 HA ASP 64 -13.563 7.226 1.793 490 HB2 ASP 64 1HB ASP 64 -13.367 4.350 1.032 491 HB3 ASP 64 2HB ASP 64 -12.620 4.857 2.544 492 H ILE 65 H ILE 65 -11.837 8.395 2.278 493 HA ILE 65 HA ILE 65 -9.226 7.614 1.188 494 HB ILE 65 HB ILE 65 -10.150 10.230 2.378 495 HG12 ILE 65 1HG1 ILE 65 -9.314 9.521 -0.443 496 HG13 ILE 65 2HG1 ILE 65 -10.980 9.707 0.095 497 HG21 ILE 65 1HG2 ILE 65 -7.447 9.392 1.348 498 HG22 ILE 65 2HG2 ILE 65 -7.922 11.069 1.610 499 HG23 ILE 65 3HG2 ILE 65 -7.856 9.949 2.971 500 HD11 ILE 65 1HD1 ILE 65 -10.312 11.703 -1.020 501 HD12 ILE 65 2HD1 ILE 65 -10.448 12.057 0.703 502 HD13 ILE 65 3HD1 ILE 65 -8.859 11.833 -0.029 503 H LYS 66 H LYS 66 -10.805 8.568 4.215 504 HA LYS 66 HA LYS 66 -8.450 8.048 5.789 505 HB2 LYS 66 1HB LYS 66 -10.352 9.732 6.280 506 HB3 LYS 66 2HB LYS 66 -11.232 8.338 6.894 507 HG2 LYS 66 1HG LYS 66 -9.850 8.086 8.701 508 HG3 LYS 66 2HG LYS 66 -8.474 8.841 7.893 509 HD2 LYS 66 1HD LYS 66 -9.097 10.460 9.426 510 HD3 LYS 66 2HD LYS 66 -9.938 10.985 7.966 511 HE2 LYS 66 1HE LYS 66 -11.978 9.867 8.764 512 HE3 LYS 66 2HE LYS 66 -11.130 9.392 10.235 513 HZ1 LYS 66 1HZ LYS 66 -12.370 11.327 10.730 514 HZ2 LYS 66 2HZ LYS 66 -11.815 12.139 9.354 515 HZ3 LYS 66 3HZ LYS 66 -10.753 11.816 10.631 516 H GLU 67 H GLU 67 -11.574 6.456 5.254 517 HA GLU 67 HA GLU 67 -11.158 4.324 7.052 518 HB2 GLU 67 1HB GLU 67 -13.369 4.949 6.133 519 HB3 GLU 67 2HB GLU 67 -12.860 4.367 4.554 520 HG2 GLU 67 1HG GLU 67 -12.944 2.158 5.187 521 HG3 GLU 67 2HG GLU 67 -12.750 2.532 6.899 522 H ASN 68 H ASN 68 -11.111 4.179 3.486 523 HA ASN 68 HA ASN 68 -10.163 1.743 2.982 524 HB2 ASN 68 1HB ASN 68 -9.477 4.376 1.741 525 HB3 ASN 68 2HB ASN 68 -8.613 2.937 1.206 526 HD21 ASN 68 1HD2 ASN 68 -9.697 3.614 -0.830 527 HD22 ASN 68 2HD2 ASN 68 -11.275 2.983 -1.142 528 H ASN 69 H ASN 69 -7.933 4.448 3.658 529 HA ASN 69 HA ASN 69 -5.594 2.953 3.788 530 HB2 ASN 69 1HB ASN 69 -6.449 5.587 4.916 531 HB3 ASN 69 2HB ASN 69 -4.920 4.894 5.450 532 HD21 ASN 69 1HD2 ASN 69 -6.744 5.650 2.513 533 HD22 ASN 69 2HD2 ASN 69 -5.370 6.094 1.566 534 H LYS 70 H LYS 70 -7.781 3.902 6.426 535 HA LYS 70 HA LYS 70 -6.407 2.772 8.551 536 HB2 LYS 70 1HB LYS 70 -8.304 4.194 8.948 537 HB3 LYS 70 2HB LYS 70 -9.377 3.086 8.102 538 HG2 LYS 70 1HG LYS 70 -9.508 1.645 9.859 539 HG3 LYS 70 2HG LYS 70 -7.899 2.054 10.459 540 HD2 LYS 70 1HD LYS 70 -10.113 4.070 10.542 541 HD3 LYS 70 2HD LYS 70 -9.983 2.831 11.792 542 HE2 LYS 70 1HE LYS 70 -7.761 3.576 12.359 543 HE3 LYS 70 2HE LYS 70 -7.766 4.724 11.021 544 HZ1 LYS 70 1HZ LYS 70 -9.350 4.820 13.517 545 HZ2 LYS 70 2HZ LYS 70 -9.762 5.745 12.163 546 HZ3 LYS 70 3HZ LYS 70 -8.266 5.972 12.918 547 H LYS 71 H LYS 71 -8.897 1.279 6.496 548 HA LYS 71 HA LYS 71 -9.186 -1.168 7.643 549 HB2 LYS 71 1HB LYS 71 -8.882 -0.664 4.677 550 HB3 LYS 71 2HB LYS 71 -9.652 -2.066 5.409 551 HG2 LYS 71 1HG LYS 71 -11.128 -0.186 6.555 552 HG3 LYS 71 2HG LYS 71 -10.643 0.710 5.114 553 HD2 LYS 71 1HD LYS 71 -12.524 -0.295 4.304 554 HD3 LYS 71 2HD LYS 71 -11.347 -1.555 3.926 555 HE2 LYS 71 1HE LYS 71 -13.102 -1.451 6.378 556 HE3 LYS 71 2HE LYS 71 -13.360 -2.480 4.970 557 HZ1 LYS 71 1HZ LYS 71 -12.296 -3.846 6.499 558 HZ2 LYS 71 2HZ LYS 71 -11.218 -2.642 6.997 559 HZ3 LYS 71 3HZ LYS 71 -11.038 -3.362 5.477 560 H ALA 72 H ALA 72 -6.583 -0.224 5.416 561 HA ALA 72 HA ALA 72 -5.264 -2.701 5.355 562 HB1 ALA 72 1HB ALA 72 -4.370 -1.449 3.719 563 HB2 ALA 72 2HB ALA 72 -4.640 0.062 4.588 564 HB3 ALA 72 3HB ALA 72 -3.238 -0.937 4.971 565 H TYR 73 H TYR 73 -4.010 0.202 6.996 566 HA TYR 73 HA TYR 73 -2.068 -0.759 8.527 567 HB2 TYR 73 1HB TYR 73 -4.232 0.998 9.698 568 HB3 TYR 73 2HB TYR 73 -2.552 0.905 10.215 569 HD1 TYR 73 1HD TYR 73 -1.142 0.962 7.621 570 HD2 TYR 73 2HD TYR 73 -4.498 3.200 8.976 571 HE1 TYR 73 1HE TYR 73 -0.559 2.771 6.060 572 HE2 TYR 73 2HE TYR 73 -3.925 5.014 7.418 573 HH TYR 73 HH TYR 73 -1.504 5.750 6.262 574 H ASP 74 H ASP 74 -5.479 -0.935 9.543 575 HA ASP 74 HA ASP 74 -5.197 -2.284 11.918 576 HB2 ASP 74 1HB ASP 74 -7.329 -1.424 10.677 577 HB3 ASP 74 2HB ASP 74 -7.397 -3.062 10.031 578 H GLY 75 H GLY 75 -5.403 -3.689 8.659 579 HA2 GLY 75 1HA GLY 75 -5.092 -6.379 9.637 580 HA3 GLY 75 2HA GLY 75 -5.100 -5.873 7.954 581 H PHE 76 H PHE 76 -3.031 -4.228 7.676 582 HA PHE 76 HA PHE 76 -0.825 -5.838 7.412 583 HB2 PHE 76 1HB PHE 76 -1.052 -2.850 7.722 584 HB3 PHE 76 2HB PHE 76 0.496 -3.637 7.431 585 HD1 PHE 76 1HD PHE 76 -0.173 -5.714 5.515 586 HD2 PHE 76 2HD PHE 76 -1.589 -1.710 5.792 587 HE1 PHE 76 1HE PHE 76 -0.627 -5.711 3.096 588 HE2 PHE 76 2HE PHE 76 -2.046 -1.700 3.375 589 HZ PHE 76 HZ PHE 76 -1.566 -3.702 2.024 590 H ALA 77 H ALA 77 -1.455 -3.545 10.062 591 HA ALA 77 HA ALA 77 0.857 -4.229 11.548 592 HB1 ALA 77 1HB ALA 77 0.071 -2.190 12.199 593 HB2 ALA 77 2HB ALA 77 -1.620 -2.676 12.072 594 HB3 ALA 77 3HB ALA 77 -0.655 -3.193 13.454 595 H SER 78 H SER 78 -2.387 -5.525 11.412 596 HA SER 78 HA SER 78 -2.673 -6.883 13.752 597 HB2 SER 78 1HB SER 78 -4.227 -6.864 11.717 598 HB3 SER 78 2HB SER 78 -3.267 -8.211 11.108 599 HG SER 78 HG SER 78 -5.199 -8.200 12.999 600 H ILE 79 H ILE 79 -0.852 -8.009 10.915 601 HA ILE 79 HA ILE 79 0.030 -10.413 12.177 602 HB ILE 79 HB ILE 79 1.671 -10.489 10.250 603 HG12 ILE 79 1HG1 ILE 79 0.072 -8.122 9.259 604 HG13 ILE 79 2HG1 ILE 79 1.690 -7.989 9.941 605 HG21 ILE 79 1HG2 ILE 79 -0.194 -10.789 8.541 606 HG22 ILE 79 2HG2 ILE 79 -0.302 -11.740 10.022 607 HG23 ILE 79 3HG2 ILE 79 -1.296 -10.296 9.826 608 HD11 ILE 79 1HD1 ILE 79 2.547 -8.390 7.948 609 HD12 ILE 79 2HD1 ILE 79 1.766 -9.972 7.926 610 HD13 ILE 79 3HD1 ILE 79 0.926 -8.565 7.276 611 H GLY 80 H GLY 80 1.416 -7.202 11.690 612 HA2 GLY 80 1HA GLY 80 2.863 -6.754 13.818 613 HA3 GLY 80 2HA GLY 80 3.849 -8.023 13.108 614 H ILE 81 H ILE 81 2.121 -5.611 11.238 615 HA ILE 81 HA ILE 81 4.705 -4.627 10.255 616 HB ILE 81 HB ILE 81 1.952 -4.318 9.051 617 HG12 ILE 81 1HG1 ILE 81 4.285 -6.050 8.206 618 HG13 ILE 81 2HG1 ILE 81 2.816 -6.630 8.983 619 HG21 ILE 81 1HG2 ILE 81 2.796 -2.787 7.685 620 HG22 ILE 81 2HG2 ILE 81 4.282 -2.807 8.634 621 HG23 ILE 81 3HG2 ILE 81 4.117 -3.864 7.232 622 HD11 ILE 81 1HD1 ILE 81 2.260 -5.069 6.607 623 HD12 ILE 81 2HD1 ILE 81 3.280 -6.470 6.279 624 HD13 ILE 81 3HD1 ILE 81 1.714 -6.683 7.059 625 H SER 82 H SER 82 5.343 -2.996 11.555 626 HA SER 82 HA SER 82 3.791 -1.219 12.979 627 HB2 SER 82 1HB SER 82 6.531 -0.860 11.758 628 HB3 SER 82 2HB SER 82 5.801 0.325 12.841 629 HG SER 82 HG SER 82 7.230 -1.478 13.711 630 H ARG 83 H ARG 83 2.461 0.380 12.452 631 HA ARG 83 HA ARG 83 2.217 1.191 9.685 632 HB2 ARG 83 1HB ARG 83 0.650 2.226 12.048 633 HB3 ARG 83 2HB ARG 83 0.199 2.292 10.350 634 HG2 ARG 83 1HG ARG 83 -0.435 0.094 10.287 635 HG3 ARG 83 2HG ARG 83 0.645 -0.367 11.604 636 HD2 ARG 83 1HD ARG 83 -1.669 1.466 12.102 637 HD3 ARG 83 2HD ARG 83 -1.912 -0.279 12.024 638 HE ARG 83 HE ARG 83 0.122 -0.034 13.779 639 HH11 ARG 83 1HH1 ARG 83 -3.008 1.471 13.549 640 HH12 ARG 83 2HH1 ARG 83 -3.183 1.671 15.261 641 HH21 ARG 83 1HH2 ARG 83 -0.095 0.223 16.035 642 HH22 ARG 83 2HH2 ARG 83 -1.525 0.962 16.674 643 H LEU 84 H LEU 84 3.429 2.767 8.884 644 HA LEU 84 HA LEU 84 4.554 4.790 10.654 645 HB2 LEU 84 1HB LEU 84 5.015 4.354 7.708 646 HB3 LEU 84 2HB LEU 84 5.943 5.410 8.771 647 HG LEU 84 HG LEU 84 5.821 2.415 9.090 648 HD11 LEU 84 1HD1 LEU 84 6.953 3.681 6.956 649 HD12 LEU 84 2HD1 LEU 84 7.468 2.125 7.606 650 HD13 LEU 84 3HD1 LEU 84 8.300 3.602 8.092 651 HD21 LEU 84 1HD2 LEU 84 7.292 2.645 10.789 652 HD22 LEU 84 2HD2 LEU 84 6.550 4.240 10.918 653 HD23 LEU 84 3HD2 LEU 84 8.081 4.046 10.064 654 H LEU 85 H LEU 85 2.587 4.607 7.702 655 HA LEU 85 HA LEU 85 2.017 7.452 7.832 656 HB2 LEU 85 1HB LEU 85 2.394 5.989 5.715 657 HB3 LEU 85 2HB LEU 85 0.702 5.549 5.937 658 HG LEU 85 HG LEU 85 0.108 7.954 5.774 659 HD11 LEU 85 1HD1 LEU 85 1.647 9.547 5.846 660 HD12 LEU 85 2HD1 LEU 85 2.493 8.846 4.467 661 HD13 LEU 85 3HD1 LEU 85 2.876 8.308 6.102 662 HD21 LEU 85 1HD2 LEU 85 -0.294 6.951 3.769 663 HD22 LEU 85 2HD2 LEU 85 1.371 6.400 3.582 664 HD23 LEU 85 3HD2 LEU 85 0.958 8.087 3.268 665 H GLU 86 H GLU 86 -0.056 8.337 8.090 666 HA GLU 86 HA GLU 86 -1.926 6.578 9.528 667 HB2 GLU 86 1HB GLU 86 -1.684 9.590 9.640 668 HB3 GLU 86 2HB GLU 86 -2.786 8.608 10.594 669 HG2 GLU 86 1HG GLU 86 0.214 8.668 10.758 670 HG3 GLU 86 2HG GLU 86 -0.941 9.221 11.969 671 HA PRO 87 HA PRO 87 -4.931 7.023 6.352 672 HB2 PRO 87 1HB PRO 87 -7.199 6.698 7.808 673 HB3 PRO 87 2HB PRO 87 -6.104 5.364 7.425 674 HG2 PRO 87 1HG PRO 87 -6.327 6.969 9.942 675 HG3 PRO 87 2HG PRO 87 -6.124 5.219 9.746 676 HD2 PRO 87 1HD PRO 87 -4.062 6.865 10.354 677 HD3 PRO 87 2HD PRO 87 -3.856 5.395 9.379 678 H SER 88 H SER 88 -5.861 8.715 9.357 679 HA SER 88 HA SER 88 -7.551 10.595 8.162 680 HB2 SER 88 1HB SER 88 -7.309 11.881 10.238 681 HB3 SER 88 2HB SER 88 -7.500 10.164 10.590 682 HG SER 88 HG SER 88 -5.509 10.077 11.324 683 H ASP 89 H ASP 89 -4.124 10.888 9.076 684 HA ASP 89 HA ASP 89 -3.566 13.457 8.418 685 HB2 ASP 89 1HB ASP 89 -1.996 11.503 9.152 686 HB3 ASP 89 2HB ASP 89 -1.717 11.314 7.423 687 H MET 90 H MET 90 -3.746 10.748 6.125 688 HA MET 90 HA MET 90 -3.018 12.009 3.798 689 HB2 MET 90 1HB MET 90 -5.191 9.947 4.196 690 HB3 MET 90 2HB MET 90 -4.520 10.395 2.633 691 HG2 MET 90 1HG MET 90 -2.718 9.448 4.814 692 HG3 MET 90 2HG MET 90 -3.649 8.290 3.866 693 HE1 MET 90 1HE MET 90 -2.877 7.526 1.335 694 HE2 MET 90 2HE MET 90 -1.115 7.471 1.376 695 HE3 MET 90 3HE MET 90 -2.046 6.985 2.794 696 H VAL 91 H VAL 91 -6.271 11.891 5.233 697 HA VAL 91 HA VAL 91 -7.509 13.472 3.240 698 HB VAL 91 HB VAL 91 -8.373 13.096 6.110 699 HG11 VAL 91 1HG1 VAL 91 -10.664 13.414 4.894 700 HG12 VAL 91 2HG1 VAL 91 -9.700 14.820 5.351 701 HG13 VAL 91 3HG1 VAL 91 -9.683 14.241 3.685 702 HG21 VAL 91 1HG2 VAL 91 -8.969 11.476 3.639 703 HG22 VAL 91 2HG2 VAL 91 -8.108 10.941 5.082 704 HG23 VAL 91 3HG2 VAL 91 -9.830 11.311 5.169 705 H LEU 92 H LEU 92 -6.247 14.267 6.467 706 HA LEU 92 HA LEU 92 -6.948 16.916 6.641 707 HB2 LEU 92 1HB LEU 92 -4.284 15.788 7.480 708 HB3 LEU 92 2HB LEU 92 -5.085 17.213 8.136 709 HG LEU 92 HG LEU 92 -6.134 14.397 8.399 710 HD11 LEU 92 1HD1 LEU 92 -4.692 14.079 10.049 711 HD12 LEU 92 2HD1 LEU 92 -5.337 15.494 10.881 712 HD13 LEU 92 3HD1 LEU 92 -3.985 15.669 9.762 713 HD21 LEU 92 1HD2 LEU 92 -7.993 15.674 8.728 714 HD22 LEU 92 2HD2 LEU 92 -7.072 17.083 9.255 715 HD23 LEU 92 3HD2 LEU 92 -7.318 15.728 10.357 716 H LEU 93 H LEU 93 -3.814 15.735 5.402 717 HA LEU 93 HA LEU 93 -3.277 18.307 4.188 718 HB2 LEU 93 1HB LEU 93 -1.144 17.338 3.550 719 HB3 LEU 93 2HB LEU 93 -1.476 17.068 5.260 720 HG LEU 93 HG LEU 93 -2.362 14.744 4.342 721 HD11 LEU 93 1HD1 LEU 93 -1.393 13.966 2.406 722 HD12 LEU 93 2HD1 LEU 93 -0.104 15.169 2.438 723 HD13 LEU 93 3HD1 LEU 93 -1.739 15.640 1.974 724 HD21 LEU 93 1HD2 LEU 93 -0.630 13.966 5.506 725 HD22 LEU 93 2HD2 LEU 93 -0.122 15.645 5.690 726 HD23 LEU 93 3HD2 LEU 93 0.538 14.662 4.382 727 H ALA 94 H ALA 94 -2.674 18.503 1.914 728 HA ALA 94 HA ALA 94 -4.620 17.235 0.223 729 HB1 ALA 94 1HB ALA 94 -2.664 18.701 -1.269 730 HB2 ALA 94 2HB ALA 94 -4.363 19.080 -0.982 731 HB3 ALA 94 3HB ALA 94 -3.133 19.619 0.162 732 H ILE 95 H ILE 95 -1.060 17.457 0.041 733 HA ILE 95 HA ILE 95 -1.072 14.825 -1.288 734 HB ILE 95 HB ILE 95 0.814 17.141 -1.733 735 HG12 ILE 95 1HG1 ILE 95 -1.297 17.406 -2.903 736 HG13 ILE 95 2HG1 ILE 95 -0.036 16.999 -4.062 737 HG21 ILE 95 1HG2 ILE 95 2.288 15.436 -2.016 738 HG22 ILE 95 2HG2 ILE 95 1.027 14.259 -2.379 739 HG23 ILE 95 3HG2 ILE 95 1.545 15.406 -3.615 740 HD11 ILE 95 1HD1 ILE 95 -2.470 15.569 -3.361 741 HD12 ILE 95 2HD1 ILE 95 -1.476 15.482 -4.816 742 HD13 ILE 95 3HD1 ILE 95 -1.035 14.544 -3.389 743 HA PRO 96 HA PRO 96 1.267 13.590 2.288 744 HB2 PRO 96 1HB PRO 96 1.759 11.055 1.449 745 HB3 PRO 96 2HB PRO 96 0.194 11.568 2.093 746 HG2 PRO 96 1HG PRO 96 1.055 11.237 -0.755 747 HG3 PRO 96 2HG PRO 96 -0.467 10.756 0.017 748 HD2 PRO 96 1HD PRO 96 -0.238 13.002 -1.479 749 HD3 PRO 96 2HD PRO 96 -1.342 12.886 -0.093 750 H ASP 97 H ASP 97 3.406 12.349 2.599 751 HA ASP 97 HA ASP 97 5.378 13.591 0.850 752 HB2 ASP 97 1HB ASP 97 5.441 12.382 3.587 753 HB3 ASP 97 2HB ASP 97 6.941 12.510 2.671 754 H LYS 98 H LYS 98 5.640 12.418 -0.970 755 HA LYS 98 HA LYS 98 5.317 9.822 -1.538 756 HB2 LYS 98 1HB LYS 98 6.236 11.665 -3.045 757 HB3 LYS 98 2HB LYS 98 7.826 11.241 -2.423 758 HG2 LYS 98 1HG LYS 98 7.458 8.921 -3.233 759 HG3 LYS 98 2HG LYS 98 5.953 9.468 -3.976 760 HD2 LYS 98 1HD LYS 98 7.389 9.668 -5.753 761 HD3 LYS 98 2HD LYS 98 7.527 11.282 -5.051 762 HE2 LYS 98 1HE LYS 98 9.377 9.163 -4.086 763 HE3 LYS 98 2HE LYS 98 9.659 9.847 -5.686 764 HZ1 LYS 98 1HZ LYS 98 9.959 11.069 -3.067 765 HZ2 LYS 98 2HZ LYS 98 9.304 12.062 -4.269 766 HZ3 LYS 98 3HZ LYS 98 10.819 11.346 -4.497 767 H LEU 99 H LEU 99 8.262 11.143 -0.047 768 HA LEU 99 HA LEU 99 9.733 8.801 0.141 769 HB2 LEU 99 1HB LEU 99 9.668 10.985 2.213 770 HB3 LEU 99 2HB LEU 99 10.990 9.867 1.884 771 HG LEU 99 HG LEU 99 10.055 11.806 -0.203 772 HD11 LEU 99 1HD1 LEU 99 12.107 12.350 1.937 773 HD12 LEU 99 2HD1 LEU 99 10.519 13.108 1.818 774 HD13 LEU 99 3HD1 LEU 99 11.727 13.391 0.565 775 HD21 LEU 99 1HD2 LEU 99 11.569 9.913 -0.781 776 HD22 LEU 99 2HD2 LEU 99 12.759 10.587 0.333 777 HD23 LEU 99 3HD2 LEU 99 12.259 11.507 -1.087 778 H THR 100 H THR 100 7.635 10.220 2.653 779 HA THR 100 HA THR 100 7.829 8.227 4.549 780 HB THR 100 HB THR 100 5.282 9.729 3.926 781 HG1 THR 100 1HG THR 100 7.105 10.645 5.843 782 HG21 THR 100 1HG2 THR 100 6.360 8.661 6.538 783 HG22 THR 100 2HG2 THR 100 5.108 7.883 5.570 784 HG23 THR 100 3HG2 THR 100 4.811 9.466 6.287 785 H VAL 101 H VAL 101 5.183 8.525 2.169 786 HA VAL 101 HA VAL 101 3.902 6.142 2.652 787 HB VAL 101 HB VAL 101 4.287 7.461 -0.039 788 HG11 VAL 101 1HG1 VAL 101 1.905 5.816 0.647 789 HG12 VAL 101 2HG1 VAL 101 2.655 6.123 -0.921 790 HG13 VAL 101 3HG1 VAL 101 3.401 4.991 0.208 791 HG21 VAL 101 1HG2 VAL 101 1.722 7.960 0.903 792 HG22 VAL 101 2HG2 VAL 101 2.761 8.185 2.311 793 HG23 VAL 101 3HG2 VAL 101 3.063 9.105 0.836 794 H MET 102 H MET 102 6.321 6.655 0.074 795 HA MET 102 HA MET 102 6.591 4.085 -0.820 796 HB2 MET 102 1HB MET 102 8.599 6.304 -0.544 797 HB3 MET 102 2HB MET 102 9.058 4.749 -1.225 798 HG2 MET 102 1HG MET 102 7.148 5.060 -2.858 799 HG3 MET 102 2HG MET 102 7.064 6.724 -2.284 800 HE1 MET 102 1HE MET 102 8.675 4.356 -4.844 801 HE2 MET 102 2HE MET 102 10.376 4.820 -4.820 802 HE3 MET 102 3HE MET 102 9.655 4.037 -3.412 803 H THR 103 H THR 103 8.248 5.559 1.948 804 HA THR 103 HA THR 103 9.919 3.451 2.636 805 HB THR 103 HB THR 103 8.533 5.386 4.503 806 HG1 THR 103 1HG THR 103 10.467 6.572 4.260 807 HG21 THR 103 1HG2 THR 103 10.513 4.907 5.972 808 HG22 THR 103 2HG2 THR 103 10.902 3.561 4.901 809 HG23 THR 103 3HG2 THR 103 9.384 3.565 5.798 810 H TYR 104 H TYR 104 6.706 4.168 4.018 811 HA TYR 104 HA TYR 104 6.439 1.942 5.623 812 HB2 TYR 104 1HB TYR 104 4.848 3.786 5.676 813 HB3 TYR 104 2HB TYR 104 4.286 3.381 4.058 814 HD1 TYR 104 2HD TYR 104 4.879 1.393 7.173 815 HD2 TYR 104 1HD TYR 104 2.152 2.520 4.108 816 HE1 TYR 104 2HE TYR 104 3.182 -0.101 8.141 817 HE2 TYR 104 1HE TYR 104 0.447 1.030 5.068 818 HH TYR 104 HH TYR 104 1.086 -1.364 7.196 819 H LEU 105 H LEU 105 5.129 2.273 2.319 820 HA LEU 105 HA LEU 105 4.106 -0.177 1.864 821 HB2 LEU 105 1HB LEU 105 5.606 1.716 0.138 822 HB3 LEU 105 2HB LEU 105 5.278 0.107 -0.501 823 HG LEU 105 HG LEU 105 3.144 1.980 0.512 824 HD11 LEU 105 1HD1 LEU 105 4.444 2.814 -1.493 825 HD12 LEU 105 2HD1 LEU 105 2.704 2.629 -1.710 826 HD13 LEU 105 3HD1 LEU 105 3.808 1.420 -2.365 827 HD21 LEU 105 1HD2 LEU 105 2.544 -0.140 -1.433 828 HD22 LEU 105 2HD2 LEU 105 1.641 0.392 -0.014 829 HD23 LEU 105 3HD2 LEU 105 3.012 -0.704 0.172 830 H TYR 106 H TYR 106 7.532 0.594 1.228 831 HA TYR 106 HA TYR 106 8.559 -1.760 0.470 832 HB2 TYR 106 1HB TYR 106 9.640 0.296 2.365 833 HB3 TYR 106 2HB TYR 106 10.565 -1.167 2.046 834 HD1 TYR 106 2HD TYR 106 10.420 -1.700 -0.703 835 HD2 TYR 106 1HD TYR 106 10.445 2.106 1.197 836 HE1 TYR 106 2HE TYR 106 11.322 -0.688 -2.755 837 HE2 TYR 106 1HE TYR 106 11.346 3.129 -0.850 838 HH TYR 106 HH TYR 106 11.171 2.047 -3.676 839 H GLN 107 H GLN 107 7.724 -0.939 3.814 840 HA GLN 107 HA GLN 107 8.680 -3.172 5.122 841 HB2 GLN 107 1HB GLN 107 6.115 -1.674 5.681 842 HB3 GLN 107 2HB GLN 107 6.924 -2.759 6.805 843 HG2 GLN 107 1HG GLN 107 8.227 -0.300 5.672 844 HG3 GLN 107 2HG GLN 107 7.302 -0.304 7.174 845 HE21 GLN 107 1HE2 GLN 107 8.024 -1.862 8.834 846 HE22 GLN 107 2HE2 GLN 107 9.720 -2.142 9.001 847 H ILE 108 H ILE 108 5.354 -2.750 3.898 848 HA ILE 108 HA ILE 108 4.417 -5.299 4.404 849 HB ILE 108 HB ILE 108 3.713 -3.461 2.116 850 HG12 ILE 108 1HG1 ILE 108 1.597 -3.358 3.735 851 HG13 ILE 108 2HG1 ILE 108 2.811 -3.776 4.939 852 HG21 ILE 108 1HG2 ILE 108 2.360 -5.012 1.285 853 HG22 ILE 108 2HG2 ILE 108 3.052 -6.171 2.419 854 HG23 ILE 108 3HG2 ILE 108 1.609 -5.259 2.861 855 HD11 ILE 108 1HD1 ILE 108 2.184 -1.251 4.112 856 HD12 ILE 108 2HD1 ILE 108 3.673 -1.724 4.931 857 HD13 ILE 108 3HD1 ILE 108 3.631 -1.612 3.171 858 H ARG 109 H ARG 109 5.806 -4.117 1.337 859 HA ARG 109 HA ARG 109 5.761 -6.515 -0.055 860 HB2 ARG 109 1HB ARG 109 6.258 -4.488 -1.221 861 HB3 ARG 109 2HB ARG 109 7.668 -4.184 -0.216 862 HG2 ARG 109 1HG ARG 109 8.437 -6.505 -1.221 863 HG3 ARG 109 2HG ARG 109 7.333 -6.027 -2.513 864 HD2 ARG 109 1HD ARG 109 8.622 -4.251 -3.145 865 HD3 ARG 109 2HD ARG 109 9.272 -4.008 -1.524 866 HE ARG 109 HE ARG 109 10.342 -5.706 -3.593 867 HH11 ARG 109 1HH1 ARG 109 10.240 -5.028 -0.180 868 HH12 ARG 109 2HH1 ARG 109 11.758 -5.794 0.151 869 HH21 ARG 109 1HH2 ARG 109 12.343 -6.717 -3.171 870 HH22 ARG 109 2HH2 ARG 109 12.954 -6.753 -1.551 871 H ALA 110 H ALA 110 8.042 -5.343 2.333 872 HA ALA 110 HA ALA 110 10.052 -7.296 1.876 873 HB1 ALA 110 1HB ALA 110 9.894 -5.014 3.361 874 HB2 ALA 110 2HB ALA 110 9.861 -6.263 4.606 875 HB3 ALA 110 3HB ALA 110 11.197 -6.199 3.457 876 H HIS 111 H HIS 111 7.486 -7.041 4.335 877 HA HIS 111 HA HIS 111 8.025 -9.491 5.602 878 HB2 HIS 111 1HB HIS 111 5.301 -8.206 5.411 879 HB3 HIS 111 2HB HIS 111 5.926 -9.227 6.703 880 HD1 HIS 111 1HD HIS 111 8.299 -8.010 7.762 881 HD2 HIS 111 2HD HIS 111 5.273 -5.633 6.194 882 HE1 HIS 111 1HE HIS 111 8.643 -5.731 8.769 883 HE2 HIS 111 2HE HIS 111 6.751 -4.333 7.873 884 H PHE 112 H PHE 112 5.601 -8.668 3.126 885 HA PHE 112 HA PHE 112 4.581 -11.273 2.831 886 HB2 PHE 112 1HB PHE 112 4.565 -8.837 1.066 887 HB3 PHE 112 2HB PHE 112 3.864 -10.358 0.521 888 HD1 PHE 112 2HD PHE 112 3.775 -8.155 3.534 889 HD2 PHE 112 1HD PHE 112 1.613 -10.628 0.828 890 HE1 PHE 112 2HE PHE 112 1.684 -7.605 4.708 891 HE2 PHE 112 1HE PHE 112 -0.482 -10.081 1.996 892 HZ PHE 112 HZ PHE 112 -0.448 -8.569 3.939 893 H SER 113 H SER 113 6.910 -9.489 0.807 894 HA SER 113 HA SER 113 7.867 -12.085 -0.208 895 HB2 SER 113 1HB SER 113 8.464 -11.003 -2.279 896 HB3 SER 113 2HB SER 113 6.790 -10.588 -1.911 897 HG SER 113 HG SER 113 8.848 -8.950 -2.301 898 H SER 114 H SER 114 10.049 -12.488 -0.257 899 HA SER 114 HA SER 114 11.696 -10.644 1.323 900 HB2 SER 114 1HB SER 114 12.022 -13.581 0.679 901 HB3 SER 114 2HB SER 114 13.234 -12.629 1.535 902 HG SER 114 HG SER 114 12.115 -12.964 3.267 903 H GLY 115 H GLY 115 13.317 -9.536 0.431 904 HA2 GLY 115 1HA GLY 115 13.868 -9.939 -2.407 905 HA3 GLY 115 2HA GLY 115 14.365 -8.561 -1.435 906 HA PRO 116 HA PRO 116 18.418 -10.259 -1.378 907 HB2 PRO 116 1HB PRO 116 19.402 -8.951 0.788 908 HB3 PRO 116 2HB PRO 116 19.127 -8.160 -0.769 909 HG2 PRO 116 1HG PRO 116 17.417 -8.153 1.689 910 HG3 PRO 116 2HG PRO 116 17.829 -6.808 0.609 911 HD2 PRO 116 1HD PRO 116 15.459 -8.111 0.475 912 HD3 PRO 116 2HD PRO 116 16.248 -7.415 -0.955 913 H SER 117 H SER 117 19.003 -12.223 -0.727 914 HA SER 117 HA SER 117 17.804 -13.695 1.287 915 HB2 SER 117 1HB SER 117 20.574 -14.005 0.107 916 HB3 SER 117 2HB SER 117 19.770 -15.221 1.100 917 HG SER 117 HG SER 117 18.572 -15.767 -0.546 918 H SER 118 H SER 118 20.989 -12.099 1.397 919 HA SER 118 HA SER 118 21.493 -12.675 4.108 920 HB2 SER 118 1HB SER 118 23.331 -12.065 2.688 921 HB3 SER 118 2HB SER 118 22.581 -10.520 2.287 922 HG SER 118 HG SER 118 24.316 -10.726 4.051 923 H GLY 119 H GLY 119 20.357 -9.667 2.563 924 HA2 GLY 119 1HA GLY 119 18.763 -8.178 3.397 925 HA3 GLY 119 2HA GLY 119 18.754 -9.071 4.910 Start of MODEL 12 1 H1 GLY 1 H GLY 1 7.040 -12.456 -21.636 2 HA2 GLY 1 1HA GLY 1 8.506 -12.630 -19.635 3 HA3 GLY 1 2HA GLY 1 7.265 -11.403 -19.425 4 H SER 2 H SER 2 6.479 -11.473 -17.436 5 HA SER 2 HA SER 2 5.923 -12.277 -15.362 6 HB2 SER 2 1HB SER 2 4.116 -13.952 -15.429 7 HB3 SER 2 2HB SER 2 3.877 -12.702 -16.650 8 HG SER 2 HG SER 2 3.537 -14.724 -17.571 9 H SER 3 H SER 3 8.458 -13.145 -16.068 10 HA SER 3 HA SER 3 8.657 -15.987 -15.580 11 HB2 SER 3 1HB SER 3 11.045 -15.682 -15.836 12 HB3 SER 3 2HB SER 3 10.223 -14.777 -17.107 13 HG SER 3 HG SER 3 12.003 -13.800 -15.600 14 H GLY 4 H GLY 4 9.502 -12.994 -13.860 15 HA2 GLY 4 1HA GLY 4 8.927 -13.029 -11.436 16 HA3 GLY 4 2HA GLY 4 9.707 -14.603 -11.388 17 H SER 5 H SER 5 10.310 -12.194 -9.851 18 HA SER 5 HA SER 5 13.088 -11.776 -10.745 19 HB2 SER 5 1HB SER 5 12.986 -9.559 -9.628 20 HB3 SER 5 2HB SER 5 11.831 -9.700 -10.953 21 HG SER 5 HG SER 5 10.384 -9.185 -9.533 22 H SER 6 H SER 6 14.566 -11.154 -8.907 23 HA SER 6 HA SER 6 13.813 -12.136 -6.288 24 HB2 SER 6 1HB SER 6 15.713 -13.604 -8.092 25 HB3 SER 6 2HB SER 6 15.939 -13.652 -6.344 26 HG SER 6 HG SER 6 14.503 -15.291 -7.523 27 H GLY 7 H GLY 7 14.547 -10.601 -4.983 28 HA2 GLY 7 1HA GLY 7 16.505 -9.680 -3.874 29 HA3 GLY 7 2HA GLY 7 17.268 -9.561 -5.453 30 HA PRO 8 HA PRO 8 14.996 -5.576 -4.139 31 HB2 PRO 8 1HB PRO 8 17.146 -4.112 -3.362 32 HB3 PRO 8 2HB PRO 8 16.208 -5.108 -2.244 33 HG2 PRO 8 1HG PRO 8 18.808 -5.716 -3.597 34 HG3 PRO 8 2HG PRO 8 18.324 -6.016 -1.918 35 HD2 PRO 8 1HD PRO 8 18.316 -7.958 -3.806 36 HD3 PRO 8 2HD PRO 8 17.153 -7.925 -2.465 37 H ASN 9 H ASN 9 15.293 -3.453 -5.170 38 HA ASN 9 HA ASN 9 17.288 -3.046 -7.155 39 HB2 ASN 9 1HB ASN 9 14.662 -4.210 -7.970 40 HB3 ASN 9 2HB ASN 9 15.394 -2.995 -9.013 41 HD21 ASN 9 1HD2 ASN 9 17.916 -3.447 -9.175 42 HD22 ASN 9 2HD2 ASN 9 18.293 -5.059 -9.667 43 H ALA 10 H ALA 10 16.506 -1.170 -8.688 44 HA ALA 10 HA ALA 10 16.099 1.091 -7.160 45 HB1 ALA 10 1HB ALA 10 16.984 1.271 -9.374 46 HB2 ALA 10 2HB ALA 10 15.496 0.634 -10.076 47 HB3 ALA 10 3HB ALA 10 15.497 2.218 -9.300 48 H SER 11 H SER 11 14.177 2.678 -7.712 49 HA SER 11 HA SER 11 11.978 1.978 -6.285 50 HB2 SER 11 1HB SER 11 12.188 4.255 -6.879 51 HB3 SER 11 2HB SER 11 12.247 3.887 -8.602 52 HG SER 11 HG SER 11 10.174 4.688 -7.497 53 H GLN 12 H GLN 12 12.220 1.766 -9.834 54 HA GLN 12 HA GLN 12 9.844 0.858 -10.622 55 HB2 GLN 12 1HB GLN 12 11.787 0.990 -12.111 56 HB3 GLN 12 2HB GLN 12 12.467 -0.450 -11.365 57 HG2 GLN 12 1HG GLN 12 11.465 -1.036 -13.462 58 HG3 GLN 12 2HG GLN 12 10.522 -1.741 -12.150 59 HE21 GLN 12 1HE2 GLN 12 9.246 -1.676 -14.411 60 HE22 GLN 12 2HE2 GLN 12 8.084 -0.399 -14.487 61 H SER 13 H SER 13 12.250 -1.181 -8.992 62 HA SER 13 HA SER 13 11.026 -3.624 -9.061 63 HB2 SER 13 1HB SER 13 13.234 -2.788 -7.873 64 HB3 SER 13 2HB SER 13 12.191 -2.738 -6.452 65 HG SER 13 HG SER 13 11.822 -4.908 -6.649 66 H LEU 14 H LEU 14 10.546 -1.183 -6.504 67 HA LEU 14 HA LEU 14 8.503 -2.558 -5.160 68 HB2 LEU 14 1HB LEU 14 9.584 -0.826 -3.999 69 HB3 LEU 14 2HB LEU 14 9.287 0.336 -5.290 70 HG LEU 14 HG LEU 14 6.866 0.265 -4.710 71 HD11 LEU 14 1HD1 LEU 14 6.398 -1.688 -3.620 72 HD12 LEU 14 2HD1 LEU 14 6.565 -0.598 -2.244 73 HD13 LEU 14 3HD1 LEU 14 7.898 -1.662 -2.693 74 HD21 LEU 14 1HD2 LEU 14 8.880 1.707 -3.584 75 HD22 LEU 14 2HD2 LEU 14 8.097 1.023 -2.160 76 HD23 LEU 14 3HD2 LEU 14 7.162 1.987 -3.304 77 H LEU 15 H LEU 15 8.167 0.311 -7.260 78 HA LEU 15 HA LEU 15 5.493 0.541 -7.467 79 HB2 LEU 15 1HB LEU 15 7.283 1.853 -8.684 80 HB3 LEU 15 2HB LEU 15 7.244 0.590 -9.913 81 HG LEU 15 HG LEU 15 4.662 1.203 -9.925 82 HD11 LEU 15 1HD1 LEU 15 5.439 3.975 -9.684 83 HD12 LEU 15 2HD1 LEU 15 5.639 3.111 -8.160 84 HD13 LEU 15 3HD1 LEU 15 4.072 3.119 -8.969 85 HD21 LEU 15 1HD2 LEU 15 5.671 3.218 -11.519 86 HD22 LEU 15 2HD2 LEU 15 5.414 1.539 -11.996 87 HD23 LEU 15 3HD2 LEU 15 6.999 2.060 -11.422 88 H VAL 16 H VAL 16 7.464 -1.855 -9.164 89 HA VAL 16 HA VAL 16 5.360 -2.967 -10.698 90 HB VAL 16 HB VAL 16 7.925 -4.286 -9.797 91 HG11 VAL 16 1HG1 VAL 16 7.190 -5.300 -12.265 92 HG12 VAL 16 2HG1 VAL 16 7.035 -6.116 -10.708 93 HG13 VAL 16 3HG1 VAL 16 5.673 -5.212 -11.371 94 HG21 VAL 16 1HG2 VAL 16 7.595 -2.070 -11.446 95 HG22 VAL 16 2HG2 VAL 16 9.030 -3.087 -11.315 96 HG23 VAL 16 3HG2 VAL 16 7.821 -3.424 -12.554 97 H TRP 17 H TRP 17 6.932 -4.105 -7.707 98 HA TRP 17 HA TRP 17 5.684 -6.385 -7.120 99 HB2 TRP 17 1HB TRP 17 7.222 -5.119 -5.596 100 HB3 TRP 17 2HB TRP 17 5.845 -4.134 -5.108 101 HD1 TRP 17 HD TRP 17 6.993 -7.830 -5.004 102 HE1 TRP 17 1HE TRP 17 5.907 -8.942 -2.952 103 HE3 TRP 17 3HE TRP 17 4.068 -3.945 -3.427 104 HZ2 TRP 17 2HZ TRP 17 4.056 -8.263 -0.933 105 HZ3 TRP 17 3HZ TRP 17 2.669 -4.258 -1.427 106 HH2 TRP 17 HH TRP 17 2.664 -6.373 -0.208 107 H CYS 18 H CYS 18 4.206 -3.209 -6.461 108 HA CYS 18 HA CYS 18 1.727 -4.243 -5.598 109 HB2 CYS 18 1HB CYS 18 2.588 -1.922 -5.163 110 HB3 CYS 18 2HB CYS 18 2.222 -1.533 -6.839 111 HG CYS 18 HG CYS 18 -0.150 -2.592 -4.616 112 H LYS 19 H LYS 19 2.443 -2.523 -8.642 113 HA LYS 19 HA LYS 19 0.127 -2.927 -9.998 114 HB2 LYS 19 1HB LYS 19 2.908 -3.160 -11.164 115 HB3 LYS 19 2HB LYS 19 1.439 -2.858 -12.083 116 HG2 LYS 19 1HG LYS 19 1.170 -0.714 -11.135 117 HG3 LYS 19 2HG LYS 19 2.383 -1.031 -9.894 118 HD2 LYS 19 1HD LYS 19 3.595 0.244 -11.376 119 HD3 LYS 19 2HD LYS 19 3.959 -1.382 -11.959 120 HE2 LYS 19 1HE LYS 19 2.349 -1.182 -13.716 121 HE3 LYS 19 2HE LYS 19 1.741 0.336 -13.058 122 HZ1 LYS 19 1HZ LYS 19 4.175 -0.183 -14.589 123 HZ2 LYS 19 2HZ LYS 19 4.246 1.020 -13.402 124 HZ3 LYS 19 3HZ LYS 19 3.116 1.135 -14.657 125 H GLU 20 H GLU 20 2.484 -5.324 -9.168 126 HA GLU 20 HA GLU 20 1.641 -7.302 -11.047 127 HB2 GLU 20 1HB GLU 20 3.856 -7.088 -9.622 128 HB3 GLU 20 2HB GLU 20 2.942 -8.040 -8.461 129 HG2 GLU 20 1HG GLU 20 4.277 -9.499 -9.815 130 HG3 GLU 20 2HG GLU 20 2.574 -9.751 -10.192 131 H VAL 21 H VAL 21 1.268 -7.146 -7.500 132 HA VAL 21 HA VAL 21 -0.660 -9.212 -7.388 133 HB VAL 21 HB VAL 21 -0.837 -8.792 -5.109 134 HG11 VAL 21 1HG1 VAL 21 1.722 -7.485 -4.998 135 HG12 VAL 21 2HG1 VAL 21 1.302 -9.160 -4.632 136 HG13 VAL 21 3HG1 VAL 21 1.700 -8.690 -6.285 137 HG21 VAL 21 1HG2 VAL 21 -0.201 -6.557 -4.113 138 HG22 VAL 21 2HG2 VAL 21 -0.187 -5.927 -5.760 139 HG23 VAL 21 3HG2 VAL 21 -1.677 -6.579 -5.078 140 H THR 22 H THR 22 -0.876 -5.902 -8.218 141 HA THR 22 HA THR 22 -3.790 -5.903 -7.823 142 HB THR 22 HB THR 22 -3.683 -3.461 -8.134 143 HG1 THR 22 1HG THR 22 -1.051 -4.088 -8.780 144 HG21 THR 22 1HG2 THR 22 -1.633 -4.246 -6.075 145 HG22 THR 22 2HG2 THR 22 -3.348 -4.610 -5.881 146 HG23 THR 22 3HG2 THR 22 -2.810 -2.936 -6.007 147 H LYS 23 H LYS 23 -2.358 -7.273 -10.006 148 HA LYS 23 HA LYS 23 -2.741 -5.741 -12.394 149 HB2 LYS 23 1HB LYS 23 -1.940 -8.529 -11.734 150 HB3 LYS 23 2HB LYS 23 -2.581 -8.235 -13.345 151 HG2 LYS 23 1HG LYS 23 -0.848 -6.285 -13.367 152 HG3 LYS 23 2HG LYS 23 -0.076 -7.223 -12.087 153 HD2 LYS 23 1HD LYS 23 0.937 -7.954 -14.080 154 HD3 LYS 23 2HD LYS 23 -0.233 -9.211 -13.674 155 HE2 LYS 23 1HE LYS 23 -1.802 -8.327 -15.279 156 HE3 LYS 23 2HE LYS 23 -0.742 -6.959 -15.614 157 HZ1 LYS 23 1HZ LYS 23 -0.633 -8.754 -17.292 158 HZ2 LYS 23 2HZ LYS 23 -0.002 -9.789 -16.113 159 HZ3 LYS 23 3HZ LYS 23 0.863 -8.412 -16.580 160 H ASN 24 H ASN 24 -4.531 -8.327 -10.761 161 HA ASN 24 HA ASN 24 -6.676 -8.142 -12.727 162 HB2 ASN 24 1HB ASN 24 -7.655 -9.963 -11.100 163 HB3 ASN 24 2HB ASN 24 -6.362 -10.376 -12.222 164 HD21 ASN 24 1HD2 ASN 24 -4.153 -10.276 -11.370 165 HD22 ASN 24 2HD2 ASN 24 -3.887 -10.717 -9.721 166 H TYR 25 H TYR 25 -6.218 -5.847 -11.106 167 HA TYR 25 HA TYR 25 -8.612 -5.846 -9.390 168 HB2 TYR 25 1HB TYR 25 -6.002 -4.386 -9.217 169 HB3 TYR 25 2HB TYR 25 -7.444 -3.667 -8.509 170 HD1 TYR 25 2HD TYR 25 -5.562 -6.894 -8.528 171 HD2 TYR 25 1HD TYR 25 -7.967 -4.171 -6.313 172 HE1 TYR 25 2HE TYR 25 -5.249 -8.266 -6.511 173 HE2 TYR 25 1HE TYR 25 -7.660 -5.535 -4.290 174 HH TYR 25 HH TYR 25 -5.631 -8.450 -4.331 175 H ARG 26 H ARG 26 -9.379 -3.389 -9.160 176 HA ARG 26 HA ARG 26 -9.635 -2.307 -11.888 177 HB2 ARG 26 1HB ARG 26 -11.699 -3.464 -11.144 178 HB3 ARG 26 2HB ARG 26 -11.789 -2.372 -9.769 179 HG2 ARG 26 1HG ARG 26 -12.276 -0.524 -11.124 180 HG3 ARG 26 2HG ARG 26 -11.762 -1.360 -12.591 181 HD2 ARG 26 1HD ARG 26 -14.017 -1.577 -12.822 182 HD3 ARG 26 2HD ARG 26 -13.694 -3.024 -11.868 183 HE ARG 26 HE ARG 26 -14.197 -1.199 -9.968 184 HH11 ARG 26 1HH1 ARG 26 -15.891 -2.053 -12.886 185 HH12 ARG 26 2HH1 ARG 26 -17.452 -1.641 -12.256 186 HH21 ARG 26 1HH2 ARG 26 -16.246 -0.654 -9.126 187 HH22 ARG 26 2HH2 ARG 26 -17.652 -0.845 -10.118 188 H GLY 27 H GLY 27 -8.725 -0.368 -12.015 189 HA2 GLY 27 1HA GLY 27 -8.416 1.885 -11.532 190 HA3 GLY 27 2HA GLY 27 -9.333 1.664 -10.049 191 H VAL 28 H VAL 28 -6.487 -0.161 -11.069 192 HA VAL 28 HA VAL 28 -4.936 1.139 -8.936 193 HB VAL 28 HB VAL 28 -4.810 -1.829 -9.440 194 HG11 VAL 28 1HG1 VAL 28 -4.048 -1.270 -6.844 195 HG12 VAL 28 2HG1 VAL 28 -2.969 -1.595 -8.202 196 HG13 VAL 28 3HG1 VAL 28 -3.375 0.068 -7.775 197 HG21 VAL 28 1HG2 VAL 28 -7.065 -1.249 -8.674 198 HG22 VAL 28 2HG2 VAL 28 -6.173 -2.144 -7.444 199 HG23 VAL 28 3HG2 VAL 28 -6.374 -0.399 -7.292 200 H LYS 29 H LYS 29 -3.613 2.277 -10.287 201 HA LYS 29 HA LYS 29 -1.981 0.700 -12.169 202 HB2 LYS 29 1HB LYS 29 -3.542 2.505 -13.113 203 HB3 LYS 29 2HB LYS 29 -2.445 3.669 -12.381 204 HG2 LYS 29 1HG LYS 29 -0.623 2.884 -13.736 205 HG3 LYS 29 2HG LYS 29 -1.618 1.577 -14.382 206 HD2 LYS 29 1HD LYS 29 -1.592 3.262 -16.041 207 HD3 LYS 29 2HD LYS 29 -3.171 3.374 -15.260 208 HE2 LYS 29 1HE LYS 29 -2.268 5.197 -13.833 209 HE3 LYS 29 2HE LYS 29 -0.770 5.130 -14.760 210 HZ1 LYS 29 1HZ LYS 29 -1.808 6.714 -15.953 211 HZ2 LYS 29 2HZ LYS 29 -3.360 6.221 -15.499 212 HZ3 LYS 29 3HZ LYS 29 -2.535 5.394 -16.722 213 H ILE 30 H ILE 30 -2.014 2.777 -9.440 214 HA ILE 30 HA ILE 30 -0.382 3.720 -8.154 215 HB ILE 30 HB ILE 30 1.341 1.473 -9.197 216 HG12 ILE 30 1HG1 ILE 30 0.396 0.486 -6.897 217 HG13 ILE 30 2HG1 ILE 30 -0.983 1.487 -7.337 218 HG21 ILE 30 1HG2 ILE 30 2.041 3.520 -7.574 219 HG22 ILE 30 2HG2 ILE 30 1.490 2.335 -6.391 220 HG23 ILE 30 3HG2 ILE 30 2.777 1.918 -7.522 221 HD11 ILE 30 1HD1 ILE 30 -0.416 -1.093 -8.208 222 HD12 ILE 30 2HD1 ILE 30 -1.669 -0.010 -8.813 223 HD13 ILE 30 3HD1 ILE 30 -0.088 -0.052 -9.593 224 H THR 31 H THR 31 -0.572 5.195 -10.329 225 HA THR 31 HA THR 31 1.700 5.394 -11.979 226 HB THR 31 HB THR 31 -0.356 6.464 -12.648 227 HG1 THR 31 1HG THR 31 1.564 7.479 -13.364 228 HG21 THR 31 1HG2 THR 31 -0.398 8.789 -11.003 229 HG22 THR 31 2HG2 THR 31 -0.407 7.368 -9.959 230 HG23 THR 31 3HG2 THR 31 -1.644 7.559 -11.201 231 H ASN 32 H ASN 32 1.049 6.519 -8.760 232 HA ASN 32 HA ASN 32 3.799 7.437 -8.531 233 HB2 ASN 32 1HB ASN 32 1.603 9.248 -7.548 234 HB3 ASN 32 2HB ASN 32 3.313 9.613 -7.761 235 HD21 ASN 32 1HD2 ASN 32 0.333 10.104 -9.007 236 HD22 ASN 32 2HD2 ASN 32 0.752 10.470 -10.643 237 H PHE 33 H PHE 33 4.098 8.251 -6.122 238 HA PHE 33 HA PHE 33 2.777 6.258 -4.401 239 HB2 PHE 33 1HB PHE 33 5.590 7.341 -4.368 240 HB3 PHE 33 2HB PHE 33 4.893 6.510 -2.981 241 HD1 PHE 33 2HD PHE 33 3.815 4.171 -3.534 242 HD2 PHE 33 1HD PHE 33 6.763 6.114 -5.911 243 HE1 PHE 33 2HE PHE 33 4.446 2.005 -4.515 244 HE2 PHE 33 1HE PHE 33 7.399 3.951 -6.897 245 HZ PHE 33 HZ PHE 33 6.240 1.893 -6.198 246 H THR 34 H THR 34 1.740 8.877 -4.936 247 HA THR 34 HA THR 34 1.913 10.024 -2.229 248 HB THR 34 HB THR 34 1.451 12.266 -3.292 249 HG1 THR 34 1HG THR 34 2.368 12.152 -5.612 250 HG21 THR 34 1HG2 THR 34 3.991 11.880 -4.474 251 HG22 THR 34 2HG2 THR 34 3.902 10.813 -3.073 252 HG23 THR 34 3HG2 THR 34 3.621 12.543 -2.883 253 H THR 35 H THR 35 -0.066 10.675 -5.116 254 HA THR 35 HA THR 35 -2.451 10.853 -3.519 255 HB THR 35 HB THR 35 -3.609 11.265 -5.665 256 HG1 THR 35 1HG THR 35 -2.139 11.479 -7.534 257 HG21 THR 35 1HG2 THR 35 -1.066 12.877 -5.561 258 HG22 THR 35 2HG2 THR 35 -2.364 13.063 -4.381 259 HG23 THR 35 3HG2 THR 35 -2.666 13.399 -6.086 260 H SER 36 H SER 36 -1.392 8.726 -6.178 261 HA SER 36 HA SER 36 -3.428 7.021 -6.493 262 HB2 SER 36 1HB SER 36 -1.433 6.585 -7.705 263 HB3 SER 36 2HB SER 36 -0.494 6.364 -6.229 264 HG SER 36 HG SER 36 -2.657 4.670 -6.533 265 H TRP 37 H TRP 37 -1.355 7.164 -3.665 266 HA TRP 37 HA TRP 37 -2.816 4.941 -2.437 267 HB2 TRP 37 1HB TRP 37 -0.409 6.420 -1.358 268 HB3 TRP 37 2HB TRP 37 -1.074 4.900 -0.766 269 HD1 TRP 37 HD TRP 37 0.860 6.330 -3.775 270 HE1 TRP 37 1HE TRP 37 2.111 4.396 -4.923 271 HE3 TRP 37 3HE TRP 37 -1.029 2.424 -1.072 272 HZ2 TRP 37 2HZ TRP 37 2.275 1.586 -4.711 273 HZ3 TRP 37 3HZ TRP 37 -0.274 0.144 -1.608 274 HH2 TRP 37 HH TRP 37 1.344 -0.264 -3.391 275 H ARG 38 H ARG 38 -2.346 8.385 -2.227 276 HA ARG 38 HA ARG 38 -3.062 9.167 0.223 277 HB2 ARG 38 1HB ARG 38 -2.824 10.871 -1.371 278 HB3 ARG 38 2HB ARG 38 -4.034 10.169 -2.437 279 HG2 ARG 38 1HG ARG 38 -5.778 11.075 -1.288 280 HG3 ARG 38 2HG ARG 38 -4.911 11.072 0.249 281 HD2 ARG 38 1HD ARG 38 -3.462 12.899 -0.675 282 HD3 ARG 38 2HD ARG 38 -4.550 12.972 -2.061 283 HE ARG 38 HE ARG 38 -5.071 13.924 0.622 284 HH11 ARG 38 1HH1 ARG 38 -6.404 13.042 -2.471 285 HH12 ARG 38 2HH1 ARG 38 -7.856 13.962 -2.253 286 HH21 ARG 38 1HH2 ARG 38 -6.978 15.139 0.920 287 HH22 ARG 38 2HH2 ARG 38 -8.181 15.155 -0.325 288 H ASN 39 H ASN 39 -5.343 7.890 -2.174 289 HA ASN 39 HA ASN 39 -7.631 8.144 -0.503 290 HB2 ASN 39 1HB ASN 39 -8.514 6.352 -2.219 291 HB3 ASN 39 2HB ASN 39 -8.226 8.012 -2.733 292 HD21 ASN 39 1HD2 ASN 39 -8.115 7.018 -4.861 293 HD22 ASN 39 2HD2 ASN 39 -6.613 6.351 -5.394 294 H GLY 40 H GLY 40 -5.530 5.403 -1.354 295 HA2 GLY 40 1HA GLY 40 -4.902 3.809 0.348 296 HA3 GLY 40 2HA GLY 40 -6.472 4.061 1.096 297 H LEU 41 H LEU 41 -5.685 3.449 -2.307 298 HA LEU 41 HA LEU 41 -7.562 1.207 -2.264 299 HB2 LEU 41 1HB LEU 41 -6.317 2.788 -4.498 300 HB3 LEU 41 2HB LEU 41 -7.273 1.334 -4.771 301 HG LEU 41 HG LEU 41 -8.261 3.896 -3.518 302 HD11 LEU 41 1HD1 LEU 41 -9.685 3.916 -5.605 303 HD12 LEU 41 2HD1 LEU 41 -8.599 2.684 -6.248 304 HD13 LEU 41 3HD1 LEU 41 -7.973 4.279 -5.828 305 HD21 LEU 41 1HD2 LEU 41 -9.585 1.250 -4.051 306 HD22 LEU 41 2HD2 LEU 41 -10.497 2.745 -3.844 307 HD23 LEU 41 3HD2 LEU 41 -9.485 2.140 -2.532 308 H SER 42 H SER 42 -4.353 1.930 -3.647 309 HA SER 42 HA SER 42 -3.692 -0.706 -4.305 310 HB2 SER 42 1HB SER 42 -1.785 1.515 -3.534 311 HB3 SER 42 2HB SER 42 -1.392 0.078 -4.478 312 HG SER 42 HG SER 42 -3.481 1.669 -5.398 313 H PHE 43 H PHE 43 -3.433 1.057 -1.296 314 HA PHE 43 HA PHE 43 -1.700 -0.717 0.052 315 HB2 PHE 43 1HB PHE 43 -3.598 1.433 0.869 316 HB3 PHE 43 2HB PHE 43 -3.028 0.320 2.108 317 HD1 PHE 43 2HD PHE 43 -0.289 -0.160 1.524 318 HD2 PHE 43 1HD PHE 43 -2.511 3.440 1.058 319 HE1 PHE 43 2HE PHE 43 1.786 1.144 1.740 320 HE2 PHE 43 1HE PHE 43 -0.440 4.750 1.273 321 HZ PHE 43 HZ PHE 43 1.712 3.603 1.615 322 H CYS 44 H CYS 44 -5.235 -0.520 -0.121 323 HA CYS 44 HA CYS 44 -5.617 -2.802 1.581 324 HB2 CYS 44 1HB CYS 44 -7.468 -1.142 -0.122 325 HB3 CYS 44 2HB CYS 44 -8.025 -2.580 0.727 326 HG CYS 44 HG CYS 44 -7.478 0.482 1.887 327 H ALA 45 H ALA 45 -5.486 -2.194 -1.868 328 HA ALA 45 HA ALA 45 -6.584 -4.581 -2.813 329 HB1 ALA 45 1HB ALA 45 -4.282 -3.408 -4.275 330 HB2 ALA 45 2HB ALA 45 -5.855 -3.939 -4.873 331 HB3 ALA 45 3HB ALA 45 -5.707 -2.397 -4.030 332 H ILE 46 H ILE 46 -3.158 -3.787 -2.222 333 HA ILE 46 HA ILE 46 -2.000 -6.184 -2.900 334 HB ILE 46 HB ILE 46 -1.241 -4.329 -0.643 335 HG12 ILE 46 1HG1 ILE 46 0.162 -4.605 -3.283 336 HG13 ILE 46 2HG1 ILE 46 -1.275 -3.598 -3.145 337 HG21 ILE 46 1HG2 ILE 46 -0.216 -6.405 -0.144 338 HG22 ILE 46 2HG2 ILE 46 0.225 -6.671 -1.830 339 HG23 ILE 46 3HG2 ILE 46 1.025 -5.405 -0.899 340 HD11 ILE 46 1HD1 ILE 46 0.870 -3.166 -1.158 341 HD12 ILE 46 2HD1 ILE 46 1.177 -2.649 -2.816 342 HD13 ILE 46 3HD1 ILE 46 -0.211 -2.011 -1.936 343 H LEU 47 H LEU 47 -2.920 -5.274 0.429 344 HA LEU 47 HA LEU 47 -2.492 -7.729 1.624 345 HB2 LEU 47 1HB LEU 47 -2.967 -5.635 2.826 346 HB3 LEU 47 2HB LEU 47 -4.647 -5.732 2.301 347 HG LEU 47 HG LEU 47 -4.781 -7.918 3.569 348 HD11 LEU 47 1HD1 LEU 47 -2.699 -8.690 4.043 349 HD12 LEU 47 2HD1 LEU 47 -2.985 -7.773 5.521 350 HD13 LEU 47 3HD1 LEU 47 -2.017 -7.073 4.223 351 HD21 LEU 47 1HD2 LEU 47 -5.310 -6.846 5.595 352 HD22 LEU 47 2HD2 LEU 47 -5.596 -5.640 4.340 353 HD23 LEU 47 3HD2 LEU 47 -4.131 -5.563 5.320 354 H HIS 48 H HIS 48 -5.209 -6.630 -0.284 355 HA HIS 48 HA HIS 48 -6.980 -8.746 0.396 356 HB2 HIS 48 1HB HIS 48 -7.701 -6.579 -0.602 357 HB3 HIS 48 2HB HIS 48 -6.954 -7.067 -2.120 358 HD1 HIS 48 1HD HIS 48 -8.001 -9.387 -3.147 359 HD2 HIS 48 2HD HIS 48 -10.299 -7.315 -0.373 360 HE1 HIS 48 1HE HIS 48 -10.348 -10.242 -3.445 361 HE2 HIS 48 2HE HIS 48 -11.734 -8.913 -1.815 362 H HIS 49 H HIS 49 -4.592 -8.277 -2.157 363 HA HIS 49 HA HIS 49 -5.146 -10.336 -3.869 364 HB2 HIS 49 1HB HIS 49 -3.224 -8.628 -3.939 365 HB3 HIS 49 2HB HIS 49 -2.325 -9.789 -2.967 366 HD1 HIS 49 1HD HIS 49 -4.478 -10.224 -6.083 367 HD2 HIS 49 2HD HIS 49 -0.676 -11.096 -4.652 368 HE1 HIS 49 1HE HIS 49 -3.349 -11.519 -7.920 369 HE2 HIS 49 2HE HIS 49 -1.081 -12.109 -6.998 370 H PHE 50 H PHE 50 -3.483 -10.531 -0.756 371 HA PHE 50 HA PHE 50 -3.052 -13.375 -1.003 372 HB2 PHE 50 1HB PHE 50 -2.735 -11.687 1.481 373 HB3 PHE 50 2HB PHE 50 -1.981 -13.240 1.133 374 HD1 PHE 50 2HD PHE 50 -1.933 -9.647 0.430 375 HD2 PHE 50 1HD PHE 50 -0.049 -13.396 -0.287 376 HE1 PHE 50 2HE PHE 50 0.023 -8.482 -0.501 377 HE2 PHE 50 1HE PHE 50 1.911 -12.236 -1.218 378 HZ PHE 50 HZ PHE 50 1.949 -9.776 -1.327 379 H ARG 51 H ARG 51 -5.150 -11.226 0.877 380 HA ARG 51 HA ARG 51 -6.950 -13.499 1.326 381 HB2 ARG 51 1HB ARG 51 -5.425 -12.811 3.346 382 HB3 ARG 51 2HB ARG 51 -6.562 -11.478 3.501 383 HG2 ARG 51 1HG ARG 51 -7.333 -13.146 4.959 384 HG3 ARG 51 2HG ARG 51 -8.393 -13.224 3.549 385 HD2 ARG 51 1HD ARG 51 -7.398 -15.186 2.764 386 HD3 ARG 51 2HD ARG 51 -5.959 -14.961 3.758 387 HE ARG 51 HE ARG 51 -8.076 -15.246 5.510 388 HH11 ARG 51 1HH1 ARG 51 -6.545 -17.140 3.022 389 HH12 ARG 51 2HH1 ARG 51 -6.932 -18.660 3.758 390 HH21 ARG 51 1HH2 ARG 51 -8.592 -17.241 6.489 391 HH22 ARG 51 2HH2 ARG 51 -8.097 -18.716 5.730 392 HA PRO 52 HA PRO 52 -9.528 -10.251 -0.451 393 HB2 PRO 52 1HB PRO 52 -11.567 -11.922 -1.096 394 HB3 PRO 52 2HB PRO 52 -10.111 -11.758 -2.083 395 HG2 PRO 52 1HG PRO 52 -10.810 -13.863 -0.073 396 HG3 PRO 52 2HG PRO 52 -10.068 -14.047 -1.673 397 HD2 PRO 52 1HD PRO 52 -8.624 -14.103 0.617 398 HD3 PRO 52 2HD PRO 52 -7.973 -13.467 -0.907 399 H ASP 53 H ASP 53 -9.792 -12.060 2.351 400 HA ASP 53 HA ASP 53 -12.417 -10.957 3.057 401 HB2 ASP 53 1HB ASP 53 -11.872 -13.423 3.396 402 HB3 ASP 53 2HB ASP 53 -10.789 -12.906 4.686 403 H LEU 54 H LEU 54 -9.043 -11.017 4.089 404 HA LEU 54 HA LEU 54 -9.064 -9.759 6.484 405 HB2 LEU 54 1HB LEU 54 -7.238 -9.633 4.150 406 HB3 LEU 54 2HB LEU 54 -7.002 -8.445 5.430 407 HG LEU 54 HG LEU 54 -7.035 -11.417 5.919 408 HD11 LEU 54 1HD1 LEU 54 -4.964 -9.725 4.768 409 HD12 LEU 54 2HD1 LEU 54 -5.081 -11.483 4.847 410 HD13 LEU 54 3HD1 LEU 54 -4.439 -10.580 6.219 411 HD21 LEU 54 1HD2 LEU 54 -6.327 -10.942 8.059 412 HD22 LEU 54 2HD2 LEU 54 -7.443 -9.611 7.752 413 HD23 LEU 54 3HD2 LEU 54 -5.703 -9.352 7.616 414 H ILE 55 H ILE 55 -9.523 -8.221 3.336 415 HA ILE 55 HA ILE 55 -10.399 -5.785 4.746 416 HB ILE 55 HB ILE 55 -9.438 -5.583 1.938 417 HG12 ILE 55 1HG1 ILE 55 -7.135 -5.028 3.182 418 HG13 ILE 55 2HG1 ILE 55 -7.740 -6.256 4.289 419 HG21 ILE 55 1HG2 ILE 55 -9.868 -3.463 2.457 420 HG22 ILE 55 2HG2 ILE 55 -10.039 -3.847 4.169 421 HG23 ILE 55 3HG2 ILE 55 -8.444 -3.511 3.496 422 HD11 ILE 55 1HD1 ILE 55 -8.047 -7.169 1.602 423 HD12 ILE 55 2HD1 ILE 55 -6.388 -6.629 1.864 424 HD13 ILE 55 3HD1 ILE 55 -7.092 -7.857 2.915 425 H ASP 56 H ASP 56 -11.831 -4.398 3.261 426 HA ASP 56 HA ASP 56 -13.847 -6.176 2.075 427 HB2 ASP 56 1HB ASP 56 -14.276 -4.434 4.026 428 HB3 ASP 56 2HB ASP 56 -14.418 -3.308 2.679 429 H TYR 57 H TYR 57 -11.369 -5.092 0.778 430 HA TYR 57 HA TYR 57 -11.813 -3.042 -0.995 431 HB2 TYR 57 1HB TYR 57 -9.680 -4.354 -0.681 432 HB3 TYR 57 2HB TYR 57 -10.371 -5.597 -1.718 433 HD1 TYR 57 2HD TYR 57 -11.183 -4.788 -4.067 434 HD2 TYR 57 1HD TYR 57 -8.429 -2.648 -1.631 435 HE1 TYR 57 2HE TYR 57 -10.364 -3.592 -6.054 436 HE2 TYR 57 1HE TYR 57 -7.603 -1.445 -3.611 437 HH TYR 57 HH TYR 57 -8.867 -2.155 -6.851 438 H LYS 58 H LYS 58 -13.260 -6.166 -0.947 439 HA LYS 58 HA LYS 58 -13.978 -6.496 -3.624 440 HB2 LYS 58 1HB LYS 58 -15.649 -8.035 -2.847 441 HB3 LYS 58 2HB LYS 58 -14.234 -8.204 -1.816 442 HG2 LYS 58 1HG LYS 58 -15.430 -6.585 -0.233 443 HG3 LYS 58 2HG LYS 58 -16.874 -6.937 -1.186 444 HD2 LYS 58 1HD LYS 58 -16.945 -8.459 0.602 445 HD3 LYS 58 2HD LYS 58 -16.344 -9.399 -0.766 446 HE2 LYS 58 1HE LYS 58 -14.236 -9.573 0.105 447 HE3 LYS 58 2HE LYS 58 -14.359 -8.055 0.993 448 HZ1 LYS 58 1HZ LYS 58 -15.644 -9.075 2.661 449 HZ2 LYS 58 2HZ LYS 58 -14.363 -10.140 2.368 450 HZ3 LYS 58 3HZ LYS 58 -15.899 -10.472 1.742 451 H SER 59 H SER 59 -15.367 -4.504 -1.105 452 HA SER 59 HA SER 59 -17.219 -3.383 -3.099 453 HB2 SER 59 1HB SER 59 -18.247 -4.882 -1.225 454 HB3 SER 59 2HB SER 59 -17.956 -3.485 -0.189 455 HG SER 59 HG SER 59 -19.334 -3.274 -2.649 456 H LEU 60 H LEU 60 -14.601 -2.462 -2.417 457 HA LEU 60 HA LEU 60 -15.048 -0.100 -0.762 458 HB2 LEU 60 1HB LEU 60 -12.639 -1.466 -1.880 459 HB3 LEU 60 2HB LEU 60 -12.533 0.221 -1.382 460 HG LEU 60 HG LEU 60 -13.051 -2.202 0.318 461 HD11 LEU 60 1HD1 LEU 60 -11.057 -1.707 1.342 462 HD12 LEU 60 2HD1 LEU 60 -11.129 0.000 0.907 463 HD13 LEU 60 3HD1 LEU 60 -10.719 -1.204 -0.314 464 HD21 LEU 60 1HD2 LEU 60 -13.598 0.689 0.932 465 HD22 LEU 60 2HD2 LEU 60 -13.292 -0.507 2.192 466 HD23 LEU 60 3HD2 LEU 60 -14.676 -0.695 1.114 467 H ASN 61 H ASN 61 -13.557 1.832 -1.754 468 HA ASN 61 HA ASN 61 -13.695 2.226 -4.553 469 HB2 ASN 61 1HB ASN 61 -15.980 3.200 -2.890 470 HB3 ASN 61 2HB ASN 61 -15.422 4.203 -4.225 471 HD21 ASN 61 1HD2 ASN 61 -14.758 2.390 -6.115 472 HD22 ASN 61 2HD2 ASN 61 -16.153 1.496 -6.606 473 HA PRO 62 HA PRO 62 -10.924 5.488 -3.588 474 HB2 PRO 62 1HB PRO 62 -11.403 7.268 -5.581 475 HB3 PRO 62 2HB PRO 62 -10.573 5.729 -5.845 476 HG2 PRO 62 1HG PRO 62 -13.435 6.448 -6.347 477 HG3 PRO 62 2HG PRO 62 -12.323 5.512 -7.361 478 HD2 PRO 62 1HD PRO 62 -14.189 4.345 -5.785 479 HD3 PRO 62 2HD PRO 62 -12.622 3.586 -6.131 480 H GLN 63 H GLN 63 -14.153 5.801 -3.088 481 HA GLN 63 HA GLN 63 -14.302 8.641 -2.643 482 HB2 GLN 63 1HB GLN 63 -16.521 8.055 -1.600 483 HB3 GLN 63 2HB GLN 63 -16.331 7.572 -3.280 484 HG2 GLN 63 1HG GLN 63 -17.434 5.856 -1.926 485 HG3 GLN 63 2HG GLN 63 -15.917 5.292 -2.625 486 HE21 GLN 63 1HE2 GLN 63 -15.395 3.754 -1.172 487 HE22 GLN 63 2HE2 GLN 63 -15.075 4.060 0.498 488 H ASP 64 H ASP 64 -13.250 5.919 -0.866 489 HA ASP 64 HA ASP 64 -13.429 7.389 1.672 490 HB2 ASP 64 1HB ASP 64 -13.290 4.495 0.964 491 HB3 ASP 64 2HB ASP 64 -12.591 5.007 2.498 492 H ILE 65 H ILE 65 -11.686 8.517 2.197 493 HA ILE 65 HA ILE 65 -9.068 7.673 1.190 494 HB ILE 65 HB ILE 65 -9.944 10.278 2.440 495 HG12 ILE 65 1HG1 ILE 65 -9.102 9.615 -0.390 496 HG13 ILE 65 2HG1 ILE 65 -10.761 9.871 0.139 497 HG21 ILE 65 1HG2 ILE 65 -7.331 9.133 2.165 498 HG22 ILE 65 2HG2 ILE 65 -7.464 10.575 1.159 499 HG23 ILE 65 3HG2 ILE 65 -7.805 10.671 2.886 500 HD11 ILE 65 1HD1 ILE 65 -8.539 11.896 0.113 501 HD12 ILE 65 2HD1 ILE 65 -9.961 11.854 -0.930 502 HD13 ILE 65 3HD1 ILE 65 -10.142 12.174 0.795 503 H LYS 66 H LYS 66 -10.766 8.449 4.187 504 HA LYS 66 HA LYS 66 -8.444 7.840 5.808 505 HB2 LYS 66 1HB LYS 66 -9.832 9.605 6.617 506 HB3 LYS 66 2HB LYS 66 -11.281 8.618 6.474 507 HG2 LYS 66 1HG LYS 66 -10.874 7.488 8.408 508 HG3 LYS 66 2HG LYS 66 -9.122 7.658 8.269 509 HD2 LYS 66 1HD LYS 66 -9.718 9.045 10.067 510 HD3 LYS 66 2HD LYS 66 -9.502 10.146 8.704 511 HE2 LYS 66 1HE LYS 66 -11.489 10.899 9.593 512 HE3 LYS 66 2HE LYS 66 -12.061 9.773 8.363 513 HZ1 LYS 66 1HZ LYS 66 -13.246 8.933 10.047 514 HZ2 LYS 66 2HZ LYS 66 -12.263 9.619 11.241 515 HZ3 LYS 66 3HZ LYS 66 -11.803 8.171 10.496 516 H GLU 67 H GLU 67 -11.701 6.478 5.340 517 HA GLU 67 HA GLU 67 -11.428 4.274 7.023 518 HB2 GLU 67 1HB GLU 67 -13.570 5.012 6.047 519 HB3 GLU 67 2HB GLU 67 -13.031 4.463 4.467 520 HG2 GLU 67 1HG GLU 67 -13.321 2.264 4.971 521 HG3 GLU 67 2HG GLU 67 -13.016 2.502 6.690 522 H ASN 68 H ASN 68 -11.045 4.351 3.475 523 HA ASN 68 HA ASN 68 -10.227 1.791 3.014 524 HB2 ASN 68 1HB ASN 68 -9.544 4.400 1.725 525 HB3 ASN 68 2HB ASN 68 -8.668 2.957 1.222 526 HD21 ASN 68 1HD2 ASN 68 -9.774 3.651 -0.823 527 HD22 ASN 68 2HD2 ASN 68 -11.335 2.979 -1.134 528 H ASN 69 H ASN 69 -8.050 4.515 3.765 529 HA ASN 69 HA ASN 69 -5.686 3.032 3.885 530 HB2 ASN 69 1HB ASN 69 -6.557 5.655 5.048 531 HB3 ASN 69 2HB ASN 69 -4.998 4.973 5.505 532 HD21 ASN 69 1HD2 ASN 69 -6.942 5.607 2.606 533 HD22 ASN 69 2HD2 ASN 69 -5.620 6.140 1.630 534 H LYS 70 H LYS 70 -7.929 3.954 6.483 535 HA LYS 70 HA LYS 70 -6.616 2.945 8.671 536 HB2 LYS 70 1HB LYS 70 -8.668 4.154 8.949 537 HB3 LYS 70 2HB LYS 70 -9.568 2.947 8.040 538 HG2 LYS 70 1HG LYS 70 -9.656 1.489 9.790 539 HG3 LYS 70 2HG LYS 70 -8.148 2.073 10.496 540 HD2 LYS 70 1HD LYS 70 -9.329 4.172 11.125 541 HD3 LYS 70 2HD LYS 70 -10.832 3.450 10.547 542 HE2 LYS 70 1HE LYS 70 -9.083 2.346 12.743 543 HE3 LYS 70 2HE LYS 70 -10.580 3.244 12.982 544 HZ1 LYS 70 1HZ LYS 70 -11.604 1.423 11.522 545 HZ2 LYS 70 2HZ LYS 70 -11.235 1.044 13.129 546 HZ3 LYS 70 3HZ LYS 70 -10.212 0.533 11.883 547 H LYS 71 H LYS 71 -8.726 1.174 6.432 548 HA LYS 71 HA LYS 71 -8.802 -1.289 7.649 549 HB2 LYS 71 1HB LYS 71 -8.770 -0.468 4.762 550 HB3 LYS 71 2HB LYS 71 -8.803 -2.171 5.198 551 HG2 LYS 71 1HG LYS 71 -10.930 -2.065 6.020 552 HG3 LYS 71 2HG LYS 71 -10.798 -0.357 6.448 553 HD2 LYS 71 1HD LYS 71 -10.607 -0.078 3.828 554 HD3 LYS 71 2HD LYS 71 -11.460 -1.623 3.835 555 HE2 LYS 71 1HE LYS 71 -12.484 0.556 5.579 556 HE3 LYS 71 2HE LYS 71 -12.749 0.691 3.842 557 HZ1 LYS 71 1HZ LYS 71 -14.456 -0.536 5.367 558 HZ2 LYS 71 2HZ LYS 71 -13.401 -1.842 5.166 559 HZ3 LYS 71 3HZ LYS 71 -14.117 -1.118 3.815 560 H ALA 72 H ALA 72 -6.470 -0.399 5.096 561 HA ALA 72 HA ALA 72 -4.833 -2.572 5.147 562 HB1 ALA 72 1HB ALA 72 -4.213 -1.076 3.535 563 HB2 ALA 72 2HB ALA 72 -4.340 0.312 4.616 564 HB3 ALA 72 3HB ALA 72 -2.952 -0.770 4.731 565 H TYR 73 H TYR 73 -3.833 0.380 6.867 566 HA TYR 73 HA TYR 73 -1.846 -0.514 8.407 567 HB2 TYR 73 1HB TYR 73 -4.080 1.183 9.534 568 HB3 TYR 73 2HB TYR 73 -2.408 1.141 10.084 569 HD1 TYR 73 1HD TYR 73 -0.897 1.272 7.592 570 HD2 TYR 73 2HD TYR 73 -4.448 3.325 8.720 571 HE1 TYR 73 1HE TYR 73 -0.334 3.089 6.032 572 HE2 TYR 73 2HE TYR 73 -3.896 5.147 7.163 573 HH TYR 73 HH TYR 73 -2.550 5.484 5.126 574 H ASP 74 H ASP 74 -5.276 -0.997 9.158 575 HA ASP 74 HA ASP 74 -4.909 -2.321 11.612 576 HB2 ASP 74 1HB ASP 74 -7.072 -1.379 10.407 577 HB3 ASP 74 2HB ASP 74 -7.207 -3.044 9.847 578 H GLY 75 H GLY 75 -5.229 -3.559 8.300 579 HA2 GLY 75 1HA GLY 75 -5.043 -6.305 9.086 580 HA3 GLY 75 2HA GLY 75 -4.930 -5.681 7.447 581 H PHE 76 H PHE 76 -2.779 -4.202 7.302 582 HA PHE 76 HA PHE 76 -0.647 -5.952 7.175 583 HB2 PHE 76 1HB PHE 76 -0.701 -2.941 7.373 584 HB3 PHE 76 2HB PHE 76 0.782 -3.850 7.100 585 HD1 PHE 76 1HD PHE 76 0.333 -5.773 5.168 586 HD2 PHE 76 2HD PHE 76 -1.539 -1.964 5.489 587 HE1 PHE 76 1HE PHE 76 -0.130 -5.801 2.751 588 HE2 PHE 76 2HE PHE 76 -2.005 -1.986 3.073 589 HZ PHE 76 HZ PHE 76 -1.301 -3.906 1.701 590 H ALA 77 H ALA 77 -1.498 -3.691 9.762 591 HA ALA 77 HA ALA 77 0.784 -4.230 11.366 592 HB1 ALA 77 1HB ALA 77 -0.448 -2.175 11.647 593 HB2 ALA 77 2HB ALA 77 -1.899 -3.069 12.104 594 HB3 ALA 77 3HB ALA 77 -0.482 -3.090 13.154 595 H SER 78 H SER 78 -2.370 -5.703 11.049 596 HA SER 78 HA SER 78 -2.698 -7.080 13.379 597 HB2 SER 78 1HB SER 78 -4.175 -7.124 11.299 598 HB3 SER 78 2HB SER 78 -3.115 -8.397 10.694 599 HG SER 78 HG SER 78 -5.162 -8.790 12.156 600 H ILE 79 H ILE 79 -0.730 -8.127 10.607 601 HA ILE 79 HA ILE 79 0.207 -10.497 11.867 602 HB ILE 79 HB ILE 79 1.966 -10.446 10.051 603 HG12 ILE 79 1HG1 ILE 79 0.348 -8.099 9.043 604 HG13 ILE 79 2HG1 ILE 79 1.923 -7.945 9.815 605 HG21 ILE 79 1HG2 ILE 79 -0.185 -10.330 8.296 606 HG22 ILE 79 2HG2 ILE 79 0.404 -11.752 9.156 607 HG23 ILE 79 3HG2 ILE 79 -0.896 -10.781 9.845 608 HD11 ILE 79 1HD1 ILE 79 2.010 -9.856 7.664 609 HD12 ILE 79 2HD1 ILE 79 1.405 -8.293 7.114 610 HD13 ILE 79 3HD1 ILE 79 2.970 -8.400 7.921 611 H GLY 80 H GLY 80 1.472 -7.214 11.565 612 HA2 GLY 80 1HA GLY 80 2.757 -6.771 13.796 613 HA3 GLY 80 2HA GLY 80 3.845 -7.972 13.115 614 H ILE 81 H ILE 81 2.127 -5.566 11.221 615 HA ILE 81 HA ILE 81 4.723 -4.435 10.444 616 HB ILE 81 HB ILE 81 2.055 -4.214 9.046 617 HG12 ILE 81 1HG1 ILE 81 4.503 -5.821 8.285 618 HG13 ILE 81 2HG1 ILE 81 3.061 -6.497 9.034 619 HG21 ILE 81 1HG2 ILE 81 3.961 -2.396 8.842 620 HG22 ILE 81 2HG2 ILE 81 4.639 -3.580 7.727 621 HG23 ILE 81 3HG2 ILE 81 3.030 -2.919 7.439 622 HD11 ILE 81 1HD1 ILE 81 1.830 -6.335 7.130 623 HD12 ILE 81 2HD1 ILE 81 2.735 -4.945 6.529 624 HD13 ILE 81 3HD1 ILE 81 3.434 -6.561 6.433 625 H SER 82 H SER 82 5.153 -2.841 11.884 626 HA SER 82 HA SER 82 3.436 -1.186 13.229 627 HB2 SER 82 1HB SER 82 6.256 -0.894 12.300 628 HB3 SER 82 2HB SER 82 5.445 0.534 12.941 629 HG SER 82 HG SER 82 5.604 -0.273 14.872 630 H ARG 83 H ARG 83 2.193 0.532 12.776 631 HA ARG 83 HA ARG 83 1.865 1.285 10.000 632 HB2 ARG 83 1HB ARG 83 -0.051 2.599 10.819 633 HB3 ARG 83 2HB ARG 83 -0.121 0.927 11.360 634 HG2 ARG 83 1HG ARG 83 1.066 1.890 13.488 635 HG3 ARG 83 2HG ARG 83 0.365 3.409 12.925 636 HD2 ARG 83 1HD ARG 83 -1.274 2.573 14.338 637 HD3 ARG 83 2HD ARG 83 -1.829 2.062 12.744 638 HE ARG 83 HE ARG 83 -0.338 -0.035 13.642 639 HH11 ARG 83 1HH1 ARG 83 -3.062 1.745 14.880 640 HH12 ARG 83 2HH1 ARG 83 -3.716 0.395 15.746 641 HH21 ARG 83 1HH2 ARG 83 -1.190 -1.820 14.778 642 HH22 ARG 83 2HH2 ARG 83 -2.650 -1.632 15.688 643 H LEU 84 H LEU 84 3.216 2.737 9.168 644 HA LEU 84 HA LEU 84 4.393 4.801 10.837 645 HB2 LEU 84 1HB LEU 84 4.801 3.926 7.995 646 HB3 LEU 84 2HB LEU 84 5.523 5.407 8.621 647 HG LEU 84 HG LEU 84 6.579 3.906 10.414 648 HD11 LEU 84 1HD1 LEU 84 5.068 1.969 8.982 649 HD12 LEU 84 2HD1 LEU 84 6.104 1.743 10.391 650 HD13 LEU 84 3HD1 LEU 84 6.782 1.612 8.769 651 HD21 LEU 84 1HD2 LEU 84 7.918 4.930 8.721 652 HD22 LEU 84 2HD2 LEU 84 7.375 3.769 7.510 653 HD23 LEU 84 3HD2 LEU 84 8.402 3.239 8.843 654 H LEU 85 H LEU 85 2.280 4.572 7.999 655 HA LEU 85 HA LEU 85 1.761 7.447 8.143 656 HB2 LEU 85 1HB LEU 85 2.255 6.115 5.983 657 HB3 LEU 85 2HB LEU 85 0.581 5.580 6.120 658 HG LEU 85 HG LEU 85 -0.135 7.952 6.030 659 HD11 LEU 85 1HD1 LEU 85 1.982 9.268 4.887 660 HD12 LEU 85 2HD1 LEU 85 2.745 8.360 6.191 661 HD13 LEU 85 3HD1 LEU 85 1.419 9.467 6.546 662 HD21 LEU 85 1HD2 LEU 85 -0.419 7.138 3.948 663 HD22 LEU 85 2HD2 LEU 85 1.222 6.497 3.857 664 HD23 LEU 85 3HD2 LEU 85 0.927 8.212 3.567 665 H GLU 86 H GLU 86 -0.402 8.266 8.182 666 HA GLU 86 HA GLU 86 -2.278 6.449 9.543 667 HB2 GLU 86 1HB GLU 86 -2.046 9.457 9.739 668 HB3 GLU 86 2HB GLU 86 -3.256 8.480 10.559 669 HG2 GLU 86 1HG GLU 86 -0.300 8.581 11.042 670 HG3 GLU 86 2HG GLU 86 -1.613 8.930 12.165 671 HA PRO 87 HA PRO 87 -5.175 6.909 6.275 672 HB2 PRO 87 1HB PRO 87 -7.507 6.651 7.640 673 HB3 PRO 87 2HB PRO 87 -6.421 5.292 7.329 674 HG2 PRO 87 1HG PRO 87 -6.720 6.949 9.804 675 HG3 PRO 87 2HG PRO 87 -6.541 5.192 9.649 676 HD2 PRO 87 1HD PRO 87 -4.476 6.814 10.312 677 HD3 PRO 87 2HD PRO 87 -4.256 5.322 9.374 678 H SER 88 H SER 88 -6.204 8.673 9.205 679 HA SER 88 HA SER 88 -7.758 10.582 7.834 680 HB2 SER 88 1HB SER 88 -7.806 11.804 9.932 681 HB3 SER 88 2HB SER 88 -7.959 10.079 10.267 682 HG SER 88 HG SER 88 -5.556 10.211 10.536 683 H ASP 89 H ASP 89 -4.365 10.461 8.698 684 HA ASP 89 HA ASP 89 -3.627 13.108 8.369 685 HB2 ASP 89 1HB ASP 89 -2.208 10.504 7.963 686 HB3 ASP 89 2HB ASP 89 -1.418 11.997 7.463 687 H MET 90 H MET 90 -4.166 10.619 5.930 688 HA MET 90 HA MET 90 -3.174 12.033 3.713 689 HB2 MET 90 1HB MET 90 -5.403 9.991 3.759 690 HB3 MET 90 2HB MET 90 -4.457 10.466 2.355 691 HG2 MET 90 1HG MET 90 -3.086 9.357 4.759 692 HG3 MET 90 2HG MET 90 -3.897 8.277 3.628 693 HE1 MET 90 1HE MET 90 -1.061 7.454 1.459 694 HE2 MET 90 2HE MET 90 -2.053 6.923 2.818 695 HE3 MET 90 3HE MET 90 -2.821 7.501 1.338 696 H VAL 91 H VAL 91 -6.323 12.023 5.284 697 HA VAL 91 HA VAL 91 -7.641 13.575 3.287 698 HB VAL 91 HB VAL 91 -8.403 13.203 6.187 699 HG11 VAL 91 1HG1 VAL 91 -10.190 14.464 5.792 700 HG12 VAL 91 2HG1 VAL 91 -9.465 14.912 4.247 701 HG13 VAL 91 3HG1 VAL 91 -10.581 13.548 4.337 702 HG21 VAL 91 1HG2 VAL 91 -9.820 11.394 5.434 703 HG22 VAL 91 2HG2 VAL 91 -9.312 11.650 3.764 704 HG23 VAL 91 3HG2 VAL 91 -8.151 11.073 4.961 705 H LEU 92 H LEU 92 -6.365 14.359 6.519 706 HA LEU 92 HA LEU 92 -6.974 16.983 6.766 707 HB2 LEU 92 1HB LEU 92 -4.265 15.791 7.342 708 HB3 LEU 92 2HB LEU 92 -4.911 17.278 8.034 709 HG LEU 92 HG LEU 92 -6.280 14.643 8.464 710 HD11 LEU 92 1HD1 LEU 92 -4.757 13.917 9.910 711 HD12 LEU 92 2HD1 LEU 92 -4.628 15.499 10.677 712 HD13 LEU 92 3HD1 LEU 92 -3.665 15.132 9.246 713 HD21 LEU 92 1HD2 LEU 92 -6.290 17.342 9.770 714 HD22 LEU 92 2HD2 LEU 92 -6.851 15.905 10.625 715 HD23 LEU 92 3HD2 LEU 92 -7.646 16.411 9.133 716 H LEU 93 H LEU 93 -4.051 15.796 5.101 717 HA LEU 93 HA LEU 93 -3.721 18.422 3.861 718 HB2 LEU 93 1HB LEU 93 -1.552 17.522 3.090 719 HB3 LEU 93 2HB LEU 93 -1.739 17.513 4.842 720 HG LEU 93 HG LEU 93 -2.433 15.031 4.495 721 HD11 LEU 93 1HD1 LEU 93 -2.107 14.060 2.513 722 HD12 LEU 93 2HD1 LEU 93 -0.578 14.897 2.251 723 HD13 LEU 93 3HD1 LEU 93 -2.099 15.697 1.856 724 HD21 LEU 93 1HD2 LEU 93 0.361 14.943 3.992 725 HD22 LEU 93 2HD2 LEU 93 -0.489 14.762 5.527 726 HD23 LEU 93 3HD2 LEU 93 0.024 16.361 4.986 727 H ALA 94 H ALA 94 -2.844 18.266 1.507 728 HA ALA 94 HA ALA 94 -4.880 16.853 -0.023 729 HB1 ALA 94 1HB ALA 94 -3.993 18.203 -1.929 730 HB2 ALA 94 2HB ALA 94 -4.611 19.159 -0.581 731 HB3 ALA 94 3HB ALA 94 -2.872 18.960 -0.797 732 H ILE 95 H ILE 95 -1.336 17.239 -0.109 733 HA ILE 95 HA ILE 95 -1.185 14.604 -1.424 734 HB ILE 95 HB ILE 95 0.770 16.880 -1.762 735 HG12 ILE 95 1HG1 ILE 95 -1.511 17.240 -2.796 736 HG13 ILE 95 2HG1 ILE 95 -0.162 17.258 -3.927 737 HG21 ILE 95 1HG2 ILE 95 1.709 15.491 -3.546 738 HG22 ILE 95 2HG2 ILE 95 1.783 14.678 -1.984 739 HG23 ILE 95 3HG2 ILE 95 0.553 14.217 -3.160 740 HD11 ILE 95 1HD1 ILE 95 -2.173 16.028 -4.717 741 HD12 ILE 95 2HD1 ILE 95 -0.693 15.069 -4.699 742 HD13 ILE 95 3HD1 ILE 95 -1.897 14.855 -3.429 743 HA PRO 96 HA PRO 96 1.038 13.486 2.261 744 HB2 PRO 96 1HB PRO 96 1.686 10.974 1.460 745 HB3 PRO 96 2HB PRO 96 0.070 11.416 2.024 746 HG2 PRO 96 1HG PRO 96 1.082 11.118 -0.777 747 HG3 PRO 96 2HG PRO 96 -0.452 10.569 -0.077 748 HD2 PRO 96 1HD PRO 96 -0.254 12.819 -1.571 749 HD3 PRO 96 2HD PRO 96 -1.417 12.656 -0.240 750 H ASP 97 H ASP 97 3.211 12.227 2.618 751 HA ASP 97 HA ASP 97 5.206 13.563 0.943 752 HB2 ASP 97 1HB ASP 97 5.188 12.506 3.741 753 HB3 ASP 97 2HB ASP 97 6.725 12.641 2.891 754 H LYS 98 H LYS 98 5.468 12.269 -0.823 755 HA LYS 98 HA LYS 98 5.341 9.639 -1.228 756 HB2 LYS 98 1HB LYS 98 6.124 11.350 -2.886 757 HB3 LYS 98 2HB LYS 98 7.722 11.250 -2.160 758 HG2 LYS 98 1HG LYS 98 7.670 8.782 -2.692 759 HG3 LYS 98 2HG LYS 98 6.233 9.117 -3.661 760 HD2 LYS 98 1HD LYS 98 8.062 9.169 -5.160 761 HD3 LYS 98 2HD LYS 98 7.618 10.853 -4.874 762 HE2 LYS 98 1HE LYS 98 9.685 9.618 -3.127 763 HE3 LYS 98 2HE LYS 98 10.133 10.039 -4.779 764 HZ1 LYS 98 1HZ LYS 98 8.728 12.193 -3.687 765 HZ2 LYS 98 2HZ LYS 98 10.358 12.130 -4.136 766 HZ3 LYS 98 3HZ LYS 98 9.900 11.730 -2.557 767 H LEU 99 H LEU 99 8.337 11.164 -0.028 768 HA LEU 99 HA LEU 99 9.941 9.036 0.377 769 HB2 LEU 99 1HB LEU 99 10.453 10.311 2.678 770 HB3 LEU 99 2HB LEU 99 11.013 10.874 1.105 771 HG LEU 99 HG LEU 99 8.389 11.860 2.111 772 HD11 LEU 99 1HD1 LEU 99 10.696 13.487 2.895 773 HD12 LEU 99 2HD1 LEU 99 10.508 11.988 3.805 774 HD13 LEU 99 3HD1 LEU 99 9.190 13.158 3.752 775 HD21 LEU 99 1HD2 LEU 99 9.860 12.331 -0.126 776 HD22 LEU 99 2HD2 LEU 99 10.372 13.660 0.915 777 HD23 LEU 99 3HD2 LEU 99 8.662 13.440 0.542 778 H THR 100 H THR 100 7.683 10.190 2.890 779 HA THR 100 HA THR 100 8.007 8.053 4.644 780 HB THR 100 HB THR 100 5.466 9.641 4.242 781 HG1 THR 100 1HG THR 100 7.658 10.729 4.702 782 HG21 THR 100 1HG2 THR 100 6.509 7.874 6.424 783 HG22 THR 100 2HG2 THR 100 4.901 7.925 5.700 784 HG23 THR 100 3HG2 THR 100 5.412 9.201 6.805 785 H VAL 101 H VAL 101 5.273 8.554 2.401 786 HA VAL 101 HA VAL 101 3.915 6.228 2.701 787 HB VAL 101 HB VAL 101 4.509 7.585 0.067 788 HG11 VAL 101 1HG1 VAL 101 3.595 5.176 0.052 789 HG12 VAL 101 2HG1 VAL 101 2.098 5.901 0.642 790 HG13 VAL 101 3HG1 VAL 101 2.766 6.396 -0.913 791 HG21 VAL 101 1HG2 VAL 101 3.180 8.581 2.263 792 HG22 VAL 101 2HG2 VAL 101 3.002 9.147 0.602 793 HG23 VAL 101 3HG2 VAL 101 1.877 7.955 1.254 794 H MET 102 H MET 102 6.465 6.638 0.233 795 HA MET 102 HA MET 102 6.634 4.023 -0.614 796 HB2 MET 102 1HB MET 102 8.740 6.165 -0.392 797 HB3 MET 102 2HB MET 102 9.083 4.593 -1.102 798 HG2 MET 102 1HG MET 102 7.282 4.984 -2.744 799 HG3 MET 102 2HG MET 102 7.053 6.593 -2.064 800 HE1 MET 102 1HE MET 102 9.976 4.251 -3.454 801 HE2 MET 102 2HE MET 102 8.717 4.509 -4.662 802 HE3 MET 102 3HE MET 102 10.327 5.189 -4.905 803 H THR 103 H THR 103 8.287 5.544 2.125 804 HA THR 103 HA THR 103 9.948 3.452 2.877 805 HB THR 103 HB THR 103 8.523 5.371 4.731 806 HG1 THR 103 1HG THR 103 10.858 5.576 3.146 807 HG21 THR 103 1HG2 THR 103 10.974 3.647 5.076 808 HG22 THR 103 2HG2 THR 103 9.482 3.601 6.016 809 HG23 THR 103 3HG2 THR 103 10.566 4.986 6.148 810 H TYR 104 H TYR 104 6.594 4.091 3.866 811 HA TYR 104 HA TYR 104 6.327 1.929 5.627 812 HB2 TYR 104 1HB TYR 104 4.729 3.808 5.503 813 HB3 TYR 104 2HB TYR 104 4.184 3.230 3.932 814 HD1 TYR 104 2HD TYR 104 4.918 1.323 7.050 815 HD2 TYR 104 1HD TYR 104 1.973 2.576 4.246 816 HE1 TYR 104 2HE TYR 104 3.259 -0.114 8.160 817 HE2 TYR 104 1HE TYR 104 0.305 1.144 5.349 818 HH TYR 104 HH TYR 104 0.188 -0.781 6.778 819 H LEU 105 H LEU 105 5.395 2.192 2.199 820 HA LEU 105 HA LEU 105 4.327 -0.272 1.744 821 HB2 LEU 105 1HB LEU 105 5.940 1.593 0.095 822 HB3 LEU 105 2HB LEU 105 5.684 -0.034 -0.532 823 HG LEU 105 HG LEU 105 3.388 1.701 0.328 824 HD11 LEU 105 1HD1 LEU 105 4.830 2.861 -1.377 825 HD12 LEU 105 2HD1 LEU 105 3.164 2.558 -1.868 826 HD13 LEU 105 3HD1 LEU 105 4.462 1.532 -2.477 827 HD21 LEU 105 1HD2 LEU 105 3.550 -0.522 -1.700 828 HD22 LEU 105 2HD2 LEU 105 2.098 0.256 -1.070 829 HD23 LEU 105 3HD2 LEU 105 3.085 -0.756 -0.015 830 H TYR 106 H TYR 106 7.787 0.470 1.271 831 HA TYR 106 HA TYR 106 8.837 -1.921 0.679 832 HB2 TYR 106 1HB TYR 106 9.861 0.161 2.596 833 HB3 TYR 106 2HB TYR 106 10.802 -1.278 2.220 834 HD1 TYR 106 2HD TYR 106 10.621 -1.708 -0.556 835 HD2 TYR 106 1HD TYR 106 10.668 2.016 1.501 836 HE1 TYR 106 2HE TYR 106 11.500 -0.611 -2.574 837 HE2 TYR 106 1HE TYR 106 11.546 3.124 -0.512 838 HH TYR 106 HH TYR 106 11.350 2.383 -3.252 839 H GLN 107 H GLN 107 7.773 -0.949 3.906 840 HA GLN 107 HA GLN 107 8.679 -3.136 5.361 841 HB2 GLN 107 1HB GLN 107 6.093 -1.638 5.807 842 HB3 GLN 107 2HB GLN 107 6.979 -2.575 7.002 843 HG2 GLN 107 1HG GLN 107 8.376 -0.329 5.652 844 HG3 GLN 107 2HG GLN 107 7.166 0.045 6.878 845 HE21 GLN 107 1HE2 GLN 107 10.248 0.075 6.625 846 HE22 GLN 107 2HE2 GLN 107 10.764 -0.612 8.123 847 H ILE 108 H ILE 108 5.485 -2.686 3.845 848 HA ILE 108 HA ILE 108 4.505 -5.250 4.465 849 HB ILE 108 HB ILE 108 3.729 -3.419 2.192 850 HG12 ILE 108 1HG1 ILE 108 1.706 -3.223 3.930 851 HG13 ILE 108 2HG1 ILE 108 2.992 -3.600 5.071 852 HG21 ILE 108 1HG2 ILE 108 3.117 -5.916 2.052 853 HG22 ILE 108 2HG2 ILE 108 1.994 -5.561 3.364 854 HG23 ILE 108 3HG2 ILE 108 1.839 -4.724 1.819 855 HD11 ILE 108 1HD1 ILE 108 2.432 -1.136 4.535 856 HD12 ILE 108 2HD1 ILE 108 4.120 -1.637 4.643 857 HD13 ILE 108 3HD1 ILE 108 3.363 -1.423 3.065 858 H ARG 109 H ARG 109 5.715 -4.009 1.343 859 HA ARG 109 HA ARG 109 5.680 -6.413 -0.043 860 HB2 ARG 109 1HB ARG 109 6.023 -4.464 -1.316 861 HB3 ARG 109 2HB ARG 109 7.371 -3.942 -0.315 862 HG2 ARG 109 1HG ARG 109 7.649 -6.498 -1.797 863 HG3 ARG 109 2HG ARG 109 7.730 -4.989 -2.709 864 HD2 ARG 109 1HD ARG 109 9.481 -4.198 -1.135 865 HD3 ARG 109 2HD ARG 109 9.450 -5.783 -0.364 866 HE ARG 109 HE ARG 109 9.938 -6.443 -2.901 867 HH11 ARG 109 1HH1 ARG 109 11.351 -4.002 -0.861 868 HH12 ARG 109 2HH1 ARG 109 12.897 -4.060 -1.640 869 HH21 ARG 109 1HH2 ARG 109 11.969 -6.529 -3.936 870 HH22 ARG 109 2HH2 ARG 109 13.247 -5.497 -3.390 871 H ALA 110 H ALA 110 8.052 -5.138 2.199 872 HA ALA 110 HA ALA 110 10.078 -7.063 1.619 873 HB1 ALA 110 1HB ALA 110 11.015 -6.270 3.841 874 HB2 ALA 110 2HB ALA 110 10.820 -5.049 2.583 875 HB3 ALA 110 3HB ALA 110 9.651 -5.153 3.899 876 H HIS 111 H HIS 111 7.517 -6.806 4.045 877 HA HIS 111 HA HIS 111 8.219 -8.975 5.649 878 HB2 HIS 111 1HB HIS 111 6.533 -7.703 6.580 879 HB3 HIS 111 2HB HIS 111 5.662 -7.550 5.057 880 HD1 HIS 111 1HD HIS 111 5.965 -9.689 8.074 881 HD2 HIS 111 2HD HIS 111 3.955 -9.726 4.438 882 HE1 HIS 111 1HE HIS 111 4.205 -11.472 8.296 883 HE2 HIS 111 2HE HIS 111 3.058 -11.534 6.055 884 H PHE 112 H PHE 112 5.956 -8.898 2.896 885 HA PHE 112 HA PHE 112 5.536 -11.710 2.895 886 HB2 PHE 112 1HB PHE 112 4.995 -9.581 0.823 887 HB3 PHE 112 2HB PHE 112 4.538 -11.268 0.615 888 HD1 PHE 112 1HD PHE 112 3.181 -12.262 2.679 889 HD2 PHE 112 2HD PHE 112 3.409 -8.142 1.633 890 HE1 PHE 112 1HE PHE 112 1.078 -11.843 3.885 891 HE2 PHE 112 2HE PHE 112 1.307 -7.716 2.839 892 HZ PHE 112 HZ PHE 112 0.139 -9.567 3.967 893 H SER 113 H SER 113 7.466 -9.556 0.826 894 HA SER 113 HA SER 113 8.942 -11.927 -0.115 895 HB2 SER 113 1HB SER 113 7.638 -10.546 -1.825 896 HB3 SER 113 2HB SER 113 8.823 -9.271 -1.545 897 HG SER 113 HG SER 113 10.442 -10.870 -2.110 898 H SER 114 H SER 114 10.814 -12.116 0.915 899 HA SER 114 HA SER 114 12.109 -9.968 2.246 900 HB2 SER 114 1HB SER 114 13.009 -12.772 1.565 901 HB3 SER 114 2HB SER 114 13.991 -11.646 2.503 902 HG SER 114 HG SER 114 12.475 -11.659 4.104 903 H GLY 115 H GLY 115 14.587 -9.675 1.828 904 HA2 GLY 115 1HA GLY 115 14.871 -9.042 -1.041 905 HA3 GLY 115 2HA GLY 115 15.619 -8.129 0.261 906 HA PRO 116 HA PRO 116 19.311 -10.415 -0.366 907 HB2 PRO 116 1HB PRO 116 20.433 -10.182 2.095 908 HB3 PRO 116 2HB PRO 116 20.346 -8.840 0.948 909 HG2 PRO 116 1HG PRO 116 18.585 -9.447 3.291 910 HG3 PRO 116 2HG PRO 116 19.253 -7.890 2.768 911 HD2 PRO 116 1HD PRO 116 16.702 -8.631 2.243 912 HD3 PRO 116 2HD PRO 116 17.643 -7.603 1.144 913 H SER 117 H SER 117 18.812 -12.548 -0.680 914 HA SER 117 HA SER 117 17.937 -14.216 1.513 915 HB2 SER 117 1HB SER 117 18.575 -14.818 -1.381 916 HB3 SER 117 2HB SER 117 18.042 -16.040 -0.227 917 HG SER 117 HG SER 117 16.255 -14.326 0.100 918 H SER 118 H SER 118 19.730 -14.055 2.927 919 HA SER 118 HA SER 118 21.684 -14.740 3.869 920 HB2 SER 118 1HB SER 118 20.646 -16.967 2.963 921 HB3 SER 118 2HB SER 118 21.958 -16.884 1.787 922 HG SER 118 HG SER 118 23.433 -16.940 3.457 923 H GLY 119 H GLY 119 21.899 -12.662 2.040 924 HA2 GLY 119 1HA GLY 119 24.682 -12.979 1.251 925 HA3 GLY 119 2HA GLY 119 23.552 -12.647 -0.053 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -0.140 -13.587 -16.325 2 HA2 GLY 1 1HA GLY 1 -1.179 -15.918 -17.608 3 HA3 GLY 1 2HA GLY 1 -1.201 -14.531 -18.687 4 H SER 2 H SER 2 1.110 -13.230 -18.048 5 HA SER 2 HA SER 2 3.059 -14.913 -19.316 6 HB2 SER 2 1HB SER 2 2.833 -12.466 -19.784 7 HB3 SER 2 2HB SER 2 3.439 -12.141 -18.160 8 HG SER 2 HG SER 2 4.933 -13.817 -19.827 9 H SER 3 H SER 3 5.188 -15.349 -18.486 10 HA SER 3 HA SER 3 5.403 -15.316 -15.558 11 HB2 SER 3 1HB SER 3 5.770 -17.704 -17.370 12 HB3 SER 3 2HB SER 3 6.411 -17.645 -15.729 13 HG SER 3 HG SER 3 4.211 -18.585 -16.108 14 H GLY 4 H GLY 4 7.098 -14.030 -15.204 15 HA2 GLY 4 1HA GLY 4 9.669 -14.775 -16.332 16 HA3 GLY 4 2HA GLY 4 9.089 -13.178 -16.780 17 H SER 5 H SER 5 11.347 -14.297 -15.023 18 HA SER 5 HA SER 5 10.713 -12.802 -12.569 19 HB2 SER 5 1HB SER 5 12.491 -15.133 -13.149 20 HB3 SER 5 2HB SER 5 12.934 -14.045 -11.834 21 HG SER 5 HG SER 5 11.047 -14.524 -10.801 22 H SER 6 H SER 6 11.428 -10.783 -12.600 23 HA SER 6 HA SER 6 13.746 -10.068 -14.213 24 HB2 SER 6 1HB SER 6 11.556 -8.537 -12.859 25 HB3 SER 6 2HB SER 6 13.060 -7.709 -13.266 26 HG SER 6 HG SER 6 11.021 -8.444 -14.879 27 H GLY 7 H GLY 7 12.658 -9.641 -10.843 28 HA2 GLY 7 1HA GLY 7 14.384 -10.365 -9.164 29 HA3 GLY 7 2HA GLY 7 15.499 -9.363 -10.082 30 HA PRO 8 HA PRO 8 13.122 -6.985 -6.678 31 HB2 PRO 8 1HB PRO 8 15.005 -7.011 -4.722 32 HB3 PRO 8 2HB PRO 8 13.740 -8.238 -4.854 33 HG2 PRO 8 1HG PRO 8 16.596 -8.360 -5.741 34 HG3 PRO 8 2HG PRO 8 15.628 -9.595 -4.914 35 HD2 PRO 8 1HD PRO 8 16.098 -9.655 -7.580 36 HD3 PRO 8 2HD PRO 8 14.594 -10.267 -6.862 37 H ASN 9 H ASN 9 13.369 -5.120 -7.863 38 HA ASN 9 HA ASN 9 15.968 -3.943 -8.284 39 HB2 ASN 9 1HB ASN 9 13.772 -3.821 -9.764 40 HB3 ASN 9 2HB ASN 9 13.444 -2.417 -8.753 41 HD21 ASN 9 1HD2 ASN 9 14.393 -0.549 -9.235 42 HD22 ASN 9 2HD2 ASN 9 15.631 -0.338 -10.423 43 H ALA 10 H ALA 10 15.763 -1.324 -7.916 44 HA ALA 10 HA ALA 10 15.710 -1.082 -5.017 45 HB1 ALA 10 1HB ALA 10 16.598 1.280 -5.651 46 HB2 ALA 10 2HB ALA 10 17.646 -0.127 -5.834 47 HB3 ALA 10 3HB ALA 10 16.839 0.560 -7.243 48 H SER 11 H SER 11 14.532 0.941 -7.715 49 HA SER 11 HA SER 11 12.444 1.983 -5.946 50 HB2 SER 11 1HB SER 11 12.151 3.743 -7.628 51 HB3 SER 11 2HB SER 11 13.843 3.626 -7.143 52 HG SER 11 HG SER 11 14.184 2.361 -9.049 53 H GLN 12 H GLN 12 12.475 1.415 -9.455 54 HA GLN 12 HA GLN 12 9.859 1.028 -9.935 55 HB2 GLN 12 1HB GLN 12 10.421 -0.180 -11.873 56 HB3 GLN 12 2HB GLN 12 11.822 0.835 -11.560 57 HG2 GLN 12 1HG GLN 12 12.872 -1.131 -10.416 58 HG3 GLN 12 2HG GLN 12 11.528 -2.104 -11.012 59 HE21 GLN 12 1HE2 GLN 12 11.600 -2.872 -13.032 60 HE22 GLN 12 2HE2 GLN 12 12.833 -2.507 -14.185 61 H SER 13 H SER 13 11.960 -1.187 -8.252 62 HA SER 13 HA SER 13 10.620 -3.568 -8.362 63 HB2 SER 13 1HB SER 13 12.651 -3.512 -7.143 64 HB3 SER 13 2HB SER 13 12.062 -2.246 -6.065 65 HG SER 13 HG SER 13 11.511 -4.990 -6.070 66 H LEU 14 H LEU 14 9.958 -0.898 -6.103 67 HA LEU 14 HA LEU 14 7.757 -2.137 -4.842 68 HB2 LEU 14 1HB LEU 14 9.158 -0.113 -4.098 69 HB3 LEU 14 2HB LEU 14 8.077 0.832 -5.119 70 HG LEU 14 HG LEU 14 6.170 0.109 -3.757 71 HD11 LEU 14 1HD1 LEU 14 6.822 -2.019 -2.971 72 HD12 LEU 14 2HD1 LEU 14 6.714 -0.985 -1.547 73 HD13 LEU 14 3HD1 LEU 14 8.290 -1.380 -2.232 74 HD21 LEU 14 1HD2 LEU 14 7.986 2.024 -3.165 75 HD22 LEU 14 2HD2 LEU 14 8.009 1.078 -1.676 76 HD23 LEU 14 3HD2 LEU 14 6.492 1.761 -2.264 77 H LEU 15 H LEU 15 7.791 0.535 -7.211 78 HA LEU 15 HA LEU 15 5.082 0.720 -7.668 79 HB2 LEU 15 1HB LEU 15 7.045 2.121 -8.583 80 HB3 LEU 15 2HB LEU 15 7.055 0.962 -9.911 81 HG LEU 15 HG LEU 15 4.492 1.632 -10.027 82 HD11 LEU 15 1HD1 LEU 15 5.633 4.266 -9.208 83 HD12 LEU 15 2HD1 LEU 15 4.973 3.177 -7.988 84 HD13 LEU 15 3HD1 LEU 15 3.949 3.750 -9.304 85 HD21 LEU 15 1HD2 LEU 15 5.481 3.695 -11.452 86 HD22 LEU 15 2HD2 LEU 15 5.516 2.018 -11.998 87 HD23 LEU 15 3HD2 LEU 15 6.942 2.730 -11.241 88 H VAL 16 H VAL 16 7.307 -1.716 -8.746 89 HA VAL 16 HA VAL 16 5.453 -2.820 -10.687 90 HB VAL 16 HB VAL 16 8.117 -3.871 -9.722 91 HG11 VAL 16 1HG1 VAL 16 6.743 -5.674 -10.559 92 HG12 VAL 16 2HG1 VAL 16 6.361 -4.749 -12.013 93 HG13 VAL 16 3HG1 VAL 16 8.011 -5.307 -11.729 94 HG21 VAL 16 1HG2 VAL 16 7.603 -1.667 -11.308 95 HG22 VAL 16 2HG2 VAL 16 9.124 -2.556 -11.219 96 HG23 VAL 16 3HG2 VAL 16 7.945 -2.948 -12.471 97 H TRP 17 H TRP 17 6.692 -3.576 -7.473 98 HA TRP 17 HA TRP 17 5.592 -6.136 -7.198 99 HB2 TRP 17 1HB TRP 17 7.266 -5.199 -5.651 100 HB3 TRP 17 2HB TRP 17 6.065 -4.060 -5.048 101 HD1 TRP 17 HD TRP 17 6.930 -7.802 -4.981 102 HE1 TRP 17 1HE TRP 17 5.708 -8.884 -2.990 103 HE3 TRP 17 3HE TRP 17 4.083 -3.818 -3.514 104 HZ2 TRP 17 2HZ TRP 17 3.791 -8.146 -1.055 105 HZ3 TRP 17 3HZ TRP 17 2.581 -4.088 -1.584 106 HH2 TRP 17 HH TRP 17 2.439 -6.209 -0.382 107 H CYS 18 H CYS 18 4.254 -2.951 -6.386 108 HA CYS 18 HA CYS 18 1.812 -3.959 -5.342 109 HB2 CYS 18 1HB CYS 18 1.047 -1.536 -5.764 110 HB3 CYS 18 2HB CYS 18 2.364 -1.794 -4.627 111 HG CYS 18 HG CYS 18 2.882 -0.917 -7.891 112 H LYS 19 H LYS 19 2.778 -2.708 -8.509 113 HA LYS 19 HA LYS 19 0.200 -2.856 -9.680 114 HB2 LYS 19 1HB LYS 19 2.984 -2.705 -10.818 115 HB3 LYS 19 2HB LYS 19 1.569 -2.836 -11.855 116 HG2 LYS 19 1HG LYS 19 0.737 -0.749 -11.163 117 HG3 LYS 19 2HG LYS 19 1.844 -0.676 -9.790 118 HD2 LYS 19 1HD LYS 19 2.926 0.720 -11.245 119 HD3 LYS 19 2HD LYS 19 3.665 -0.818 -11.696 120 HE2 LYS 19 1HE LYS 19 3.055 0.288 -13.711 121 HE3 LYS 19 2HE LYS 19 1.909 -1.031 -13.473 122 HZ1 LYS 19 1HZ LYS 19 1.450 1.853 -12.950 123 HZ2 LYS 19 2HZ LYS 19 0.374 0.633 -12.489 124 HZ3 LYS 19 3HZ LYS 19 0.703 0.895 -14.128 125 H GLU 20 H GLU 20 2.601 -5.210 -8.983 126 HA GLU 20 HA GLU 20 1.852 -7.120 -10.968 127 HB2 GLU 20 1HB GLU 20 4.049 -6.971 -9.613 128 HB3 GLU 20 2HB GLU 20 3.160 -7.812 -8.351 129 HG2 GLU 20 1HG GLU 20 2.599 -9.451 -10.351 130 HG3 GLU 20 2HG GLU 20 4.105 -8.788 -10.984 131 H VAL 21 H VAL 21 1.288 -6.976 -7.448 132 HA VAL 21 HA VAL 21 -0.518 -9.160 -7.414 133 HB VAL 21 HB VAL 21 -0.848 -8.725 -5.154 134 HG11 VAL 21 1HG1 VAL 21 1.714 -8.628 -6.151 135 HG12 VAL 21 2HG1 VAL 21 1.663 -7.257 -5.042 136 HG13 VAL 21 3HG1 VAL 21 1.270 -8.876 -4.463 137 HG21 VAL 21 1HG2 VAL 21 -1.795 -6.620 -5.027 138 HG22 VAL 21 2HG2 VAL 21 -0.241 -6.370 -4.231 139 HG23 VAL 21 3HG2 VAL 21 -0.468 -5.856 -5.903 140 H THR 22 H THR 22 -0.876 -5.802 -8.137 141 HA THR 22 HA THR 22 -3.801 -5.997 -7.973 142 HB THR 22 HB THR 22 -3.826 -3.556 -8.237 143 HG1 THR 22 1HG THR 22 -1.060 -3.972 -8.602 144 HG21 THR 22 1HG2 THR 22 -3.612 -4.583 -5.982 145 HG22 THR 22 2HG2 THR 22 -2.906 -2.970 -6.085 146 HG23 THR 22 3HG2 THR 22 -1.863 -4.392 -6.101 147 H LYS 23 H LYS 23 -2.256 -7.307 -10.066 148 HA LYS 23 HA LYS 23 -2.555 -5.756 -12.467 149 HB2 LYS 23 1HB LYS 23 -1.619 -8.492 -11.777 150 HB3 LYS 23 2HB LYS 23 -2.196 -8.233 -13.418 151 HG2 LYS 23 1HG LYS 23 -0.593 -6.187 -13.375 152 HG3 LYS 23 2HG LYS 23 0.165 -7.046 -12.033 153 HD2 LYS 23 1HD LYS 23 1.369 -7.890 -13.792 154 HD3 LYS 23 2HD LYS 23 0.063 -9.074 -13.710 155 HE2 LYS 23 1HE LYS 23 -0.984 -8.243 -15.594 156 HE3 LYS 23 2HE LYS 23 -0.243 -6.652 -15.430 157 HZ1 LYS 23 1HZ LYS 23 1.338 -9.067 -16.083 158 HZ2 LYS 23 2HZ LYS 23 1.787 -7.445 -16.257 159 HZ3 LYS 23 3HZ LYS 23 0.616 -8.113 -17.279 160 H ASN 24 H ASN 24 -4.341 -8.329 -10.849 161 HA ASN 24 HA ASN 24 -6.397 -8.208 -12.940 162 HB2 ASN 24 1HB ASN 24 -6.014 -10.219 -10.711 163 HB3 ASN 24 2HB ASN 24 -7.260 -10.295 -11.953 164 HD21 ASN 24 1HD2 ASN 24 -3.771 -10.265 -11.453 165 HD22 ASN 24 2HD2 ASN 24 -3.383 -11.207 -12.849 166 H TYR 25 H TYR 25 -6.179 -6.035 -11.162 167 HA TYR 25 HA TYR 25 -8.523 -6.385 -9.419 168 HB2 TYR 25 1HB TYR 25 -6.085 -4.669 -9.242 169 HB3 TYR 25 2HB TYR 25 -7.580 -4.079 -8.525 170 HD1 TYR 25 2HD TYR 25 -5.496 -7.183 -8.592 171 HD2 TYR 25 1HD TYR 25 -7.987 -4.594 -6.313 172 HE1 TYR 25 2HE TYR 25 -5.061 -8.539 -6.587 173 HE2 TYR 25 1HE TYR 25 -7.558 -5.942 -4.301 174 HH TYR 25 HH TYR 25 -5.210 -7.806 -3.803 175 H ARG 26 H ARG 26 -9.594 -4.067 -9.071 176 HA ARG 26 HA ARG 26 -10.092 -2.948 -11.752 177 HB2 ARG 26 1HB ARG 26 -11.980 -4.322 -10.943 178 HB3 ARG 26 2HB ARG 26 -12.094 -3.303 -9.514 179 HG2 ARG 26 1HG ARG 26 -12.879 -1.475 -10.734 180 HG3 ARG 26 2HG ARG 26 -12.339 -2.156 -12.270 181 HD2 ARG 26 1HD ARG 26 -14.338 -3.681 -10.685 182 HD3 ARG 26 2HD ARG 26 -14.879 -2.225 -11.520 183 HE ARG 26 HE ARG 26 -14.078 -4.728 -12.718 184 HH11 ARG 26 1HH1 ARG 26 -14.620 -1.323 -13.200 185 HH12 ARG 26 2HH1 ARG 26 -14.851 -1.470 -14.911 186 HH21 ARG 26 1HH2 ARG 26 -14.382 -4.934 -14.969 187 HH22 ARG 26 2HH2 ARG 26 -14.717 -3.524 -15.916 188 H GLY 27 H GLY 27 -9.333 -0.943 -11.867 189 HA2 GLY 27 1HA GLY 27 -9.190 1.318 -11.366 190 HA3 GLY 27 2HA GLY 27 -10.095 1.016 -9.890 191 H VAL 28 H VAL 28 -7.013 -0.315 -11.065 192 HA VAL 28 HA VAL 28 -5.689 0.897 -8.732 193 HB VAL 28 HB VAL 28 -5.244 -1.926 -9.715 194 HG11 VAL 28 1HG1 VAL 28 -3.742 -0.141 -7.924 195 HG12 VAL 28 2HG1 VAL 28 -4.022 -1.770 -7.305 196 HG13 VAL 28 3HG1 VAL 28 -3.201 -1.541 -8.850 197 HG21 VAL 28 1HG2 VAL 28 -7.340 -1.757 -8.524 198 HG22 VAL 28 2HG2 VAL 28 -6.154 -2.581 -7.512 199 HG23 VAL 28 3HG2 VAL 28 -6.555 -0.892 -7.203 200 H LYS 29 H LYS 29 -4.731 2.490 -9.986 201 HA LYS 29 HA LYS 29 -2.725 1.529 -11.921 202 HB2 LYS 29 1HB LYS 29 -4.426 2.755 -13.110 203 HB3 LYS 29 2HB LYS 29 -4.342 4.081 -11.959 204 HG2 LYS 29 1HG LYS 29 -2.111 4.635 -12.703 205 HG3 LYS 29 2HG LYS 29 -2.104 3.247 -13.793 206 HD2 LYS 29 1HD LYS 29 -3.512 4.243 -15.293 207 HD3 LYS 29 2HD LYS 29 -4.318 5.213 -14.058 208 HE2 LYS 29 1HE LYS 29 -1.453 5.752 -14.680 209 HE3 LYS 29 2HE LYS 29 -2.689 6.315 -15.804 210 HZ1 LYS 29 1HZ LYS 29 -2.314 8.066 -14.304 211 HZ2 LYS 29 2HZ LYS 29 -2.355 7.048 -12.955 212 HZ3 LYS 29 3HZ LYS 29 -3.776 7.371 -13.813 213 H ILE 30 H ILE 30 -1.122 1.379 -10.317 214 HA ILE 30 HA ILE 30 -0.463 3.557 -8.600 215 HB ILE 30 HB ILE 30 1.236 1.189 -9.393 216 HG12 ILE 30 1HG1 ILE 30 0.440 0.605 -6.910 217 HG13 ILE 30 2HG1 ILE 30 -0.943 1.577 -7.401 218 HG21 ILE 30 1HG2 ILE 30 1.900 2.014 -6.824 219 HG22 ILE 30 2HG2 ILE 30 2.853 2.245 -8.289 220 HG23 ILE 30 3HG2 ILE 30 1.748 3.508 -7.748 221 HD11 ILE 30 1HD1 ILE 30 -1.790 -0.182 -8.428 222 HD12 ILE 30 2HD1 ILE 30 -0.388 -0.233 -9.497 223 HD13 ILE 30 3HD1 ILE 30 -0.377 -1.138 -7.984 224 H THR 31 H THR 31 -0.322 5.312 -10.105 225 HA THR 31 HA THR 31 1.880 5.277 -12.010 226 HB THR 31 HB THR 31 -0.265 6.287 -12.689 227 HG1 THR 31 1HG THR 31 0.737 7.889 -13.757 228 HG21 THR 31 1HG2 THR 31 -1.127 8.261 -11.712 229 HG22 THR 31 2HG2 THR 31 0.330 8.514 -10.752 230 HG23 THR 31 3HG2 THR 31 -0.762 7.185 -10.364 231 H ASN 32 H ASN 32 1.091 6.550 -8.875 232 HA ASN 32 HA ASN 32 3.810 7.607 -8.655 233 HB2 ASN 32 1HB ASN 32 1.465 9.183 -7.602 234 HB3 ASN 32 2HB ASN 32 3.139 9.703 -7.774 235 HD21 ASN 32 1HD2 ASN 32 0.445 10.622 -8.852 236 HD22 ASN 32 2HD2 ASN 32 0.734 10.838 -10.542 237 H PHE 33 H PHE 33 4.091 8.383 -6.228 238 HA PHE 33 HA PHE 33 2.958 6.261 -4.526 239 HB2 PHE 33 1HB PHE 33 5.729 7.402 -4.682 240 HB3 PHE 33 2HB PHE 33 5.151 6.692 -3.178 241 HD1 PHE 33 2HD PHE 33 4.011 4.310 -3.495 242 HD2 PHE 33 1HD PHE 33 6.860 6.046 -6.138 243 HE1 PHE 33 2HE PHE 33 4.600 2.070 -4.327 244 HE2 PHE 33 1HE PHE 33 7.453 3.809 -6.974 245 HZ PHE 33 HZ PHE 33 6.323 1.818 -6.068 246 H THR 34 H THR 34 1.834 8.887 -4.971 247 HA THR 34 HA THR 34 2.012 9.927 -2.221 248 HB THR 34 HB THR 34 1.445 12.201 -3.260 249 HG1 THR 34 1HG THR 34 2.715 11.181 -5.566 250 HG21 THR 34 1HG2 THR 34 4.099 11.920 -4.230 251 HG22 THR 34 2HG2 THR 34 3.926 10.875 -2.820 252 HG23 THR 34 3HG2 THR 34 3.562 12.596 -2.694 253 H THR 35 H THR 35 0.012 10.671 -5.072 254 HA THR 35 HA THR 35 -2.368 10.772 -3.469 255 HB THR 35 HB THR 35 -3.540 11.210 -5.599 256 HG1 THR 35 1HG THR 35 -2.315 9.983 -7.033 257 HG21 THR 35 1HG2 THR 35 -1.048 12.876 -5.629 258 HG22 THR 35 2HG2 THR 35 -2.162 12.956 -4.263 259 HG23 THR 35 3HG2 THR 35 -2.722 13.369 -5.883 260 H SER 36 H SER 36 -1.221 8.668 -6.104 261 HA SER 36 HA SER 36 -3.250 6.951 -6.479 262 HB2 SER 36 1HB SER 36 -0.301 6.412 -6.244 263 HB3 SER 36 2HB SER 36 -1.428 5.100 -6.587 264 HG SER 36 HG SER 36 -0.884 7.406 -8.126 265 H TRP 37 H TRP 37 -1.230 7.106 -3.617 266 HA TRP 37 HA TRP 37 -2.701 4.865 -2.426 267 HB2 TRP 37 1HB TRP 37 -0.302 6.297 -1.278 268 HB3 TRP 37 2HB TRP 37 -0.961 4.740 -0.784 269 HD1 TRP 37 HD TRP 37 1.038 6.360 -3.644 270 HE1 TRP 37 1HE TRP 37 2.308 4.504 -4.896 271 HE3 TRP 37 3HE TRP 37 -0.939 2.282 -1.277 272 HZ2 TRP 37 2HZ TRP 37 2.453 1.685 -4.883 273 HZ3 TRP 37 3HZ TRP 37 -0.182 0.042 -1.956 274 HH2 TRP 37 HH TRP 37 1.479 -0.248 -3.722 275 H ARG 38 H ARG 38 -2.264 8.299 -2.236 276 HA ARG 38 HA ARG 38 -2.930 9.100 0.222 277 HB2 ARG 38 1HB ARG 38 -2.754 10.777 -1.418 278 HB3 ARG 38 2HB ARG 38 -4.007 10.054 -2.417 279 HG2 ARG 38 1HG ARG 38 -5.711 10.926 -1.158 280 HG3 ARG 38 2HG ARG 38 -4.722 11.038 0.299 281 HD2 ARG 38 1HD ARG 38 -3.533 12.925 -0.583 282 HD3 ARG 38 2HD ARG 38 -4.322 12.747 -2.150 283 HE ARG 38 HE ARG 38 -5.405 13.990 0.211 284 HH11 ARG 38 1HH1 ARG 38 -6.137 12.462 -2.830 285 HH12 ARG 38 2HH1 ARG 38 -7.687 13.219 -2.986 286 HH21 ARG 38 1HH2 ARG 38 -7.444 14.993 0.017 287 HH22 ARG 38 2HH2 ARG 38 -8.429 14.659 -1.367 288 H ASN 39 H ASN 39 -5.299 7.865 -2.125 289 HA ASN 39 HA ASN 39 -7.535 8.077 -0.410 290 HB2 ASN 39 1HB ASN 39 -8.429 6.234 -2.057 291 HB3 ASN 39 2HB ASN 39 -8.156 7.877 -2.630 292 HD21 ASN 39 1HD2 ASN 39 -8.037 6.894 -4.735 293 HD22 ASN 39 2HD2 ASN 39 -6.554 6.184 -5.264 294 H GLY 40 H GLY 40 -5.576 5.243 -1.341 295 HA2 GLY 40 1HA GLY 40 -4.841 3.723 0.424 296 HA3 GLY 40 2HA GLY 40 -6.388 3.997 1.211 297 H LEU 41 H LEU 41 -5.885 3.408 -2.229 298 HA LEU 41 HA LEU 41 -7.734 1.174 -2.091 299 HB2 LEU 41 1HB LEU 41 -6.435 2.661 -4.355 300 HB3 LEU 41 2HB LEU 41 -7.379 1.195 -4.613 301 HG LEU 41 HG LEU 41 -8.388 3.806 -3.487 302 HD11 LEU 41 1HD1 LEU 41 -9.754 3.827 -5.540 303 HD12 LEU 41 2HD1 LEU 41 -8.890 2.396 -6.104 304 HD13 LEU 41 3HD1 LEU 41 -8.023 3.914 -5.870 305 HD21 LEU 41 1HD2 LEU 41 -10.613 2.682 -3.645 306 HD22 LEU 41 2HD2 LEU 41 -9.554 2.034 -2.392 307 HD23 LEU 41 3HD2 LEU 41 -9.763 1.159 -3.909 308 H SER 42 H SER 42 -4.541 1.686 -3.604 309 HA SER 42 HA SER 42 -3.951 -0.956 -4.157 310 HB2 SER 42 1HB SER 42 -2.062 1.280 -3.388 311 HB3 SER 42 2HB SER 42 -1.556 -0.254 -4.095 312 HG SER 42 HG SER 42 -3.317 1.628 -5.287 313 H PHE 43 H PHE 43 -3.530 0.835 -1.154 314 HA PHE 43 HA PHE 43 -1.977 -1.001 0.255 315 HB2 PHE 43 1HB PHE 43 -3.917 1.134 1.043 316 HB3 PHE 43 2HB PHE 43 -3.328 0.026 2.278 317 HD1 PHE 43 2HD PHE 43 -0.593 -0.383 1.811 318 HD2 PHE 43 1HD PHE 43 -2.860 3.157 1.145 319 HE1 PHE 43 2HE PHE 43 1.451 0.966 2.047 320 HE2 PHE 43 1HE PHE 43 -0.819 4.512 1.379 321 HZ PHE 43 HZ PHE 43 1.340 3.416 1.832 322 H CYS 44 H CYS 44 -5.504 -0.758 -0.036 323 HA CYS 44 HA CYS 44 -5.986 -3.038 1.630 324 HB2 CYS 44 1HB CYS 44 -7.716 -1.342 -0.155 325 HB3 CYS 44 2HB CYS 44 -8.342 -2.805 0.596 326 HG CYS 44 HG CYS 44 -7.821 0.204 1.919 327 H ALA 45 H ALA 45 -5.932 -2.427 -1.853 328 HA ALA 45 HA ALA 45 -6.868 -4.894 -2.745 329 HB1 ALA 45 1HB ALA 45 -6.529 -3.973 -4.737 330 HB2 ALA 45 2HB ALA 45 -5.816 -2.586 -3.912 331 HB3 ALA 45 3HB ALA 45 -4.786 -3.905 -4.469 332 H ILE 46 H ILE 46 -3.456 -3.871 -2.484 333 HA ILE 46 HA ILE 46 -2.165 -6.168 -3.114 334 HB ILE 46 HB ILE 46 -1.471 -4.288 -0.857 335 HG12 ILE 46 1HG1 ILE 46 -0.277 -4.444 -3.624 336 HG13 ILE 46 2HG1 ILE 46 -1.648 -3.408 -3.241 337 HG21 ILE 46 1HG2 ILE 46 0.897 -5.243 -1.473 338 HG22 ILE 46 2HG2 ILE 46 -0.144 -6.077 -0.321 339 HG23 ILE 46 3HG2 ILE 46 -0.043 -6.643 -1.988 340 HD11 ILE 46 1HD1 ILE 46 1.194 -3.084 -2.625 341 HD12 ILE 46 2HD1 ILE 46 -0.071 -1.875 -2.849 342 HD13 ILE 46 3HD1 ILE 46 0.098 -2.698 -1.299 343 H LEU 47 H LEU 47 -3.256 -5.358 0.185 344 HA LEU 47 HA LEU 47 -2.549 -7.785 1.375 345 HB2 LEU 47 1HB LEU 47 -3.138 -5.759 2.622 346 HB3 LEU 47 2HB LEU 47 -4.812 -5.929 2.101 347 HG LEU 47 HG LEU 47 -4.829 -8.144 3.330 348 HD11 LEU 47 1HD1 LEU 47 -2.085 -7.297 3.815 349 HD12 LEU 47 2HD1 LEU 47 -2.827 -8.889 3.971 350 HD13 LEU 47 3HD1 LEU 47 -2.956 -7.723 5.288 351 HD21 LEU 47 1HD2 LEU 47 -5.487 -7.138 5.321 352 HD22 LEU 47 2HD2 LEU 47 -5.707 -5.858 4.127 353 HD23 LEU 47 3HD2 LEU 47 -4.291 -5.849 5.180 354 H HIS 48 H HIS 48 -5.465 -6.821 -0.344 355 HA HIS 48 HA HIS 48 -7.018 -9.093 0.305 356 HB2 HIS 48 1HB HIS 48 -7.739 -6.827 -0.743 357 HB3 HIS 48 2HB HIS 48 -7.323 -7.586 -2.277 358 HD1 HIS 48 1HD HIS 48 -8.824 -9.556 -3.068 359 HD2 HIS 48 2HD HIS 48 -10.088 -7.734 0.445 360 HE1 HIS 48 1HE HIS 48 -11.170 -10.379 -2.691 361 HE2 HIS 48 2HE HIS 48 -11.944 -9.197 -0.606 362 H HIS 49 H HIS 49 -4.589 -8.469 -2.122 363 HA HIS 49 HA HIS 49 -5.113 -10.514 -3.931 364 HB2 HIS 49 1HB HIS 49 -3.387 -8.676 -4.150 365 HB3 HIS 49 2HB HIS 49 -2.348 -9.629 -3.096 366 HD1 HIS 49 1HD HIS 49 -4.361 -10.436 -6.235 367 HD2 HIS 49 2HD HIS 49 -0.578 -10.984 -4.605 368 HE1 HIS 49 1HE HIS 49 -3.072 -11.747 -7.952 369 HE2 HIS 49 2HE HIS 49 -0.814 -12.139 -6.907 370 H PHE 50 H PHE 50 -3.191 -10.586 -0.950 371 HA PHE 50 HA PHE 50 -2.476 -13.336 -1.218 372 HB2 PHE 50 1HB PHE 50 -2.464 -11.649 1.291 373 HB3 PHE 50 2HB PHE 50 -1.558 -13.132 1.011 374 HD1 PHE 50 2HD PHE 50 -1.855 -9.581 0.079 375 HD2 PHE 50 1HD PHE 50 0.509 -13.114 -0.144 376 HE1 PHE 50 2HE PHE 50 0.036 -8.259 -0.776 377 HE2 PHE 50 1HE PHE 50 2.403 -11.797 -0.998 378 HZ PHE 50 HZ PHE 50 2.168 -9.366 -1.316 379 H ARG 51 H ARG 51 -4.784 -11.610 0.873 380 HA ARG 51 HA ARG 51 -6.402 -14.051 0.988 381 HB2 ARG 51 1HB ARG 51 -5.121 -12.653 3.267 382 HB3 ARG 51 2HB ARG 51 -6.788 -13.161 3.499 383 HG2 ARG 51 1HG ARG 51 -4.888 -15.149 2.392 384 HG3 ARG 51 2HG ARG 51 -4.737 -14.720 4.097 385 HD2 ARG 51 1HD ARG 51 -6.183 -16.628 3.906 386 HD3 ARG 51 2HD ARG 51 -7.146 -15.231 4.386 387 HE ARG 51 HE ARG 51 -8.240 -15.310 2.356 388 HH11 ARG 51 1HH1 ARG 51 -5.533 -17.499 2.349 389 HH12 ARG 51 2HH1 ARG 51 -6.008 -18.288 0.880 390 HH21 ARG 51 1HH2 ARG 51 -8.875 -16.340 0.423 391 HH22 ARG 51 2HH2 ARG 51 -7.909 -17.627 -0.215 392 HA PRO 52 HA PRO 52 -9.241 -10.722 -0.111 393 HB2 PRO 52 1HB PRO 52 -11.199 -12.388 -0.984 394 HB3 PRO 52 2HB PRO 52 -9.795 -11.957 -1.967 395 HG2 PRO 52 1HG PRO 52 -10.285 -14.423 -0.342 396 HG3 PRO 52 2HG PRO 52 -9.597 -14.274 -1.969 397 HD2 PRO 52 1HD PRO 52 -8.064 -14.633 0.234 398 HD3 PRO 52 2HD PRO 52 -7.512 -13.699 -1.172 399 H ASP 53 H ASP 53 -9.200 -12.860 2.402 400 HA ASP 53 HA ASP 53 -11.877 -12.094 3.353 401 HB2 ASP 53 1HB ASP 53 -11.083 -14.575 3.197 402 HB3 ASP 53 2HB ASP 53 -10.185 -14.197 4.665 403 H LEU 54 H LEU 54 -9.720 -10.246 3.415 404 HA LEU 54 HA LEU 54 -9.384 -9.959 6.326 405 HB2 LEU 54 1HB LEU 54 -7.399 -9.448 4.130 406 HB3 LEU 54 2HB LEU 54 -7.240 -8.718 5.726 407 HG LEU 54 HG LEU 54 -7.239 -11.678 5.136 408 HD11 LEU 54 1HD1 LEU 54 -4.838 -11.309 6.090 409 HD12 LEU 54 2HD1 LEU 54 -5.082 -9.656 5.527 410 HD13 LEU 54 3HD1 LEU 54 -5.176 -10.998 4.387 411 HD21 LEU 54 1HD2 LEU 54 -6.198 -10.964 7.696 412 HD22 LEU 54 2HD2 LEU 54 -7.561 -12.014 7.304 413 HD23 LEU 54 3HD2 LEU 54 -7.815 -10.281 7.519 414 H ILE 55 H ILE 55 -9.606 -8.316 3.202 415 HA ILE 55 HA ILE 55 -10.561 -5.915 4.620 416 HB ILE 55 HB ILE 55 -9.574 -5.681 1.828 417 HG12 ILE 55 1HG1 ILE 55 -7.272 -5.170 3.097 418 HG13 ILE 55 2HG1 ILE 55 -7.895 -6.418 4.171 419 HG21 ILE 55 1HG2 ILE 55 -9.917 -3.552 2.358 420 HG22 ILE 55 2HG2 ILE 55 -10.226 -3.975 4.041 421 HG23 ILE 55 3HG2 ILE 55 -8.577 -3.664 3.498 422 HD11 ILE 55 1HD1 ILE 55 -7.125 -7.946 2.778 423 HD12 ILE 55 2HD1 ILE 55 -8.238 -7.359 1.542 424 HD13 ILE 55 3HD1 ILE 55 -6.608 -6.694 1.649 425 H ASP 56 H ASP 56 -11.978 -4.517 3.136 426 HA ASP 56 HA ASP 56 -13.954 -6.286 1.865 427 HB2 ASP 56 1HB ASP 56 -14.270 -3.535 3.083 428 HB3 ASP 56 2HB ASP 56 -15.555 -4.406 2.249 429 H TYR 57 H TYR 57 -11.496 -5.137 0.633 430 HA TYR 57 HA TYR 57 -11.943 -2.996 -1.037 431 HB2 TYR 57 1HB TYR 57 -9.796 -4.285 -0.771 432 HB3 TYR 57 2HB TYR 57 -10.463 -5.502 -1.853 433 HD1 TYR 57 2HD TYR 57 -11.294 -4.609 -4.173 434 HD2 TYR 57 1HD TYR 57 -8.548 -2.547 -1.661 435 HE1 TYR 57 2HE TYR 57 -10.484 -3.334 -6.115 436 HE2 TYR 57 1HE TYR 57 -7.731 -1.266 -3.595 437 HH TYR 57 HH TYR 57 -8.760 -0.572 -5.910 438 H LYS 58 H LYS 58 -13.329 -6.152 -1.170 439 HA LYS 58 HA LYS 58 -14.027 -6.356 -3.860 440 HB2 LYS 58 1HB LYS 58 -15.682 -7.951 -3.178 441 HB3 LYS 58 2HB LYS 58 -14.284 -8.146 -2.129 442 HG2 LYS 58 1HG LYS 58 -15.380 -7.035 -0.332 443 HG3 LYS 58 2HG LYS 58 -16.716 -6.544 -1.376 444 HD2 LYS 58 1HD LYS 58 -17.400 -8.849 -1.646 445 HD3 LYS 58 2HD LYS 58 -16.002 -9.403 -0.720 446 HE2 LYS 58 1HE LYS 58 -16.887 -8.720 1.282 447 HE3 LYS 58 2HE LYS 58 -17.859 -7.448 0.542 448 HZ1 LYS 58 1HZ LYS 58 -19.065 -9.509 -0.509 449 HZ2 LYS 58 2HZ LYS 58 -19.470 -8.955 1.036 450 HZ3 LYS 58 3HZ LYS 58 -18.455 -10.296 0.859 451 H SER 59 H SER 59 -15.380 -4.413 -1.310 452 HA SER 59 HA SER 59 -17.269 -3.268 -3.253 453 HB2 SER 59 1HB SER 59 -18.333 -4.803 -1.478 454 HB3 SER 59 2HB SER 59 -17.948 -3.523 -0.328 455 HG SER 59 HG SER 59 -19.875 -2.881 -0.984 456 H LEU 60 H LEU 60 -14.653 -2.350 -2.580 457 HA LEU 60 HA LEU 60 -15.136 0.001 -0.904 458 HB2 LEU 60 1HB LEU 60 -12.679 -1.374 -1.915 459 HB3 LEU 60 2HB LEU 60 -12.598 0.296 -1.358 460 HG LEU 60 HG LEU 60 -13.229 -2.174 0.234 461 HD11 LEU 60 1HD1 LEU 60 -11.297 -1.713 1.406 462 HD12 LEU 60 2HD1 LEU 60 -11.300 -0.010 0.952 463 HD13 LEU 60 3HD1 LEU 60 -10.852 -1.236 -0.233 464 HD21 LEU 60 1HD2 LEU 60 -13.805 0.701 0.874 465 HD22 LEU 60 2HD2 LEU 60 -13.515 -0.492 2.140 466 HD23 LEU 60 3HD2 LEU 60 -14.866 -0.700 1.024 467 H ASN 61 H ASN 61 -13.628 1.933 -1.804 468 HA ASN 61 HA ASN 61 -13.625 2.302 -4.625 469 HB2 ASN 61 1HB ASN 61 -15.928 3.346 -3.033 470 HB3 ASN 61 2HB ASN 61 -15.297 4.337 -4.346 471 HD21 ASN 61 1HD2 ASN 61 -14.628 2.510 -6.221 472 HD22 ASN 61 2HD2 ASN 61 -16.033 1.661 -6.761 473 HA PRO 62 HA PRO 62 -10.784 5.480 -3.588 474 HB2 PRO 62 1HB PRO 62 -11.154 7.272 -5.593 475 HB3 PRO 62 2HB PRO 62 -10.365 5.709 -5.836 476 HG2 PRO 62 1HG PRO 62 -13.190 6.515 -6.413 477 HG3 PRO 62 2HG PRO 62 -12.080 5.544 -7.398 478 HD2 PRO 62 1HD PRO 62 -14.023 4.436 -5.872 479 HD3 PRO 62 2HD PRO 62 -12.471 3.629 -6.176 480 H GLN 63 H GLN 63 -14.010 5.890 -3.167 481 HA GLN 63 HA GLN 63 -14.088 8.733 -2.731 482 HB2 GLN 63 1HB GLN 63 -16.347 8.211 -1.735 483 HB3 GLN 63 2HB GLN 63 -16.132 7.728 -3.412 484 HG2 GLN 63 1HG GLN 63 -17.314 6.041 -2.081 485 HG3 GLN 63 2HG GLN 63 -15.803 5.435 -2.759 486 HE21 GLN 63 1HE2 GLN 63 -15.350 3.877 -1.305 487 HE22 GLN 63 2HE2 GLN 63 -15.048 4.165 0.371 488 H ASP 64 H ASP 64 -13.197 5.970 -0.913 489 HA ASP 64 HA ASP 64 -13.394 7.446 1.617 490 HB2 ASP 64 1HB ASP 64 -13.269 4.553 0.900 491 HB3 ASP 64 2HB ASP 64 -12.606 5.051 2.454 492 H ILE 65 H ILE 65 -11.652 8.545 2.202 493 HA ILE 65 HA ILE 65 -9.016 7.653 1.277 494 HB ILE 65 HB ILE 65 -9.890 10.301 2.436 495 HG12 ILE 65 1HG1 ILE 65 -8.961 9.568 -0.349 496 HG13 ILE 65 2HG1 ILE 65 -10.637 9.837 0.116 497 HG21 ILE 65 1HG2 ILE 65 -7.184 9.313 1.575 498 HG22 ILE 65 2HG2 ILE 65 -7.578 11.024 1.724 499 HG23 ILE 65 3HG2 ILE 65 -7.656 9.976 3.139 500 HD11 ILE 65 1HD1 ILE 65 -8.408 11.853 0.105 501 HD12 ILE 65 2HD1 ILE 65 -9.816 11.800 -0.956 502 HD13 ILE 65 3HD1 ILE 65 -10.018 12.153 0.760 503 H LYS 66 H LYS 66 -10.684 8.744 4.217 504 HA LYS 66 HA LYS 66 -8.473 8.121 5.927 505 HB2 LYS 66 1HB LYS 66 -10.360 9.834 6.321 506 HB3 LYS 66 2HB LYS 66 -11.320 8.455 6.840 507 HG2 LYS 66 1HG LYS 66 -9.675 7.955 8.573 508 HG3 LYS 66 2HG LYS 66 -8.706 9.336 8.050 509 HD2 LYS 66 1HD LYS 66 -11.553 9.521 9.032 510 HD3 LYS 66 2HD LYS 66 -10.130 9.799 10.039 511 HE2 LYS 66 1HE LYS 66 -9.442 11.600 8.480 512 HE3 LYS 66 2HE LYS 66 -10.943 11.359 7.587 513 HZ1 LYS 66 1HZ LYS 66 -10.664 13.114 9.570 514 HZ2 LYS 66 2HZ LYS 66 -11.240 11.783 10.440 515 HZ3 LYS 66 3HZ LYS 66 -12.143 12.405 9.152 516 H GLU 67 H GLU 67 -11.588 6.585 5.200 517 HA GLU 67 HA GLU 67 -11.299 4.427 6.994 518 HB2 GLU 67 1HB GLU 67 -13.447 5.122 5.953 519 HB3 GLU 67 2HB GLU 67 -12.872 4.500 4.413 520 HG2 GLU 67 1HG GLU 67 -13.083 2.314 5.055 521 HG3 GLU 67 2HG GLU 67 -12.901 2.685 6.768 522 H ASN 68 H ASN 68 -11.071 4.332 3.433 523 HA ASN 68 HA ASN 68 -10.138 1.876 2.958 524 HB2 ASN 68 1HB ASN 68 -9.300 4.500 1.764 525 HB3 ASN 68 2HB ASN 68 -8.550 3.002 1.217 526 HD21 ASN 68 1HD2 ASN 68 -9.606 3.925 -0.793 527 HD22 ASN 68 2HD2 ASN 68 -11.208 3.374 -1.136 528 H ASN 69 H ASN 69 -7.918 4.560 3.743 529 HA ASN 69 HA ASN 69 -5.600 3.033 3.963 530 HB2 ASN 69 1HB ASN 69 -6.468 5.691 5.007 531 HB3 ASN 69 2HB ASN 69 -4.994 4.983 5.662 532 HD21 ASN 69 1HD2 ASN 69 -6.595 5.864 2.646 533 HD22 ASN 69 2HD2 ASN 69 -5.146 6.208 1.769 534 H LYS 70 H LYS 70 -7.821 4.085 6.541 535 HA LYS 70 HA LYS 70 -6.582 2.962 8.722 536 HB2 LYS 70 1HB LYS 70 -8.512 4.345 9.028 537 HB3 LYS 70 2HB LYS 70 -9.523 3.241 8.105 538 HG2 LYS 70 1HG LYS 70 -9.740 1.769 9.835 539 HG3 LYS 70 2HG LYS 70 -8.188 2.210 10.550 540 HD2 LYS 70 1HD LYS 70 -9.095 4.270 11.388 541 HD3 LYS 70 2HD LYS 70 -10.613 4.003 10.527 542 HE2 LYS 70 1HE LYS 70 -10.924 3.448 12.845 543 HE3 LYS 70 2HE LYS 70 -10.972 1.966 11.893 544 HZ1 LYS 70 1HZ LYS 70 -8.327 2.372 12.637 545 HZ2 LYS 70 2HZ LYS 70 -9.381 1.168 13.185 546 HZ3 LYS 70 3HZ LYS 70 -9.257 2.631 14.026 547 H LYS 71 H LYS 71 -8.842 1.396 6.479 548 HA LYS 71 HA LYS 71 -9.164 -1.050 7.675 549 HB2 LYS 71 1HB LYS 71 -8.789 -0.495 4.726 550 HB3 LYS 71 2HB LYS 71 -9.460 -1.976 5.396 551 HG2 LYS 71 1HG LYS 71 -11.101 -0.223 6.554 552 HG3 LYS 71 2HG LYS 71 -10.675 0.703 5.113 553 HD2 LYS 71 1HD LYS 71 -12.391 -0.449 4.202 554 HD3 LYS 71 2HD LYS 71 -11.165 -1.702 4.001 555 HE2 LYS 71 1HE LYS 71 -12.913 -1.489 6.442 556 HE3 LYS 71 2HE LYS 71 -13.357 -2.439 5.025 557 HZ1 LYS 71 1HZ LYS 71 -12.186 -3.631 6.922 558 HZ2 LYS 71 2HZ LYS 71 -10.777 -2.847 6.408 559 HZ3 LYS 71 3HZ LYS 71 -11.590 -3.898 5.361 560 H ALA 72 H ALA 72 -6.675 -0.350 5.212 561 HA ALA 72 HA ALA 72 -5.257 -2.694 5.338 562 HB1 ALA 72 1HB ALA 72 -3.226 -1.043 4.890 563 HB2 ALA 72 2HB ALA 72 -4.465 -1.362 3.675 564 HB3 ALA 72 3HB ALA 72 -4.547 0.103 4.654 565 H TYR 73 H TYR 73 -4.157 0.256 7.016 566 HA TYR 73 HA TYR 73 -2.196 -0.640 8.577 567 HB2 TYR 73 1HB TYR 73 -4.452 1.053 9.667 568 HB3 TYR 73 2HB TYR 73 -2.802 0.991 10.277 569 HD1 TYR 73 1HD TYR 73 -1.338 1.023 7.652 570 HD2 TYR 73 2HD TYR 73 -4.635 3.318 9.054 571 HE1 TYR 73 1HE TYR 73 -0.705 2.850 6.132 572 HE2 TYR 73 2HE TYR 73 -4.012 5.151 7.537 573 HH TYR 73 HH TYR 73 -2.420 5.940 6.160 574 H ASP 74 H ASP 74 -5.632 -1.100 9.337 575 HA ASP 74 HA ASP 74 -5.328 -2.414 11.778 576 HB2 ASP 74 1HB ASP 74 -7.480 -1.561 10.762 577 HB3 ASP 74 2HB ASP 74 -7.489 -3.004 9.752 578 H GLY 75 H GLY 75 -5.494 -3.747 8.488 579 HA2 GLY 75 1HA GLY 75 -5.169 -6.456 9.377 580 HA3 GLY 75 2HA GLY 75 -5.107 -5.889 7.715 581 H PHE 76 H PHE 76 -3.046 -4.282 7.507 582 HA PHE 76 HA PHE 76 -0.819 -5.877 7.353 583 HB2 PHE 76 1HB PHE 76 -1.041 -2.883 7.652 584 HB3 PHE 76 2HB PHE 76 0.492 -3.694 7.351 585 HD1 PHE 76 1HD PHE 76 -0.261 -5.765 5.436 586 HD2 PHE 76 2HD PHE 76 -1.520 -1.709 5.721 587 HE1 PHE 76 1HE PHE 76 -0.722 -5.742 3.019 588 HE2 PHE 76 2HE PHE 76 -1.984 -1.680 3.305 589 HZ PHE 76 HZ PHE 76 -1.586 -3.698 1.951 590 H ALA 77 H ALA 77 -1.762 -3.743 10.017 591 HA ALA 77 HA ALA 77 0.554 -4.245 11.590 592 HB1 ALA 77 1HB ALA 77 -0.404 -2.897 13.198 593 HB2 ALA 77 2HB ALA 77 -1.174 -2.305 11.725 594 HB3 ALA 77 3HB ALA 77 -2.046 -3.402 12.796 595 H SER 78 H SER 78 -2.546 -5.813 11.238 596 HA SER 78 HA SER 78 -2.836 -7.252 13.533 597 HB2 SER 78 1HB SER 78 -4.374 -7.343 11.574 598 HB3 SER 78 2HB SER 78 -3.214 -8.386 10.752 599 HG SER 78 HG SER 78 -4.465 -8.962 13.235 600 H ILE 79 H ILE 79 -0.810 -8.163 10.757 601 HA ILE 79 HA ILE 79 0.209 -10.519 11.990 602 HB ILE 79 HB ILE 79 1.939 -10.418 10.166 603 HG12 ILE 79 1HG1 ILE 79 0.309 -8.050 9.226 604 HG13 ILE 79 2HG1 ILE 79 1.905 -7.927 9.957 605 HG21 ILE 79 1HG2 ILE 79 -0.945 -10.193 9.315 606 HG22 ILE 79 2HG2 ILE 79 0.353 -10.934 8.381 607 HG23 ILE 79 3HG2 ILE 79 -0.152 -11.651 9.911 608 HD11 ILE 79 1HD1 ILE 79 2.123 -9.783 7.858 609 HD12 ILE 79 2HD1 ILE 79 1.202 -8.411 7.241 610 HD13 ILE 79 3HD1 ILE 79 2.795 -8.155 7.952 611 H GLY 80 H GLY 80 1.403 -7.205 11.641 612 HA2 GLY 80 1HA GLY 80 2.664 -6.709 13.884 613 HA3 GLY 80 2HA GLY 80 3.783 -7.884 13.209 614 H ILE 81 H ILE 81 1.983 -5.477 11.374 615 HA ILE 81 HA ILE 81 4.548 -4.324 10.528 616 HB ILE 81 HB ILE 81 1.829 -4.182 9.224 617 HG12 ILE 81 1HG1 ILE 81 4.371 -5.656 8.517 618 HG13 ILE 81 2HG1 ILE 81 2.820 -6.364 8.953 619 HG21 ILE 81 1HG2 ILE 81 3.198 -2.127 8.930 620 HG22 ILE 81 2HG2 ILE 81 4.449 -3.120 8.185 621 HG23 ILE 81 3HG2 ILE 81 2.865 -2.982 7.424 622 HD11 ILE 81 1HD1 ILE 81 2.490 -6.541 6.762 623 HD12 ILE 81 2HD1 ILE 81 2.182 -4.805 6.795 624 HD13 ILE 81 3HD1 ILE 81 3.787 -5.408 6.384 625 H SER 82 H SER 82 5.027 -2.733 11.950 626 HA SER 82 HA SER 82 3.375 -1.118 13.405 627 HB2 SER 82 1HB SER 82 5.224 0.545 13.423 628 HB3 SER 82 2HB SER 82 5.789 -1.100 13.714 629 HG SER 82 HG SER 82 6.681 -1.164 11.737 630 H ARG 83 H ARG 83 2.547 1.002 13.157 631 HA ARG 83 HA ARG 83 1.763 1.598 10.402 632 HB2 ARG 83 1HB ARG 83 0.688 2.580 13.050 633 HB3 ARG 83 2HB ARG 83 0.095 3.116 11.484 634 HG2 ARG 83 1HG ARG 83 -1.429 1.491 12.003 635 HG3 ARG 83 2HG ARG 83 -0.256 0.562 11.069 636 HD2 ARG 83 1HD ARG 83 -0.579 -0.791 12.911 637 HD3 ARG 83 2HD ARG 83 0.848 0.131 13.381 638 HE ARG 83 HE ARG 83 -1.670 1.265 14.231 639 HH11 ARG 83 1HH1 ARG 83 0.978 -0.852 15.026 640 HH12 ARG 83 2HH1 ARG 83 0.715 -0.752 16.736 641 HH21 ARG 83 1HH2 ARG 83 -2.026 1.404 16.480 642 HH22 ARG 83 2HH2 ARG 83 -0.995 0.530 17.561 643 H LEU 84 H LEU 84 3.273 2.825 9.432 644 HA LEU 84 HA LEU 84 4.650 4.924 10.878 645 HB2 LEU 84 1HB LEU 84 4.805 3.934 8.041 646 HB3 LEU 84 2HB LEU 84 5.731 5.314 8.629 647 HG LEU 84 HG LEU 84 6.678 3.680 10.372 648 HD11 LEU 84 1HD1 LEU 84 5.899 1.606 10.363 649 HD12 LEU 84 2HD1 LEU 84 6.569 1.388 8.747 650 HD13 LEU 84 3HD1 LEU 84 4.908 1.946 8.944 651 HD21 LEU 84 1HD2 LEU 84 7.602 4.560 8.006 652 HD22 LEU 84 2HD2 LEU 84 7.608 2.822 7.707 653 HD23 LEU 84 3HD2 LEU 84 8.511 3.486 9.069 654 H LEU 85 H LEU 85 2.362 4.665 8.180 655 HA LEU 85 HA LEU 85 1.975 7.573 8.265 656 HB2 LEU 85 1HB LEU 85 2.483 6.394 6.097 657 HB3 LEU 85 2HB LEU 85 0.900 5.632 6.230 658 HG LEU 85 HG LEU 85 -0.081 7.963 6.244 659 HD11 LEU 85 1HD1 LEU 85 2.318 8.995 4.891 660 HD12 LEU 85 2HD1 LEU 85 2.455 8.800 6.638 661 HD13 LEU 85 3HD1 LEU 85 1.175 9.807 5.961 662 HD21 LEU 85 1HD2 LEU 85 0.406 8.252 3.732 663 HD22 LEU 85 2HD2 LEU 85 -0.381 6.768 4.270 664 HD23 LEU 85 3HD2 LEU 85 1.342 6.767 3.894 665 H GLU 86 H GLU 86 -0.125 8.470 8.380 666 HA GLU 86 HA GLU 86 -2.079 6.696 9.684 667 HB2 GLU 86 1HB GLU 86 -1.820 9.701 9.887 668 HB3 GLU 86 2HB GLU 86 -2.981 8.704 10.753 669 HG2 GLU 86 1HG GLU 86 0.011 8.561 11.052 670 HG3 GLU 86 2HG GLU 86 -1.097 9.370 12.160 671 HA PRO 87 HA PRO 87 -4.936 7.262 6.397 672 HB2 PRO 87 1HB PRO 87 -7.283 7.044 7.744 673 HB3 PRO 87 2HB PRO 87 -6.228 5.663 7.423 674 HG2 PRO 87 1HG PRO 87 -6.503 7.297 9.916 675 HG3 PRO 87 2HG PRO 87 -6.366 5.538 9.741 676 HD2 PRO 87 1HD PRO 87 -4.267 7.101 10.437 677 HD3 PRO 87 2HD PRO 87 -4.077 5.616 9.483 678 H SER 88 H SER 88 -5.938 9.016 9.342 679 HA SER 88 HA SER 88 -7.514 10.942 8.102 680 HB2 SER 88 1HB SER 88 -7.067 12.325 10.150 681 HB3 SER 88 2HB SER 88 -7.587 10.676 10.497 682 HG SER 88 HG SER 88 -5.189 10.265 10.567 683 H ASP 89 H ASP 89 -4.061 11.065 8.924 684 HA ASP 89 HA ASP 89 -3.373 13.598 8.255 685 HB2 ASP 89 1HB ASP 89 -1.948 10.996 7.780 686 HB3 ASP 89 2HB ASP 89 -1.220 12.520 7.279 687 H MET 90 H MET 90 -3.598 10.912 5.922 688 HA MET 90 HA MET 90 -2.979 12.245 3.606 689 HB2 MET 90 1HB MET 90 -5.140 10.153 3.917 690 HB3 MET 90 2HB MET 90 -4.321 10.580 2.421 691 HG2 MET 90 1HG MET 90 -2.708 9.661 4.749 692 HG3 MET 90 2HG MET 90 -3.602 8.480 3.794 693 HE1 MET 90 1HE MET 90 -0.957 7.535 1.443 694 HE2 MET 90 2HE MET 90 -1.816 7.106 2.921 695 HE3 MET 90 3HE MET 90 -2.721 7.536 1.469 696 H VAL 91 H VAL 91 -6.095 12.141 5.277 697 HA VAL 91 HA VAL 91 -7.511 13.625 3.304 698 HB VAL 91 HB VAL 91 -8.181 13.270 6.229 699 HG11 VAL 91 1HG1 VAL 91 -10.142 13.776 4.022 700 HG12 VAL 91 2HG1 VAL 91 -10.333 14.015 5.760 701 HG13 VAL 91 3HG1 VAL 91 -9.319 15.113 4.824 702 HG21 VAL 91 1HG2 VAL 91 -9.785 11.531 5.185 703 HG22 VAL 91 2HG2 VAL 91 -8.675 11.567 3.815 704 HG23 VAL 91 3HG2 VAL 91 -8.091 11.097 5.411 705 H LEU 92 H LEU 92 -6.068 14.499 6.433 706 HA LEU 92 HA LEU 92 -6.808 17.138 6.604 707 HB2 LEU 92 1HB LEU 92 -4.102 16.016 7.313 708 HB3 LEU 92 2HB LEU 92 -4.814 17.499 7.944 709 HG LEU 92 HG LEU 92 -5.936 14.740 8.419 710 HD11 LEU 92 1HD1 LEU 92 -4.259 14.468 9.855 711 HD12 LEU 92 2HD1 LEU 92 -4.998 15.748 10.817 712 HD13 LEU 92 3HD1 LEU 92 -3.722 16.137 9.664 713 HD21 LEU 92 1HD2 LEU 92 -7.657 15.736 9.418 714 HD22 LEU 92 2HD2 LEU 92 -7.115 17.239 8.669 715 HD23 LEU 92 3HD2 LEU 92 -6.598 16.832 10.307 716 H LEU 93 H LEU 93 -3.746 15.978 5.182 717 HA LEU 93 HA LEU 93 -3.374 18.540 3.862 718 HB2 LEU 93 1HB LEU 93 -1.222 17.577 3.133 719 HB3 LEU 93 2HB LEU 93 -1.440 17.563 4.882 720 HG LEU 93 HG LEU 93 -2.232 15.098 4.451 721 HD11 LEU 93 1HD1 LEU 93 -1.835 15.708 1.881 722 HD12 LEU 93 2HD1 LEU 93 -1.620 14.081 2.526 723 HD13 LEU 93 3HD1 LEU 93 -0.220 15.126 2.287 724 HD21 LEU 93 1HD2 LEU 93 -0.206 14.424 5.251 725 HD22 LEU 93 2HD2 LEU 93 -0.074 16.156 5.556 726 HD23 LEU 93 3HD2 LEU 93 0.701 15.448 4.138 727 H ALA 94 H ALA 94 -2.615 18.477 1.531 728 HA ALA 94 HA ALA 94 -4.644 17.147 -0.031 729 HB1 ALA 94 1HB ALA 94 -4.374 18.913 -1.343 730 HB2 ALA 94 2HB ALA 94 -3.059 19.473 -0.308 731 HB3 ALA 94 3HB ALA 94 -2.713 18.428 -1.686 732 H ILE 95 H ILE 95 -1.087 17.307 -0.325 733 HA ILE 95 HA ILE 95 -1.163 14.574 -1.429 734 HB ILE 95 HB ILE 95 0.926 16.684 -1.978 735 HG12 ILE 95 1HG1 ILE 95 -1.369 17.159 -2.929 736 HG13 ILE 95 2HG1 ILE 95 -0.078 17.020 -4.117 737 HG21 ILE 95 1HG2 ILE 95 0.460 13.935 -3.121 738 HG22 ILE 95 2HG2 ILE 95 1.594 15.110 -3.785 739 HG23 ILE 95 3HG2 ILE 95 1.837 14.473 -2.159 740 HD11 ILE 95 1HD1 ILE 95 -0.804 14.865 -4.776 741 HD12 ILE 95 2HD1 ILE 95 -1.926 14.759 -3.418 742 HD13 ILE 95 3HD1 ILE 95 -2.229 15.903 -4.725 743 HA PRO 96 HA PRO 96 1.165 13.471 2.185 744 HB2 PRO 96 1HB PRO 96 1.728 10.926 1.427 745 HB3 PRO 96 2HB PRO 96 0.138 11.422 2.021 746 HG2 PRO 96 1HG PRO 96 1.071 11.034 -0.797 747 HG3 PRO 96 2HG PRO 96 -0.458 10.542 -0.047 748 HD2 PRO 96 1HD PRO 96 -0.241 12.751 -1.597 749 HD3 PRO 96 2HD PRO 96 -1.374 12.649 -0.234 750 H ASP 97 H ASP 97 3.321 12.291 2.581 751 HA ASP 97 HA ASP 97 5.310 13.541 0.864 752 HB2 ASP 97 1HB ASP 97 5.366 12.289 3.591 753 HB3 ASP 97 2HB ASP 97 6.867 12.545 2.704 754 H LYS 98 H LYS 98 5.652 12.374 -0.944 755 HA LYS 98 HA LYS 98 5.381 9.761 -1.501 756 HB2 LYS 98 1HB LYS 98 6.159 11.423 -3.133 757 HB3 LYS 98 2HB LYS 98 7.735 11.459 -2.353 758 HG2 LYS 98 1HG LYS 98 7.755 8.913 -2.855 759 HG3 LYS 98 2HG LYS 98 6.505 9.321 -4.033 760 HD2 LYS 98 1HD LYS 98 7.974 10.826 -5.173 761 HD3 LYS 98 2HD LYS 98 9.193 10.680 -3.904 762 HE2 LYS 98 1HE LYS 98 9.839 8.577 -4.584 763 HE3 LYS 98 2HE LYS 98 8.285 8.228 -5.339 764 HZ1 LYS 98 1HZ LYS 98 9.366 10.384 -6.703 765 HZ2 LYS 98 2HZ LYS 98 9.185 8.799 -7.264 766 HZ3 LYS 98 3HZ LYS 98 10.627 9.271 -6.518 767 H LEU 99 H LEU 99 8.374 11.142 -0.140 768 HA LEU 99 HA LEU 99 9.824 8.805 0.137 769 HB2 LEU 99 1HB LEU 99 9.839 11.064 2.126 770 HB3 LEU 99 2HB LEU 99 11.150 9.944 1.764 771 HG LEU 99 HG LEU 99 10.079 11.998 -0.168 772 HD11 LEU 99 1HD1 LEU 99 11.490 12.558 2.092 773 HD12 LEU 99 2HD1 LEU 99 11.518 13.523 0.617 774 HD13 LEU 99 3HD1 LEU 99 12.780 12.327 0.911 775 HD21 LEU 99 1HD2 LEU 99 12.342 11.488 -1.241 776 HD22 LEU 99 2HD2 LEU 99 11.065 10.285 -1.421 777 HD23 LEU 99 3HD2 LEU 99 12.351 10.037 -0.239 778 H THR 100 H THR 100 7.532 10.261 2.422 779 HA THR 100 HA THR 100 7.842 8.429 4.508 780 HB THR 100 HB THR 100 5.330 9.919 3.724 781 HG1 THR 100 1HG THR 100 6.219 11.274 5.559 782 HG21 THR 100 1HG2 THR 100 4.341 8.923 5.452 783 HG22 THR 100 2HG2 THR 100 5.593 9.545 6.528 784 HG23 THR 100 3HG2 THR 100 5.798 7.976 5.749 785 H VAL 101 H VAL 101 5.237 8.496 2.065 786 HA VAL 101 HA VAL 101 4.002 6.120 2.690 787 HB VAL 101 HB VAL 101 4.413 7.262 -0.077 788 HG11 VAL 101 1HG1 VAL 101 2.028 5.648 0.617 789 HG12 VAL 101 2HG1 VAL 101 2.900 5.787 -0.911 790 HG13 VAL 101 3HG1 VAL 101 3.548 4.783 0.387 791 HG21 VAL 101 1HG2 VAL 101 2.735 8.716 0.307 792 HG22 VAL 101 2HG2 VAL 101 1.839 7.580 1.315 793 HG23 VAL 101 3HG2 VAL 101 3.187 8.490 1.997 794 H MET 102 H MET 102 6.389 6.484 0.058 795 HA MET 102 HA MET 102 6.769 3.911 -0.670 796 HB2 MET 102 1HB MET 102 8.832 6.081 -0.315 797 HB3 MET 102 2HB MET 102 9.206 4.531 -1.057 798 HG2 MET 102 1HG MET 102 7.339 5.012 -2.690 799 HG3 MET 102 2HG MET 102 7.328 6.652 -2.044 800 HE1 MET 102 1HE MET 102 9.189 3.859 -3.605 801 HE2 MET 102 2HE MET 102 8.914 4.712 -5.124 802 HE3 MET 102 3HE MET 102 10.549 4.565 -4.478 803 H THR 103 H THR 103 8.346 5.488 2.096 804 HA THR 103 HA THR 103 9.940 3.383 2.946 805 HB THR 103 HB THR 103 8.531 5.441 4.657 806 HG1 THR 103 1HG THR 103 11.087 5.379 3.401 807 HG21 THR 103 1HG2 THR 103 10.613 3.383 5.257 808 HG22 THR 103 2HG2 THR 103 9.234 3.900 6.227 809 HG23 THR 103 3HG2 THR 103 10.659 4.932 6.097 810 H TYR 104 H TYR 104 6.587 4.133 3.860 811 HA TYR 104 HA TYR 104 6.256 1.986 5.647 812 HB2 TYR 104 1HB TYR 104 4.724 3.874 5.640 813 HB3 TYR 104 2HB TYR 104 4.205 3.484 4.004 814 HD1 TYR 104 2HD TYR 104 4.681 1.328 7.016 815 HD2 TYR 104 1HD TYR 104 1.977 2.860 4.110 816 HE1 TYR 104 2HE TYR 104 2.899 -0.102 7.928 817 HE2 TYR 104 1HE TYR 104 0.188 1.435 5.015 818 HH TYR 104 HH TYR 104 0.647 -1.139 6.868 819 H LEU 105 H LEU 105 5.371 2.310 2.217 820 HA LEU 105 HA LEU 105 4.197 -0.154 1.814 821 HB2 LEU 105 1HB LEU 105 5.674 1.758 0.095 822 HB3 LEU 105 2HB LEU 105 5.397 0.140 -0.545 823 HG LEU 105 HG LEU 105 3.160 1.869 0.482 824 HD11 LEU 105 1HD1 LEU 105 2.763 2.243 -2.026 825 HD12 LEU 105 2HD1 LEU 105 4.465 1.826 -2.214 826 HD13 LEU 105 3HD1 LEU 105 4.001 3.210 -1.225 827 HD21 LEU 105 1HD2 LEU 105 2.929 -0.214 -1.635 828 HD22 LEU 105 2HD2 LEU 105 1.741 0.329 -0.450 829 HD23 LEU 105 3HD2 LEU 105 3.069 -0.720 0.049 830 H TYR 106 H TYR 106 7.609 0.630 1.114 831 HA TYR 106 HA TYR 106 8.659 -1.711 0.393 832 HB2 TYR 106 1HB TYR 106 9.724 0.350 2.293 833 HB3 TYR 106 2HB TYR 106 10.661 -1.103 1.961 834 HD1 TYR 106 2HD TYR 106 10.293 -1.569 -0.860 835 HD2 TYR 106 1HD TYR 106 10.727 2.126 1.204 836 HE1 TYR 106 2HE TYR 106 11.178 -0.535 -2.909 837 HE2 TYR 106 1HE TYR 106 11.611 3.171 -0.839 838 HH TYR 106 HH TYR 106 11.212 2.256 -3.693 839 H GLN 107 H GLN 107 7.871 -0.883 3.751 840 HA GLN 107 HA GLN 107 8.821 -3.136 5.033 841 HB2 GLN 107 1HB GLN 107 6.283 -1.619 5.665 842 HB3 GLN 107 2HB GLN 107 7.140 -2.689 6.767 843 HG2 GLN 107 1HG GLN 107 8.452 -0.281 5.557 844 HG3 GLN 107 2HG GLN 107 7.495 -0.185 7.034 845 HE21 GLN 107 1HE2 GLN 107 8.915 0.095 8.613 846 HE22 GLN 107 2HE2 GLN 107 10.304 -0.891 8.903 847 H ILE 108 H ILE 108 5.518 -2.647 3.779 848 HA ILE 108 HA ILE 108 4.578 -5.224 4.321 849 HB ILE 108 HB ILE 108 3.720 -3.362 2.104 850 HG12 ILE 108 1HG1 ILE 108 1.798 -3.045 3.870 851 HG13 ILE 108 2HG1 ILE 108 3.023 -3.594 5.008 852 HG21 ILE 108 1HG2 ILE 108 3.082 -5.912 2.122 853 HG22 ILE 108 2HG2 ILE 108 1.921 -5.385 3.339 854 HG23 ILE 108 3HG2 ILE 108 1.886 -4.680 1.723 855 HD11 ILE 108 1HD1 ILE 108 4.057 -1.546 3.260 856 HD12 ILE 108 2HD1 ILE 108 2.614 -1.007 4.120 857 HD13 ILE 108 3HD1 ILE 108 4.004 -1.610 5.021 858 H ARG 109 H ARG 109 5.728 -3.902 1.211 859 HA ARG 109 HA ARG 109 5.610 -6.241 -0.269 860 HB2 ARG 109 1HB ARG 109 6.007 -4.263 -1.472 861 HB3 ARG 109 2HB ARG 109 7.369 -3.812 -0.455 862 HG2 ARG 109 1HG ARG 109 7.573 -6.312 -2.047 863 HG3 ARG 109 2HG ARG 109 7.710 -4.764 -2.884 864 HD2 ARG 109 1HD ARG 109 9.437 -4.142 -1.127 865 HD3 ARG 109 2HD ARG 109 9.427 -5.843 -0.664 866 HE ARG 109 HE ARG 109 10.735 -4.703 -2.910 867 HH11 ARG 109 1HH1 ARG 109 9.018 -7.544 -1.859 868 HH12 ARG 109 2HH1 ARG 109 9.812 -8.598 -2.981 869 HH21 ARG 109 1HH2 ARG 109 11.787 -6.081 -4.392 870 HH22 ARG 109 2HH2 ARG 109 11.387 -7.765 -4.421 871 H ALA 110 H ALA 110 8.061 -5.133 1.982 872 HA ALA 110 HA ALA 110 9.971 -7.160 1.302 873 HB1 ALA 110 1HB ALA 110 9.753 -5.160 3.526 874 HB2 ALA 110 2HB ALA 110 11.007 -6.401 3.523 875 HB3 ALA 110 3HB ALA 110 10.922 -5.231 2.207 876 H HIS 111 H HIS 111 7.533 -6.734 3.828 877 HA HIS 111 HA HIS 111 8.186 -8.938 5.415 878 HB2 HIS 111 1HB HIS 111 6.536 -7.081 5.942 879 HB3 HIS 111 2HB HIS 111 5.377 -7.942 4.935 880 HD1 HIS 111 1HD HIS 111 7.146 -8.139 8.225 881 HD2 HIS 111 2HD HIS 111 4.288 -10.250 6.072 882 HE1 HIS 111 1HE HIS 111 6.154 -9.779 9.853 883 HE2 HIS 111 2HE HIS 111 4.487 -11.102 8.506 884 H PHE 112 H PHE 112 5.725 -8.713 2.842 885 HA PHE 112 HA PHE 112 5.032 -11.435 2.865 886 HB2 PHE 112 1HB PHE 112 4.797 -9.319 0.726 887 HB3 PHE 112 2HB PHE 112 4.158 -10.948 0.530 888 HD1 PHE 112 1HD PHE 112 2.806 -11.679 2.828 889 HD2 PHE 112 2HD PHE 112 3.199 -7.762 1.210 890 HE1 PHE 112 1HE PHE 112 0.733 -11.003 3.968 891 HE2 PHE 112 2HE PHE 112 1.127 -7.080 2.347 892 HZ PHE 112 HZ PHE 112 -0.109 -8.701 3.730 893 H SER 113 H SER 113 7.281 -9.634 0.784 894 HA SER 113 HA SER 113 8.690 -12.151 0.252 895 HB2 SER 113 1HB SER 113 7.086 -11.412 -1.650 896 HB3 SER 113 2HB SER 113 8.281 -10.153 -1.960 897 HG SER 113 HG SER 113 8.934 -11.814 -3.201 898 H SER 114 H SER 114 10.876 -11.989 0.191 899 HA SER 114 HA SER 114 12.028 -9.285 0.413 900 HB2 SER 114 1HB SER 114 11.975 -10.695 2.558 901 HB3 SER 114 2HB SER 114 13.190 -11.709 1.780 902 HG SER 114 HG SER 114 13.527 -8.916 1.945 903 H GLY 115 H GLY 115 11.783 -10.457 -2.048 904 HA2 GLY 115 1HA GLY 115 13.239 -10.522 -3.882 905 HA3 GLY 115 2HA GLY 115 14.584 -10.767 -2.777 906 HA PRO 116 HA PRO 116 13.934 -14.799 -4.864 907 HB2 PRO 116 1HB PRO 116 16.574 -15.429 -4.925 908 HB3 PRO 116 2HB PRO 116 15.798 -14.425 -6.155 909 HG2 PRO 116 1HG PRO 116 17.432 -13.596 -3.788 910 HG3 PRO 116 2HG PRO 116 17.475 -12.978 -5.450 911 HD2 PRO 116 1HD PRO 116 16.191 -11.685 -3.447 912 HD3 PRO 116 2HD PRO 116 15.631 -11.633 -5.131 913 H SER 117 H SER 117 13.770 -16.761 -3.900 914 HA SER 117 HA SER 117 14.062 -16.950 -1.088 915 HB2 SER 117 1HB SER 117 12.337 -18.220 -2.236 916 HB3 SER 117 2HB SER 117 13.555 -19.094 -3.164 917 HG SER 117 HG SER 117 13.152 -19.197 -0.356 918 H SER 118 H SER 118 15.993 -16.991 -0.140 919 HA SER 118 HA SER 118 18.110 -18.652 -1.337 920 HB2 SER 118 1HB SER 118 18.225 -16.161 0.354 921 HB3 SER 118 2HB SER 118 19.621 -17.226 0.190 922 HG SER 118 HG SER 118 18.580 -15.432 -1.582 923 H GLY 119 H GLY 119 19.129 -20.199 -0.132 924 HA2 GLY 119 1HA GLY 119 17.839 -20.859 2.423 925 HA3 GLY 119 2HA GLY 119 18.747 -21.974 1.413 Start of MODEL 14 1 H1 GLY 1 H GLY 1 16.559 -5.236 -22.083 2 HA2 GLY 1 1HA GLY 1 17.371 -3.435 -20.670 3 HA3 GLY 1 2HA GLY 1 15.709 -2.886 -20.514 4 H SER 2 H SER 2 14.199 -4.445 -19.431 5 HA SER 2 HA SER 2 15.580 -5.637 -17.130 6 HB2 SER 2 1HB SER 2 12.725 -4.694 -17.469 7 HB3 SER 2 2HB SER 2 13.332 -5.504 -16.025 8 HG SER 2 HG SER 2 13.330 -3.048 -16.201 9 H SER 3 H SER 3 15.994 -7.724 -17.539 10 HA SER 3 HA SER 3 14.079 -9.359 -18.988 11 HB2 SER 3 1HB SER 3 16.833 -9.938 -17.884 12 HB3 SER 3 2HB SER 3 15.840 -11.144 -18.701 13 HG SER 3 HG SER 3 15.780 -9.242 -20.362 14 H GLY 4 H GLY 4 15.802 -9.633 -15.869 15 HA2 GLY 4 1HA GLY 4 13.449 -10.295 -14.422 16 HA3 GLY 4 2HA GLY 4 14.347 -11.752 -14.822 17 H SER 5 H SER 5 15.574 -8.534 -13.979 18 HA SER 5 HA SER 5 16.939 -9.772 -11.679 19 HB2 SER 5 1HB SER 5 18.655 -7.993 -11.949 20 HB3 SER 5 2HB SER 5 18.528 -9.034 -13.367 21 HG SER 5 HG SER 5 17.717 -6.368 -13.030 22 H SER 6 H SER 6 15.094 -9.351 -10.347 23 HA SER 6 HA SER 6 14.679 -6.506 -9.714 24 HB2 SER 6 1HB SER 6 12.894 -8.915 -9.475 25 HB3 SER 6 2HB SER 6 12.584 -7.463 -8.522 26 HG SER 6 HG SER 6 12.920 -7.407 -11.332 27 H GLY 7 H GLY 7 14.831 -5.780 -7.608 28 HA2 GLY 7 1HA GLY 7 15.407 -7.662 -5.470 29 HA3 GLY 7 2HA GLY 7 16.738 -6.610 -5.926 30 HA PRO 8 HA PRO 8 13.789 -4.590 -2.800 31 HB2 PRO 8 1HB PRO 8 15.422 -4.690 -0.634 32 HB3 PRO 8 2HB PRO 8 14.267 -5.969 -1.026 33 HG2 PRO 8 1HG PRO 8 17.211 -5.848 -1.556 34 HG3 PRO 8 2HG PRO 8 16.235 -7.206 -0.964 35 HD2 PRO 8 1HD PRO 8 17.023 -6.994 -3.546 36 HD3 PRO 8 2HD PRO 8 15.489 -7.753 -3.075 37 H ASN 9 H ASN 9 14.195 -2.539 -1.681 38 HA ASN 9 HA ASN 9 15.025 -0.423 -1.584 39 HB2 ASN 9 1HB ASN 9 17.500 -2.077 -1.829 40 HB3 ASN 9 2HB ASN 9 17.640 -0.330 -2.004 41 HD21 ASN 9 1HD2 ASN 9 16.006 0.717 -0.227 42 HD22 ASN 9 2HD2 ASN 9 16.395 0.215 1.380 43 H ALA 10 H ALA 10 13.846 -1.171 -3.971 44 HA ALA 10 HA ALA 10 15.261 0.583 -5.835 45 HB1 ALA 10 1HB ALA 10 14.167 -1.424 -7.454 46 HB2 ALA 10 2HB ALA 10 15.874 -1.086 -7.163 47 HB3 ALA 10 3HB ALA 10 15.024 -2.260 -6.159 48 H SER 11 H SER 11 13.920 2.077 -6.590 49 HA SER 11 HA SER 11 11.242 2.283 -5.927 50 HB2 SER 11 1HB SER 11 11.104 4.064 -7.591 51 HB3 SER 11 2HB SER 11 12.640 4.167 -6.730 52 HG SER 11 HG SER 11 12.281 4.011 -9.321 53 H GLN 12 H GLN 12 12.658 1.147 -8.986 54 HA GLN 12 HA GLN 12 10.293 0.651 -10.362 55 HB2 GLN 12 1HB GLN 12 12.409 0.592 -11.507 56 HB3 GLN 12 2HB GLN 12 12.966 -0.747 -10.513 57 HG2 GLN 12 1HG GLN 12 10.504 -1.128 -12.127 58 HG3 GLN 12 2HG GLN 12 12.059 -1.111 -12.958 59 HE21 GLN 12 1HE2 GLN 12 10.713 -3.361 -13.157 60 HE22 GLN 12 2HE2 GLN 12 11.367 -4.599 -12.145 61 H SER 13 H SER 13 12.231 -1.630 -8.427 62 HA SER 13 HA SER 13 10.627 -3.867 -8.687 63 HB2 SER 13 1HB SER 13 12.247 -2.985 -6.287 64 HB3 SER 13 2HB SER 13 11.595 -4.607 -6.517 65 HG SER 13 HG SER 13 13.732 -3.350 -7.769 66 H LEU 14 H LEU 14 10.440 -1.315 -6.219 67 HA LEU 14 HA LEU 14 8.263 -2.384 -4.803 68 HB2 LEU 14 1HB LEU 14 9.526 -0.713 -3.739 69 HB3 LEU 14 2HB LEU 14 9.357 0.395 -5.099 70 HG LEU 14 HG LEU 14 6.915 0.567 -4.523 71 HD11 LEU 14 1HD1 LEU 14 7.422 -1.599 -2.918 72 HD12 LEU 14 2HD1 LEU 14 5.991 -0.571 -2.843 73 HD13 LEU 14 3HD1 LEU 14 7.354 -0.265 -1.767 74 HD21 LEU 14 1HD2 LEU 14 8.885 1.429 -2.407 75 HD22 LEU 14 2HD2 LEU 14 7.283 2.116 -2.677 76 HD23 LEU 14 3HD2 LEU 14 8.537 2.291 -3.905 77 H LEU 15 H LEU 15 8.271 0.320 -7.136 78 HA LEU 15 HA LEU 15 5.564 0.730 -7.336 79 HB2 LEU 15 1HB LEU 15 7.466 2.009 -8.434 80 HB3 LEU 15 2HB LEU 15 7.397 0.804 -9.718 81 HG LEU 15 HG LEU 15 4.877 1.520 -9.837 82 HD11 LEU 15 1HD1 LEU 15 6.111 4.057 -8.792 83 HD12 LEU 15 2HD1 LEU 15 5.119 2.982 -7.808 84 HD13 LEU 15 3HD1 LEU 15 4.427 3.767 -9.227 85 HD21 LEU 15 1HD2 LEU 15 5.516 2.382 -11.786 86 HD22 LEU 15 2HD2 LEU 15 7.181 2.131 -11.260 87 HD23 LEU 15 3HD2 LEU 15 6.398 3.691 -10.999 88 H VAL 16 H VAL 16 7.526 -1.675 -9.028 89 HA VAL 16 HA VAL 16 5.414 -2.663 -10.657 90 HB VAL 16 HB VAL 16 7.952 -4.077 -9.826 91 HG11 VAL 16 1HG1 VAL 16 7.237 -5.800 -11.027 92 HG12 VAL 16 2HG1 VAL 16 5.705 -4.967 -11.295 93 HG13 VAL 16 3HG1 VAL 16 7.035 -4.758 -12.435 94 HG21 VAL 16 1HG2 VAL 16 7.785 -1.726 -11.218 95 HG22 VAL 16 2HG2 VAL 16 9.115 -2.880 -11.321 96 HG23 VAL 16 3HG2 VAL 16 7.812 -2.928 -12.509 97 H TRP 17 H TRP 17 6.877 -3.793 -7.623 98 HA TRP 17 HA TRP 17 5.655 -6.152 -7.171 99 HB2 TRP 17 1HB TRP 17 7.174 -4.985 -5.576 100 HB3 TRP 17 2HB TRP 17 5.826 -3.957 -5.097 101 HD1 TRP 17 HD TRP 17 6.802 -7.706 -5.058 102 HE1 TRP 17 1HE TRP 17 5.645 -8.806 -3.040 103 HE3 TRP 17 3HE TRP 17 4.063 -3.713 -3.417 104 HZ2 TRP 17 2HZ TRP 17 3.813 -8.078 -1.019 105 HZ3 TRP 17 3HZ TRP 17 2.633 -3.998 -1.435 106 HH2 TRP 17 HH TRP 17 2.512 -6.136 -0.263 107 H CYS 18 H CYS 18 4.170 -2.994 -6.447 108 HA CYS 18 HA CYS 18 1.685 -4.035 -5.624 109 HB2 CYS 18 1HB CYS 18 2.449 -1.746 -5.098 110 HB3 CYS 18 2HB CYS 18 2.296 -1.314 -6.797 111 HG CYS 18 HG CYS 18 -0.375 -2.390 -4.961 112 H LYS 19 H LYS 19 2.411 -2.282 -8.646 113 HA LYS 19 HA LYS 19 0.109 -2.687 -10.022 114 HB2 LYS 19 1HB LYS 19 2.922 -2.843 -11.120 115 HB3 LYS 19 2HB LYS 19 1.477 -2.658 -12.106 116 HG2 LYS 19 1HG LYS 19 1.161 -0.484 -11.488 117 HG3 LYS 19 2HG LYS 19 1.950 -0.698 -9.923 118 HD2 LYS 19 1HD LYS 19 3.521 0.550 -11.055 119 HD3 LYS 19 2HD LYS 19 4.084 -1.091 -11.381 120 HE2 LYS 19 1HE LYS 19 2.161 0.206 -13.261 121 HE3 LYS 19 2HE LYS 19 3.865 0.653 -13.322 122 HZ1 LYS 19 1HZ LYS 19 4.308 -1.197 -14.426 123 HZ2 LYS 19 2HZ LYS 19 2.657 -1.562 -14.472 124 HZ3 LYS 19 3HZ LYS 19 3.619 -2.155 -13.213 125 H GLU 20 H GLU 20 2.436 -5.086 -9.156 126 HA GLU 20 HA GLU 20 1.656 -7.051 -11.075 127 HB2 GLU 20 1HB GLU 20 3.841 -6.895 -9.684 128 HB3 GLU 20 2HB GLU 20 2.913 -7.699 -8.426 129 HG2 GLU 20 1HG GLU 20 2.362 -9.365 -10.402 130 HG3 GLU 20 2HG GLU 20 3.885 -8.735 -11.027 131 H VAL 21 H VAL 21 0.965 -6.604 -7.612 132 HA VAL 21 HA VAL 21 -0.941 -8.762 -7.579 133 HB VAL 21 HB VAL 21 -1.153 -8.414 -5.295 134 HG11 VAL 21 1HG1 VAL 21 0.966 -8.785 -4.715 135 HG12 VAL 21 2HG1 VAL 21 1.394 -8.405 -6.385 136 HG13 VAL 21 3HG1 VAL 21 1.449 -7.146 -5.151 137 HG21 VAL 21 1HG2 VAL 21 -0.447 -5.544 -5.849 138 HG22 VAL 21 2HG2 VAL 21 -1.949 -6.194 -5.192 139 HG23 VAL 21 3HG2 VAL 21 -0.478 -6.216 -4.219 140 H THR 22 H THR 22 -1.027 -5.529 -8.523 141 HA THR 22 HA THR 22 -3.965 -5.481 -8.279 142 HB THR 22 HB THR 22 -3.883 -3.043 -8.163 143 HG1 THR 22 1HG THR 22 -1.073 -3.466 -8.317 144 HG21 THR 22 1HG2 THR 22 -2.940 -2.804 -5.927 145 HG22 THR 22 2HG2 THR 22 -2.051 -4.314 -6.125 146 HG23 THR 22 3HG2 THR 22 -3.813 -4.329 -6.068 147 H LYS 23 H LYS 23 -2.091 -6.423 -10.444 148 HA LYS 23 HA LYS 23 -1.908 -4.767 -12.615 149 HB2 LYS 23 1HB LYS 23 -2.255 -7.697 -12.277 150 HB3 LYS 23 2HB LYS 23 -2.526 -7.045 -13.888 151 HG2 LYS 23 1HG LYS 23 -0.212 -5.853 -13.383 152 HG3 LYS 23 2HG LYS 23 -0.025 -7.243 -12.312 153 HD2 LYS 23 1HD LYS 23 0.048 -8.737 -14.038 154 HD3 LYS 23 2HD LYS 23 -0.980 -7.749 -15.079 155 HE2 LYS 23 1HE LYS 23 1.915 -7.233 -14.409 156 HE3 LYS 23 2HE LYS 23 1.289 -7.829 -15.945 157 HZ1 LYS 23 1HZ LYS 23 -0.106 -5.520 -15.454 158 HZ2 LYS 23 2HZ LYS 23 1.160 -5.715 -16.559 159 HZ3 LYS 23 3HZ LYS 23 1.481 -5.152 -14.996 160 H ASN 24 H ASN 24 -4.618 -7.042 -12.131 161 HA ASN 24 HA ASN 24 -6.318 -5.175 -13.649 162 HB2 ASN 24 1HB ASN 24 -7.109 -8.029 -13.303 163 HB3 ASN 24 2HB ASN 24 -7.396 -6.940 -14.657 164 HD21 ASN 24 1HD2 ASN 24 -4.797 -6.067 -15.107 165 HD22 ASN 24 2HD2 ASN 24 -3.860 -7.394 -15.696 166 H TYR 25 H TYR 25 -6.435 -4.166 -11.409 167 HA TYR 25 HA TYR 25 -8.552 -5.478 -9.833 168 HB2 TYR 25 1HB TYR 25 -6.191 -3.826 -9.025 169 HB3 TYR 25 2HB TYR 25 -7.640 -3.793 -8.026 170 HD1 TYR 25 2HD TYR 25 -5.730 -6.470 -9.816 171 HD2 TYR 25 1HD TYR 25 -7.449 -5.127 -6.163 172 HE1 TYR 25 2HE TYR 25 -5.016 -8.553 -8.722 173 HE2 TYR 25 1HE TYR 25 -6.739 -7.207 -5.058 174 HH TYR 25 HH TYR 25 -4.519 -9.352 -6.431 175 H ARG 26 H ARG 26 -9.956 -3.900 -8.623 176 HA ARG 26 HA ARG 26 -11.329 -2.251 -10.386 177 HB2 ARG 26 1HB ARG 26 -12.331 -3.125 -8.336 178 HB3 ARG 26 2HB ARG 26 -11.254 -2.129 -7.367 179 HG2 ARG 26 1HG ARG 26 -13.194 -0.902 -7.332 180 HG3 ARG 26 2HG ARG 26 -12.326 -0.159 -8.676 181 HD2 ARG 26 1HD ARG 26 -14.184 -2.438 -9.195 182 HD3 ARG 26 2HD ARG 26 -14.841 -0.824 -8.931 183 HE ARG 26 HE ARG 26 -12.740 -0.996 -10.912 184 HH11 ARG 26 1HH1 ARG 26 -16.163 -1.049 -10.279 185 HH12 ARG 26 2HH1 ARG 26 -16.602 -0.621 -11.900 186 HH21 ARG 26 1HH2 ARG 26 -13.305 -0.432 -13.049 187 HH22 ARG 26 2HH2 ARG 26 -14.975 -0.271 -13.475 188 H GLY 27 H GLY 27 -10.362 -0.609 -11.428 189 HA2 GLY 27 1HA GLY 27 -8.978 1.225 -11.773 190 HA3 GLY 27 2HA GLY 27 -9.988 1.875 -10.491 191 H VAL 28 H VAL 28 -6.956 0.221 -11.182 192 HA VAL 28 HA VAL 28 -5.842 1.413 -8.738 193 HB VAL 28 HB VAL 28 -5.373 -1.428 -9.653 194 HG11 VAL 28 1HG1 VAL 28 -3.820 0.369 -7.950 195 HG12 VAL 28 2HG1 VAL 28 -4.206 -1.177 -7.192 196 HG13 VAL 28 3HG1 VAL 28 -3.351 -1.139 -8.735 197 HG21 VAL 28 1HG2 VAL 28 -6.407 -2.080 -7.573 198 HG22 VAL 28 2HG2 VAL 28 -6.594 -0.393 -7.096 199 HG23 VAL 28 3HG2 VAL 28 -7.509 -1.029 -8.463 200 H LYS 29 H LYS 29 -4.910 3.013 -10.074 201 HA LYS 29 HA LYS 29 -2.787 2.061 -11.877 202 HB2 LYS 29 1HB LYS 29 -4.318 3.441 -13.076 203 HB3 LYS 29 2HB LYS 29 -4.335 4.649 -11.798 204 HG2 LYS 29 1HG LYS 29 -2.994 5.642 -13.377 205 HG3 LYS 29 2HG LYS 29 -1.803 4.869 -12.329 206 HD2 LYS 29 1HD LYS 29 -2.108 2.863 -13.997 207 HD3 LYS 29 2HD LYS 29 -2.678 4.131 -15.084 208 HE2 LYS 29 1HE LYS 29 -0.455 4.184 -15.584 209 HE3 LYS 29 2HE LYS 29 -0.474 5.332 -14.246 210 HZ1 LYS 29 1HZ LYS 29 1.180 4.006 -13.518 211 HZ2 LYS 29 2HZ LYS 29 0.645 2.649 -14.374 212 HZ3 LYS 29 3HZ LYS 29 -0.098 3.076 -12.916 213 H ILE 30 H ILE 30 -1.004 1.858 -10.636 214 HA ILE 30 HA ILE 30 -0.361 3.829 -8.612 215 HB ILE 30 HB ILE 30 1.180 1.405 -9.548 216 HG12 ILE 30 1HG1 ILE 30 0.438 0.805 -7.049 217 HG13 ILE 30 2HG1 ILE 30 -0.889 1.885 -7.462 218 HG21 ILE 30 1HG2 ILE 30 2.911 2.345 -8.505 219 HG22 ILE 30 2HG2 ILE 30 1.904 3.616 -7.814 220 HG23 ILE 30 3HG2 ILE 30 2.033 2.056 -7.003 221 HD11 ILE 30 1HD1 ILE 30 -0.564 0.123 -9.631 222 HD12 ILE 30 2HD1 ILE 30 -0.516 -0.846 -8.158 223 HD13 ILE 30 3HD1 ILE 30 -1.895 0.206 -8.477 224 H THR 31 H THR 31 -0.311 5.528 -10.367 225 HA THR 31 HA THR 31 1.965 5.553 -12.124 226 HB THR 31 HB THR 31 -0.077 6.678 -12.820 227 HG1 THR 31 1HG THR 31 1.732 8.788 -12.336 228 HG21 THR 31 1HG2 THR 31 -1.267 8.055 -11.518 229 HG22 THR 31 2HG2 THR 31 0.155 9.010 -11.100 230 HG23 THR 31 3HG2 THR 31 -0.221 7.545 -10.194 231 H ASN 32 H ASN 32 1.247 6.668 -8.922 232 HA ASN 32 HA ASN 32 4.002 7.592 -8.648 233 HB2 ASN 32 1HB ASN 32 1.827 9.290 -7.469 234 HB3 ASN 32 2HB ASN 32 3.494 9.719 -7.840 235 HD21 ASN 32 1HD2 ASN 32 0.613 10.600 -8.638 236 HD22 ASN 32 2HD2 ASN 32 0.764 10.864 -10.339 237 H PHE 33 H PHE 33 4.220 8.343 -6.169 238 HA PHE 33 HA PHE 33 3.049 6.156 -4.581 239 HB2 PHE 33 1HB PHE 33 5.771 7.413 -4.557 240 HB3 PHE 33 2HB PHE 33 5.145 6.651 -3.099 241 HD1 PHE 33 2HD PHE 33 4.405 4.222 -3.253 242 HD2 PHE 33 1HD PHE 33 6.752 6.141 -6.240 243 HE1 PHE 33 2HE PHE 33 5.130 2.025 -4.090 244 HE2 PHE 33 1HE PHE 33 7.479 3.947 -7.083 245 HZ PHE 33 HZ PHE 33 6.669 1.885 -6.007 246 H THR 34 H THR 34 1.908 8.811 -5.044 247 HA THR 34 HA THR 34 1.778 9.690 -2.239 248 HB THR 34 HB THR 34 1.437 12.040 -3.105 249 HG1 THR 34 1HG THR 34 2.761 11.164 -5.445 250 HG21 THR 34 1HG2 THR 34 4.138 11.621 -3.992 251 HG22 THR 34 2HG2 THR 34 3.799 10.604 -2.592 252 HG23 THR 34 3HG2 THR 34 3.558 12.348 -2.495 253 H THR 35 H THR 35 0.174 10.672 -5.262 254 HA THR 35 HA THR 35 -2.382 10.819 -4.011 255 HB THR 35 HB THR 35 -3.253 11.191 -6.307 256 HG1 THR 35 1HG THR 35 -1.612 9.818 -7.325 257 HG21 THR 35 1HG2 THR 35 -1.367 13.121 -6.728 258 HG22 THR 35 2HG2 THR 35 -1.139 12.762 -5.016 259 HG23 THR 35 3HG2 THR 35 -2.722 13.263 -5.609 260 H SER 36 H SER 36 -0.826 8.490 -6.174 261 HA SER 36 HA SER 36 -2.976 6.844 -6.741 262 HB2 SER 36 1HB SER 36 -1.091 6.244 -7.929 263 HB3 SER 36 2HB SER 36 -0.027 6.412 -6.533 264 HG SER 36 HG SER 36 -0.212 4.337 -6.347 265 H TRP 37 H TRP 37 -1.267 7.265 -3.771 266 HA TRP 37 HA TRP 37 -2.698 4.971 -2.603 267 HB2 TRP 37 1HB TRP 37 -0.293 6.374 -1.431 268 HB3 TRP 37 2HB TRP 37 -1.000 4.845 -0.915 269 HD1 TRP 37 HD TRP 37 1.042 6.341 -3.822 270 HE1 TRP 37 1HE TRP 37 2.316 4.427 -4.979 271 HE3 TRP 37 3HE TRP 37 -0.948 2.383 -1.271 272 HZ2 TRP 37 2HZ TRP 37 2.458 1.611 -4.830 273 HZ3 TRP 37 3HZ TRP 37 -0.190 0.112 -1.839 274 HH2 TRP 37 HH TRP 37 1.477 -0.264 -3.582 275 H ARG 38 H ARG 38 -2.268 8.392 -2.533 276 HA ARG 38 HA ARG 38 -2.926 9.299 -0.109 277 HB2 ARG 38 1HB ARG 38 -2.749 10.825 -1.954 278 HB3 ARG 38 2HB ARG 38 -4.168 10.134 -2.730 279 HG2 ARG 38 1HG ARG 38 -5.329 10.884 -0.480 280 HG3 ARG 38 2HG ARG 38 -3.978 12.020 -0.448 281 HD2 ARG 38 1HD ARG 38 -5.887 11.660 -2.756 282 HD3 ARG 38 2HD ARG 38 -5.994 12.939 -1.547 283 HE ARG 38 HE ARG 38 -3.443 12.869 -2.830 284 HH11 ARG 38 1HH1 ARG 38 -6.734 13.954 -3.166 285 HH12 ARG 38 2HH1 ARG 38 -6.334 15.251 -4.243 286 HH21 ARG 38 1HH2 ARG 38 -2.904 14.573 -4.246 287 HH22 ARG 38 2HH2 ARG 38 -4.155 15.602 -4.857 288 H ASN 39 H ASN 39 -5.288 7.917 -2.377 289 HA ASN 39 HA ASN 39 -7.511 8.188 -0.639 290 HB2 ASN 39 1HB ASN 39 -8.397 6.277 -2.233 291 HB3 ASN 39 2HB ASN 39 -8.193 7.923 -2.825 292 HD21 ASN 39 1HD2 ASN 39 -8.053 7.015 -4.933 293 HD22 ASN 39 2HD2 ASN 39 -6.573 6.316 -5.488 294 H GLY 40 H GLY 40 -5.642 5.293 -1.584 295 HA2 GLY 40 1HA GLY 40 -4.845 3.857 0.263 296 HA3 GLY 40 2HA GLY 40 -6.416 4.104 1.010 297 H LEU 41 H LEU 41 -5.966 3.546 -2.421 298 HA LEU 41 HA LEU 41 -7.747 1.286 -2.315 299 HB2 LEU 41 1HB LEU 41 -6.351 2.790 -4.490 300 HB3 LEU 41 2HB LEU 41 -7.093 1.228 -4.833 301 HG LEU 41 HG LEU 41 -8.504 3.703 -3.838 302 HD11 LEU 41 1HD1 LEU 41 -8.956 2.287 -6.439 303 HD12 LEU 41 2HD1 LEU 41 -7.714 3.528 -6.275 304 HD13 LEU 41 3HD1 LEU 41 -9.405 3.928 -5.971 305 HD21 LEU 41 1HD2 LEU 41 -9.488 0.907 -4.363 306 HD22 LEU 41 2HD2 LEU 41 -10.555 2.309 -4.285 307 HD23 LEU 41 3HD2 LEU 41 -9.609 1.841 -2.872 308 H SER 42 H SER 42 -4.538 1.635 -3.834 309 HA SER 42 HA SER 42 -3.946 -1.017 -4.173 310 HB2 SER 42 1HB SER 42 -1.990 1.156 -3.383 311 HB3 SER 42 2HB SER 42 -1.574 -0.376 -4.151 312 HG SER 42 HG SER 42 -3.314 1.558 -5.284 313 H PHE 43 H PHE 43 -3.539 0.925 -1.254 314 HA PHE 43 HA PHE 43 -2.092 -0.860 0.303 315 HB2 PHE 43 1HB PHE 43 -4.013 1.345 0.893 316 HB3 PHE 43 2HB PHE 43 -3.551 0.274 2.212 317 HD1 PHE 43 2HD PHE 43 -0.850 -0.219 2.120 318 HD2 PHE 43 1HD PHE 43 -2.848 3.306 0.815 319 HE1 PHE 43 2HE PHE 43 1.221 1.070 2.441 320 HE2 PHE 43 1HE PHE 43 -0.780 4.600 1.132 321 HZ PHE 43 HZ PHE 43 1.258 3.483 1.947 322 H CYS 44 H CYS 44 -5.600 -0.614 -0.147 323 HA CYS 44 HA CYS 44 -6.159 -2.816 1.605 324 HB2 CYS 44 1HB CYS 44 -7.812 -1.166 -0.290 325 HB3 CYS 44 2HB CYS 44 -8.479 -2.602 0.478 326 HG CYS 44 HG CYS 44 -7.931 0.435 1.750 327 H ALA 45 H ALA 45 -6.173 -2.338 -1.915 328 HA ALA 45 HA ALA 45 -7.032 -4.858 -2.694 329 HB1 ALA 45 1HB ALA 45 -5.028 -3.977 -4.518 330 HB2 ALA 45 2HB ALA 45 -6.782 -3.936 -4.695 331 HB3 ALA 45 3HB ALA 45 -5.939 -2.577 -3.952 332 H ILE 46 H ILE 46 -3.658 -3.741 -2.361 333 HA ILE 46 HA ILE 46 -2.295 -6.018 -2.964 334 HB ILE 46 HB ILE 46 -1.703 -4.033 -0.773 335 HG12 ILE 46 1HG1 ILE 46 -0.369 -4.367 -3.460 336 HG13 ILE 46 2HG1 ILE 46 -1.762 -3.319 -3.219 337 HG21 ILE 46 1HG2 ILE 46 0.655 -4.937 -0.978 338 HG22 ILE 46 2HG2 ILE 46 -0.506 -5.963 -0.137 339 HG23 ILE 46 3HG2 ILE 46 -0.054 -6.325 -1.803 340 HD11 ILE 46 1HD1 ILE 46 1.004 -3.044 -2.114 341 HD12 ILE 46 2HD1 ILE 46 0.070 -1.897 -3.075 342 HD13 ILE 46 3HD1 ILE 46 -0.367 -2.202 -1.394 343 H LEU 47 H LEU 47 -3.391 -5.171 0.326 344 HA LEU 47 HA LEU 47 -2.659 -7.552 1.566 345 HB2 LEU 47 1HB LEU 47 -3.356 -5.488 2.730 346 HB3 LEU 47 2HB LEU 47 -5.019 -5.797 2.232 347 HG LEU 47 HG LEU 47 -4.915 -7.931 3.550 348 HD11 LEU 47 1HD1 LEU 47 -2.310 -6.724 4.457 349 HD12 LEU 47 2HD1 LEU 47 -2.558 -8.288 3.680 350 HD13 LEU 47 3HD1 LEU 47 -3.156 -8.012 5.316 351 HD21 LEU 47 1HD2 LEU 47 -5.807 -5.634 4.320 352 HD22 LEU 47 2HD2 LEU 47 -4.361 -5.586 5.329 353 HD23 LEU 47 3HD2 LEU 47 -5.535 -6.888 5.530 354 H HIS 48 H HIS 48 -5.465 -6.769 -0.364 355 HA HIS 48 HA HIS 48 -7.025 -9.032 0.354 356 HB2 HIS 48 1HB HIS 48 -7.692 -6.810 -0.879 357 HB3 HIS 48 2HB HIS 48 -7.268 -7.718 -2.327 358 HD1 HIS 48 1HD HIS 48 -8.769 -9.768 -2.919 359 HD2 HIS 48 2HD HIS 48 -10.079 -7.544 0.337 360 HE1 HIS 48 1HE HIS 48 -11.133 -10.518 -2.500 361 HE2 HIS 48 2HE HIS 48 -11.933 -9.099 -0.579 362 H HIS 49 H HIS 49 -4.715 -8.381 -2.241 363 HA HIS 49 HA HIS 49 -5.054 -10.563 -3.860 364 HB2 HIS 49 1HB HIS 49 -3.413 -8.709 -4.214 365 HB3 HIS 49 2HB HIS 49 -2.366 -9.463 -3.016 366 HD1 HIS 49 1HD HIS 49 -4.241 -11.157 -5.850 367 HD2 HIS 49 2HD HIS 49 -0.356 -10.437 -4.565 368 HE1 HIS 49 1HE HIS 49 -2.762 -12.448 -7.422 369 HE2 HIS 49 2HE HIS 49 -0.422 -12.066 -6.574 370 H PHE 50 H PHE 50 -3.306 -10.414 -0.791 371 HA PHE 50 HA PHE 50 -2.437 -13.143 -0.920 372 HB2 PHE 50 1HB PHE 50 -2.560 -11.351 1.510 373 HB3 PHE 50 2HB PHE 50 -1.569 -12.791 1.302 374 HD1 PHE 50 2HD PHE 50 -2.016 -9.284 0.303 375 HD2 PHE 50 1HD PHE 50 0.494 -12.716 0.115 376 HE1 PHE 50 2HE PHE 50 -0.183 -7.891 -0.565 377 HE2 PHE 50 1HE PHE 50 2.332 -11.328 -0.753 378 HZ PHE 50 HZ PHE 50 1.994 -8.913 -1.095 379 H ARG 51 H ARG 51 -4.851 -11.405 1.038 380 HA ARG 51 HA ARG 51 -6.330 -13.931 1.301 381 HB2 ARG 51 1HB ARG 51 -5.318 -12.152 3.450 382 HB3 ARG 51 2HB ARG 51 -6.944 -12.790 3.653 383 HG2 ARG 51 1HG ARG 51 -4.414 -14.379 3.292 384 HG3 ARG 51 2HG ARG 51 -5.376 -14.227 4.764 385 HD2 ARG 51 1HD ARG 51 -7.285 -15.128 3.161 386 HD3 ARG 51 2HD ARG 51 -5.901 -15.796 2.296 387 HE ARG 51 HE ARG 51 -5.958 -16.325 5.140 388 HH11 ARG 51 1HH1 ARG 51 -6.796 -17.436 1.949 389 HH12 ARG 51 2HH1 ARG 51 -6.907 -19.101 2.416 390 HH21 ARG 51 1HH2 ARG 51 -6.101 -18.513 5.767 391 HH22 ARG 51 2HH2 ARG 51 -6.513 -19.712 4.588 392 HA PRO 52 HA PRO 52 -9.314 -10.980 -0.369 393 HB2 PRO 52 1HB PRO 52 -11.057 -12.888 -1.202 394 HB3 PRO 52 2HB PRO 52 -9.616 -12.435 -2.121 395 HG2 PRO 52 1HG PRO 52 -10.038 -14.763 -0.287 396 HG3 PRO 52 2HG PRO 52 -9.235 -14.715 -1.867 397 HD2 PRO 52 1HD PRO 52 -7.861 -14.720 0.467 398 HD3 PRO 52 2HD PRO 52 -7.274 -13.883 -0.985 399 H ASP 53 H ASP 53 -9.293 -12.813 2.362 400 HA ASP 53 HA ASP 53 -12.044 -12.028 3.073 401 HB2 ASP 53 1HB ASP 53 -10.508 -14.309 4.320 402 HB3 ASP 53 2HB ASP 53 -12.219 -13.934 4.504 403 H LEU 54 H LEU 54 -9.653 -10.411 3.302 404 HA LEU 54 HA LEU 54 -9.453 -10.203 6.235 405 HB2 LEU 54 1HB LEU 54 -7.466 -9.786 4.057 406 HB3 LEU 54 2HB LEU 54 -7.335 -8.807 5.517 407 HG LEU 54 HG LEU 54 -7.275 -11.823 5.426 408 HD11 LEU 54 1HD1 LEU 54 -4.949 -10.143 6.208 409 HD12 LEU 54 2HD1 LEU 54 -5.303 -10.352 4.493 410 HD13 LEU 54 3HD1 LEU 54 -4.992 -11.761 5.508 411 HD21 LEU 54 1HD2 LEU 54 -7.450 -11.816 7.642 412 HD22 LEU 54 2HD2 LEU 54 -7.917 -10.119 7.532 413 HD23 LEU 54 3HD2 LEU 54 -6.228 -10.554 7.798 414 H ILE 55 H ILE 55 -9.744 -8.415 3.206 415 HA ILE 55 HA ILE 55 -10.660 -6.081 4.756 416 HB ILE 55 HB ILE 55 -9.726 -5.741 1.950 417 HG12 ILE 55 1HG1 ILE 55 -7.421 -5.225 3.208 418 HG13 ILE 55 2HG1 ILE 55 -8.012 -6.507 4.260 419 HG21 ILE 55 1HG2 ILE 55 -10.094 -4.113 4.386 420 HG22 ILE 55 2HG2 ILE 55 -8.748 -3.668 3.337 421 HG23 ILE 55 3HG2 ILE 55 -10.390 -3.711 2.695 422 HD11 ILE 55 1HD1 ILE 55 -6.721 -6.721 1.748 423 HD12 ILE 55 2HD1 ILE 55 -7.275 -8.008 2.821 424 HD13 ILE 55 3HD1 ILE 55 -8.356 -7.362 1.587 425 H ASP 56 H ASP 56 -12.047 -4.594 3.250 426 HA ASP 56 HA ASP 56 -14.104 -6.315 2.042 427 HB2 ASP 56 1HB ASP 56 -14.755 -4.925 4.026 428 HB3 ASP 56 2HB ASP 56 -14.430 -3.488 3.061 429 H TYR 57 H TYR 57 -11.630 -5.189 0.776 430 HA TYR 57 HA TYR 57 -12.073 -3.059 -0.900 431 HB2 TYR 57 1HB TYR 57 -9.943 -4.381 -0.667 432 HB3 TYR 57 2HB TYR 57 -10.649 -5.593 -1.730 433 HD1 TYR 57 2HD TYR 57 -11.463 -4.745 -4.052 434 HD2 TYR 57 1HD TYR 57 -8.727 -2.624 -1.579 435 HE1 TYR 57 2HE TYR 57 -10.667 -3.495 -6.015 436 HE2 TYR 57 1HE TYR 57 -7.924 -1.367 -3.535 437 HH TYR 57 HH TYR 57 -8.086 -2.138 -6.409 438 H LYS 58 H LYS 58 -13.409 -6.262 -1.076 439 HA LYS 58 HA LYS 58 -14.189 -6.418 -3.729 440 HB2 LYS 58 1HB LYS 58 -15.780 -8.050 -3.052 441 HB3 LYS 58 2HB LYS 58 -14.415 -8.201 -1.953 442 HG2 LYS 58 1HG LYS 58 -15.584 -7.236 -0.179 443 HG3 LYS 58 2HG LYS 58 -16.809 -6.544 -1.245 444 HD2 LYS 58 1HD LYS 58 -16.461 -9.510 -1.104 445 HD3 LYS 58 2HD LYS 58 -17.357 -8.670 0.163 446 HE2 LYS 58 1HE LYS 58 -17.965 -8.319 -2.761 447 HE3 LYS 58 2HE LYS 58 -18.710 -9.583 -1.783 448 HZ1 LYS 58 1HZ LYS 58 -18.905 -7.085 -0.470 449 HZ2 LYS 58 2HZ LYS 58 -20.143 -8.122 -0.973 450 HZ3 LYS 58 3HZ LYS 58 -19.532 -6.956 -2.036 451 H SER 59 H SER 59 -15.513 -4.519 -1.126 452 HA SER 59 HA SER 59 -17.450 -3.368 -3.021 453 HB2 SER 59 1HB SER 59 -18.593 -4.823 -1.354 454 HB3 SER 59 2HB SER 59 -17.944 -3.808 -0.066 455 HG SER 59 HG SER 59 -20.008 -3.104 -0.559 456 H LEU 60 H LEU 60 -14.817 -2.438 -2.469 457 HA LEU 60 HA LEU 60 -15.254 -0.059 -0.813 458 HB2 LEU 60 1HB LEU 60 -12.816 -1.469 -1.823 459 HB3 LEU 60 2HB LEU 60 -12.722 0.209 -1.294 460 HG LEU 60 HG LEU 60 -13.363 -2.228 0.347 461 HD11 LEU 60 1HD1 LEU 60 -11.404 -0.113 1.078 462 HD12 LEU 60 2HD1 LEU 60 -10.976 -1.261 -0.191 463 HD13 LEU 60 3HD1 LEU 60 -11.385 -1.843 1.423 464 HD21 LEU 60 1HD2 LEU 60 -13.811 0.675 0.997 465 HD22 LEU 60 2HD2 LEU 60 -13.643 -0.572 2.232 466 HD23 LEU 60 3HD2 LEU 60 -14.971 -0.652 1.073 467 H ASN 61 H ASN 61 -13.881 1.895 -1.727 468 HA ASN 61 HA ASN 61 -13.886 2.181 -4.579 469 HB2 ASN 61 1HB ASN 61 -16.122 3.285 -2.938 470 HB3 ASN 61 2HB ASN 61 -15.508 4.260 -4.270 471 HD21 ASN 61 1HD2 ASN 61 -14.917 2.410 -6.153 472 HD22 ASN 61 2HD2 ASN 61 -16.351 1.587 -6.654 473 HA PRO 62 HA PRO 62 -10.956 5.326 -3.700 474 HB2 PRO 62 1HB PRO 62 -11.372 7.099 -5.714 475 HB3 PRO 62 2HB PRO 62 -10.621 5.518 -5.965 476 HG2 PRO 62 1HG PRO 62 -13.451 6.368 -6.445 477 HG3 PRO 62 2HG PRO 62 -12.397 5.365 -7.458 478 HD2 PRO 62 1HD PRO 62 -14.299 4.311 -5.844 479 HD3 PRO 62 2HD PRO 62 -12.774 3.473 -6.196 480 H GLN 63 H GLN 63 -14.147 5.791 -3.141 481 HA GLN 63 HA GLN 63 -14.161 8.645 -2.746 482 HB2 GLN 63 1HB GLN 63 -16.389 8.174 -1.657 483 HB3 GLN 63 2HB GLN 63 -16.248 7.672 -3.337 484 HG2 GLN 63 1HG GLN 63 -17.408 6.022 -1.936 485 HG3 GLN 63 2HG GLN 63 -15.944 5.381 -2.680 486 HE21 GLN 63 1HE2 GLN 63 -15.395 3.841 -1.256 487 HE22 GLN 63 2HE2 GLN 63 -15.031 4.126 0.409 488 H ASP 64 H ASP 64 -13.248 5.887 -0.931 489 HA ASP 64 HA ASP 64 -13.347 7.375 1.594 490 HB2 ASP 64 1HB ASP 64 -13.229 4.484 0.875 491 HB3 ASP 64 2HB ASP 64 -12.493 4.983 2.395 492 H ILE 65 H ILE 65 -11.599 8.490 2.122 493 HA ILE 65 HA ILE 65 -8.992 7.665 1.070 494 HB ILE 65 HB ILE 65 -9.887 10.248 2.349 495 HG12 ILE 65 1HG1 ILE 65 -9.080 9.502 -0.468 496 HG13 ILE 65 2HG1 ILE 65 -10.673 10.016 0.076 497 HG21 ILE 65 1HG2 ILE 65 -7.566 9.678 2.962 498 HG22 ILE 65 2HG2 ILE 65 -7.166 9.561 1.250 499 HG23 ILE 65 3HG2 ILE 65 -7.666 11.107 1.934 500 HD11 ILE 65 1HD1 ILE 65 -9.716 12.221 0.643 501 HD12 ILE 65 2HD1 ILE 65 -8.177 11.689 -0.034 502 HD13 ILE 65 3HD1 ILE 65 -9.597 11.823 -1.071 503 H LYS 66 H LYS 66 -10.434 8.770 4.137 504 HA LYS 66 HA LYS 66 -8.160 7.987 5.685 505 HB2 LYS 66 1HB LYS 66 -9.815 9.809 6.281 506 HB3 LYS 66 2HB LYS 66 -10.949 8.533 6.703 507 HG2 LYS 66 1HG LYS 66 -9.091 7.682 8.262 508 HG3 LYS 66 2HG LYS 66 -8.378 9.282 8.040 509 HD2 LYS 66 1HD LYS 66 -11.256 9.015 8.814 510 HD3 LYS 66 2HD LYS 66 -9.992 8.855 10.036 511 HE2 LYS 66 1HE LYS 66 -9.330 11.050 9.830 512 HE3 LYS 66 2HE LYS 66 -9.924 11.185 8.176 513 HZ1 LYS 66 1HZ LYS 66 -11.556 12.328 9.199 514 HZ2 LYS 66 2HZ LYS 66 -11.335 11.561 10.690 515 HZ3 LYS 66 3HZ LYS 66 -12.204 10.787 9.462 516 H GLU 67 H GLU 67 -11.413 6.646 5.195 517 HA GLU 67 HA GLU 67 -11.182 4.468 6.934 518 HB2 GLU 67 1HB GLU 67 -13.304 5.243 5.904 519 HB3 GLU 67 2HB GLU 67 -12.762 4.600 4.361 520 HG2 GLU 67 1HG GLU 67 -12.948 2.394 5.072 521 HG3 GLU 67 2HG GLU 67 -12.957 2.846 6.776 522 H ASN 68 H ASN 68 -10.982 4.329 3.373 523 HA ASN 68 HA ASN 68 -10.124 1.811 2.973 524 HB2 ASN 68 1HB ASN 68 -9.486 4.380 1.607 525 HB3 ASN 68 2HB ASN 68 -8.536 2.965 1.162 526 HD21 ASN 68 1HD2 ASN 68 -9.746 3.726 -0.885 527 HD22 ASN 68 2HD2 ASN 68 -11.229 2.901 -1.209 528 H ASN 69 H ASN 69 -8.036 4.518 3.928 529 HA ASN 69 HA ASN 69 -5.627 3.042 3.957 530 HB2 ASN 69 1HB ASN 69 -6.528 5.675 5.025 531 HB3 ASN 69 2HB ASN 69 -5.039 4.993 5.674 532 HD21 ASN 69 1HD2 ASN 69 -6.651 5.626 2.583 533 HD22 ASN 69 2HD2 ASN 69 -5.218 6.084 1.734 534 H LYS 70 H LYS 70 -7.817 4.013 6.591 535 HA LYS 70 HA LYS 70 -6.494 2.888 8.730 536 HB2 LYS 70 1HB LYS 70 -8.453 4.267 9.048 537 HB3 LYS 70 2HB LYS 70 -9.467 3.089 8.226 538 HG2 LYS 70 1HG LYS 70 -9.928 2.722 10.463 539 HG3 LYS 70 2HG LYS 70 -8.736 1.475 10.091 540 HD2 LYS 70 1HD LYS 70 -6.994 2.711 11.138 541 HD3 LYS 70 2HD LYS 70 -8.009 4.149 11.271 542 HE2 LYS 70 1HE LYS 70 -8.548 1.531 12.666 543 HE3 LYS 70 2HE LYS 70 -7.743 2.913 13.408 544 HZ1 LYS 70 1HZ LYS 70 -9.761 3.596 13.982 545 HZ2 LYS 70 2HZ LYS 70 -10.526 2.447 13.005 546 HZ3 LYS 70 3HZ LYS 70 -10.053 3.933 12.350 547 H LYS 71 H LYS 71 -8.983 1.327 6.712 548 HA LYS 71 HA LYS 71 -9.179 -1.126 7.839 549 HB2 LYS 71 1HB LYS 71 -8.908 -0.613 4.871 550 HB3 LYS 71 2HB LYS 71 -9.631 -2.037 5.607 551 HG2 LYS 71 1HG LYS 71 -11.157 -0.207 6.764 552 HG3 LYS 71 2HG LYS 71 -10.704 0.711 5.326 553 HD2 LYS 71 1HD LYS 71 -11.818 -0.697 3.909 554 HD3 LYS 71 2HD LYS 71 -11.609 -2.098 4.961 555 HE2 LYS 71 1HE LYS 71 -13.250 -1.076 6.532 556 HE3 LYS 71 2HE LYS 71 -13.528 0.197 5.345 557 HZ1 LYS 71 1HZ LYS 71 -14.061 -2.703 4.999 558 HZ2 LYS 71 2HZ LYS 71 -14.192 -1.559 3.760 559 HZ3 LYS 71 3HZ LYS 71 -15.209 -1.464 5.109 560 H ALA 72 H ALA 72 -6.770 -0.352 5.321 561 HA ALA 72 HA ALA 72 -5.351 -2.709 5.344 562 HB1 ALA 72 1HB ALA 72 -3.382 -0.815 4.981 563 HB2 ALA 72 2HB ALA 72 -4.410 -1.501 3.722 564 HB3 ALA 72 3HB ALA 72 -4.854 0.024 4.489 565 H TYR 73 H TYR 73 -4.188 0.218 7.017 566 HA TYR 73 HA TYR 73 -2.169 -0.684 8.490 567 HB2 TYR 73 1HB TYR 73 -4.405 0.971 9.679 568 HB3 TYR 73 2HB TYR 73 -2.743 0.900 10.256 569 HD1 TYR 73 1HD TYR 73 -1.361 0.973 7.567 570 HD2 TYR 73 2HD TYR 73 -4.573 3.267 9.155 571 HE1 TYR 73 1HE TYR 73 -0.761 2.834 6.076 572 HE2 TYR 73 2HE TYR 73 -3.983 5.134 7.667 573 HH TYR 73 HH TYR 73 -2.000 5.960 6.448 574 H ASP 74 H ASP 74 -5.546 -1.017 9.583 575 HA ASP 74 HA ASP 74 -5.156 -2.410 11.913 576 HB2 ASP 74 1HB ASP 74 -7.352 -1.602 10.915 577 HB3 ASP 74 2HB ASP 74 -7.360 -3.086 9.967 578 H GLY 75 H GLY 75 -5.319 -3.725 8.622 579 HA2 GLY 75 1HA GLY 75 -4.917 -6.434 9.518 580 HA3 GLY 75 2HA GLY 75 -4.945 -5.878 7.851 581 H PHE 76 H PHE 76 -2.936 -4.144 7.634 582 HA PHE 76 HA PHE 76 -0.673 -5.671 7.324 583 HB2 PHE 76 1HB PHE 76 -1.021 -2.703 7.697 584 HB3 PHE 76 2HB PHE 76 0.563 -3.416 7.408 585 HD1 PHE 76 1HD PHE 76 0.195 -5.390 5.411 586 HD2 PHE 76 2HD PHE 76 -1.775 -1.639 5.815 587 HE1 PHE 76 1HE PHE 76 -0.232 -5.357 2.988 588 HE2 PHE 76 2HE PHE 76 -2.205 -1.600 3.393 589 HZ PHE 76 HZ PHE 76 -1.434 -3.461 1.976 590 H ALA 77 H ALA 77 -1.386 -3.467 10.028 591 HA ALA 77 HA ALA 77 0.949 -4.078 11.499 592 HB1 ALA 77 1HB ALA 77 -0.835 -3.256 13.397 593 HB2 ALA 77 2HB ALA 77 0.155 -2.189 12.400 594 HB3 ALA 77 3HB ALA 77 -1.506 -2.549 11.927 595 H SER 78 H SER 78 -2.269 -5.486 11.411 596 HA SER 78 HA SER 78 -2.395 -6.963 13.692 597 HB2 SER 78 1HB SER 78 -4.122 -6.923 11.885 598 HB3 SER 78 2HB SER 78 -3.117 -8.034 10.954 599 HG SER 78 HG SER 78 -4.910 -8.728 12.646 600 H ILE 79 H ILE 79 -0.758 -7.959 10.692 601 HA ILE 79 HA ILE 79 0.256 -10.383 11.766 602 HB ILE 79 HB ILE 79 1.836 -10.277 9.784 603 HG12 ILE 79 1HG1 ILE 79 0.125 -7.908 9.011 604 HG13 ILE 79 2HG1 ILE 79 1.761 -7.762 9.645 605 HG21 ILE 79 1HG2 ILE 79 0.111 -10.836 8.200 606 HG22 ILE 79 2HG2 ILE 79 -0.344 -11.448 9.790 607 HG23 ILE 79 3HG2 ILE 79 -1.098 -9.983 9.160 608 HD11 ILE 79 1HD1 ILE 79 2.682 -8.276 7.684 609 HD12 ILE 79 2HD1 ILE 79 1.542 -9.588 7.384 610 HD13 ILE 79 3HD1 ILE 79 1.090 -7.925 7.011 611 H GLY 80 H GLY 80 1.583 -7.124 11.425 612 HA2 GLY 80 1HA GLY 80 3.094 -6.815 13.553 613 HA3 GLY 80 2HA GLY 80 4.083 -7.980 12.686 614 H ILE 81 H ILE 81 2.196 -5.463 11.132 615 HA ILE 81 HA ILE 81 4.714 -4.265 10.196 616 HB ILE 81 HB ILE 81 1.960 -4.075 8.971 617 HG12 ILE 81 1HG1 ILE 81 4.404 -5.621 8.079 618 HG13 ILE 81 2HG1 ILE 81 2.951 -6.323 8.782 619 HG21 ILE 81 1HG2 ILE 81 4.228 -3.385 7.296 620 HG22 ILE 81 2HG2 ILE 81 2.728 -2.506 7.587 621 HG23 ILE 81 3HG2 ILE 81 4.082 -2.331 8.703 622 HD11 ILE 81 1HD1 ILE 81 1.687 -5.912 6.889 623 HD12 ILE 81 2HD1 ILE 81 2.796 -4.675 6.295 624 HD13 ILE 81 3HD1 ILE 81 3.256 -6.376 6.233 625 H SER 82 H SER 82 5.172 -2.736 11.710 626 HA SER 82 HA SER 82 3.558 -1.181 13.232 627 HB2 SER 82 1HB SER 82 6.205 -0.611 11.940 628 HB3 SER 82 2HB SER 82 5.395 0.650 12.871 629 HG SER 82 HG SER 82 6.447 -0.336 14.436 630 H ARG 83 H ARG 83 2.809 1.031 13.066 631 HA ARG 83 HA ARG 83 1.721 1.577 10.407 632 HB2 ARG 83 1HB ARG 83 0.942 2.340 13.193 633 HB3 ARG 83 2HB ARG 83 0.417 3.349 11.851 634 HG2 ARG 83 1HG ARG 83 -1.363 1.941 12.010 635 HG3 ARG 83 2HG ARG 83 -0.370 1.041 10.861 636 HD2 ARG 83 1HD ARG 83 -1.030 -0.564 12.424 637 HD3 ARG 83 2HD ARG 83 0.607 -0.133 12.915 638 HE ARG 83 HE ARG 83 -0.240 0.818 14.837 639 HH11 ARG 83 1HH1 ARG 83 -2.832 0.014 12.658 640 HH12 ARG 83 2HH1 ARG 83 -4.077 0.276 13.834 641 HH21 ARG 83 1HH2 ARG 83 -1.869 1.167 16.395 642 HH22 ARG 83 2HH2 ARG 83 -3.528 0.933 15.959 643 H LEU 84 H LEU 84 3.441 2.551 9.361 644 HA LEU 84 HA LEU 84 4.855 4.759 10.553 645 HB2 LEU 84 1HB LEU 84 4.895 3.506 7.820 646 HB3 LEU 84 2HB LEU 84 5.844 4.936 8.221 647 HG LEU 84 HG LEU 84 6.973 3.585 10.001 648 HD11 LEU 84 1HD1 LEU 84 5.343 1.864 10.357 649 HD12 LEU 84 2HD1 LEU 84 6.825 1.118 9.761 650 HD13 LEU 84 3HD1 LEU 84 5.455 1.345 8.675 651 HD21 LEU 84 1HD2 LEU 84 8.515 3.514 8.406 652 HD22 LEU 84 2HD2 LEU 84 7.286 3.458 7.142 653 HD23 LEU 84 3HD2 LEU 84 7.842 1.964 7.899 654 H LEU 85 H LEU 85 2.451 4.338 7.983 655 HA LEU 85 HA LEU 85 2.182 7.245 7.761 656 HB2 LEU 85 1HB LEU 85 2.429 5.786 5.728 657 HB3 LEU 85 2HB LEU 85 0.838 5.124 6.099 658 HG LEU 85 HG LEU 85 -0.079 7.449 5.874 659 HD11 LEU 85 1HD1 LEU 85 1.177 9.221 5.206 660 HD12 LEU 85 2HD1 LEU 85 2.341 8.216 4.343 661 HD13 LEU 85 3HD1 LEU 85 2.412 8.335 6.101 662 HD21 LEU 85 1HD2 LEU 85 -0.397 5.908 4.083 663 HD22 LEU 85 2HD2 LEU 85 1.258 6.132 3.517 664 HD23 LEU 85 3HD2 LEU 85 0.092 7.448 3.377 665 H GLU 86 H GLU 86 0.129 8.265 7.902 666 HA GLU 86 HA GLU 86 -1.776 6.793 9.598 667 HB2 GLU 86 1HB GLU 86 -1.329 9.777 9.400 668 HB3 GLU 86 2HB GLU 86 -2.477 8.979 10.466 669 HG2 GLU 86 1HG GLU 86 0.521 8.755 10.569 670 HG3 GLU 86 2HG GLU 86 -0.514 9.625 11.700 671 HA PRO 87 HA PRO 87 -4.835 7.108 6.455 672 HB2 PRO 87 1HB PRO 87 -7.072 7.006 7.990 673 HB3 PRO 87 2HB PRO 87 -6.049 5.597 7.689 674 HG2 PRO 87 1HG PRO 87 -6.127 7.406 10.072 675 HG3 PRO 87 2HG PRO 87 -6.009 5.638 10.013 676 HD2 PRO 87 1HD PRO 87 -3.858 7.229 10.434 677 HD3 PRO 87 2HD PRO 87 -3.746 5.679 9.576 678 H SER 88 H SER 88 -5.591 9.080 9.336 679 HA SER 88 HA SER 88 -7.247 10.929 8.063 680 HB2 SER 88 1HB SER 88 -6.807 12.394 9.994 681 HB3 SER 88 2HB SER 88 -7.096 10.732 10.506 682 HG SER 88 HG SER 88 -4.974 12.253 10.986 683 H ASP 89 H ASP 89 -3.774 11.191 8.810 684 HA ASP 89 HA ASP 89 -3.103 13.627 7.918 685 HB2 ASP 89 1HB ASP 89 -1.674 11.036 7.304 686 HB3 ASP 89 2HB ASP 89 -0.970 12.627 7.029 687 H MET 90 H MET 90 -3.728 10.847 5.801 688 HA MET 90 HA MET 90 -3.151 12.052 3.359 689 HB2 MET 90 1HB MET 90 -5.278 9.979 3.927 690 HB3 MET 90 2HB MET 90 -4.579 10.335 2.353 691 HG2 MET 90 1HG MET 90 -2.822 9.499 4.617 692 HG3 MET 90 2HG MET 90 -3.740 8.298 3.712 693 HE1 MET 90 1HE MET 90 -3.057 7.284 1.601 694 HE2 MET 90 2HE MET 90 -1.391 7.424 1.038 695 HE3 MET 90 3HE MET 90 -1.723 6.941 2.702 696 H VAL 91 H VAL 91 -6.158 12.025 5.226 697 HA VAL 91 HA VAL 91 -7.654 13.474 3.265 698 HB VAL 91 HB VAL 91 -8.242 13.054 6.200 699 HG11 VAL 91 1HG1 VAL 91 -9.401 14.921 4.692 700 HG12 VAL 91 2HG1 VAL 91 -10.387 13.537 4.216 701 HG13 VAL 91 3HG1 VAL 91 -10.283 14.005 5.913 702 HG21 VAL 91 1HG2 VAL 91 -8.287 10.911 5.395 703 HG22 VAL 91 2HG2 VAL 91 -9.940 11.409 5.036 704 HG23 VAL 91 3HG2 VAL 91 -8.721 11.414 3.761 705 H LEU 92 H LEU 92 -6.280 14.349 6.434 706 HA LEU 92 HA LEU 92 -6.988 16.936 6.706 707 HB2 LEU 92 1HB LEU 92 -4.182 15.906 7.098 708 HB3 LEU 92 2HB LEU 92 -4.874 17.347 7.841 709 HG LEU 92 HG LEU 92 -5.870 14.546 8.348 710 HD11 LEU 92 1HD1 LEU 92 -3.527 15.899 9.343 711 HD12 LEU 92 2HD1 LEU 92 -4.070 14.243 9.611 712 HD13 LEU 92 3HD1 LEU 92 -4.658 15.542 10.648 713 HD21 LEU 92 1HD2 LEU 92 -7.608 15.960 8.913 714 HD22 LEU 92 2HD2 LEU 92 -6.527 17.259 9.419 715 HD23 LEU 92 3HD2 LEU 92 -6.727 15.831 10.436 716 H LEU 93 H LEU 93 -3.940 16.061 5.066 717 HA LEU 93 HA LEU 93 -3.994 18.621 3.668 718 HB2 LEU 93 1HB LEU 93 -1.716 17.924 2.903 719 HB3 LEU 93 2HB LEU 93 -1.901 18.115 4.645 720 HG LEU 93 HG LEU 93 -2.100 15.638 4.829 721 HD11 LEU 93 1HD1 LEU 93 -0.889 14.707 2.551 722 HD12 LEU 93 2HD1 LEU 93 -2.043 15.885 1.927 723 HD13 LEU 93 3HD1 LEU 93 -2.601 14.557 2.944 724 HD21 LEU 93 1HD2 LEU 93 0.007 16.214 5.428 725 HD22 LEU 93 2HD2 LEU 93 0.309 17.101 3.934 726 HD23 LEU 93 3HD2 LEU 93 0.408 15.340 3.950 727 H ALA 94 H ALA 94 -3.008 18.408 1.324 728 HA ALA 94 HA ALA 94 -4.895 16.767 -0.152 729 HB1 ALA 94 1HB ALA 94 -2.864 18.720 -1.223 730 HB2 ALA 94 2HB ALA 94 -4.246 18.040 -2.082 731 HB3 ALA 94 3HB ALA 94 -4.503 19.149 -0.735 732 H ILE 95 H ILE 95 -1.386 17.380 -0.426 733 HA ILE 95 HA ILE 95 -1.077 14.728 -1.634 734 HB ILE 95 HB ILE 95 1.030 16.873 -1.420 735 HG12 ILE 95 1HG1 ILE 95 -0.768 17.865 -2.652 736 HG13 ILE 95 2HG1 ILE 95 0.440 17.350 -3.825 737 HG21 ILE 95 1HG2 ILE 95 1.790 14.565 -1.855 738 HG22 ILE 95 2HG2 ILE 95 0.772 14.526 -3.294 739 HG23 ILE 95 3HG2 ILE 95 2.121 15.658 -3.200 740 HD11 ILE 95 1HD1 ILE 95 -2.324 16.503 -3.481 741 HD12 ILE 95 2HD1 ILE 95 -1.277 16.430 -4.899 742 HD13 ILE 95 3HD1 ILE 95 -1.191 15.165 -3.673 743 HA PRO 96 HA PRO 96 0.480 13.208 2.237 744 HB2 PRO 96 1HB PRO 96 1.270 10.780 1.313 745 HB3 PRO 96 2HB PRO 96 -0.422 11.186 1.621 746 HG2 PRO 96 1HG PRO 96 1.078 11.158 -0.970 747 HG3 PRO 96 2HG PRO 96 -0.555 10.564 -0.616 748 HD2 PRO 96 1HD PRO 96 -0.100 12.950 -1.812 749 HD3 PRO 96 2HD PRO 96 -1.483 12.671 -0.735 750 H ASP 97 H ASP 97 2.565 11.808 2.787 751 HA ASP 97 HA ASP 97 4.816 13.359 1.759 752 HB2 ASP 97 1HB ASP 97 4.340 11.718 4.219 753 HB3 ASP 97 2HB ASP 97 5.991 12.030 3.694 754 H LYS 98 H LYS 98 5.320 12.435 -0.192 755 HA LYS 98 HA LYS 98 5.308 9.855 -1.014 756 HB2 LYS 98 1HB LYS 98 5.968 11.691 -2.472 757 HB3 LYS 98 2HB LYS 98 7.464 11.901 -1.570 758 HG2 LYS 98 1HG LYS 98 7.940 9.453 -2.231 759 HG3 LYS 98 2HG LYS 98 6.686 9.707 -3.447 760 HD2 LYS 98 1HD LYS 98 7.917 11.369 -4.538 761 HD3 LYS 98 2HD LYS 98 8.974 11.626 -3.147 762 HE2 LYS 98 1HE LYS 98 9.894 9.347 -3.496 763 HE3 LYS 98 2HE LYS 98 8.914 9.212 -4.955 764 HZ1 LYS 98 1HZ LYS 98 10.723 10.039 -5.948 765 HZ2 LYS 98 2HZ LYS 98 11.373 10.660 -4.515 766 HZ3 LYS 98 3HZ LYS 98 10.196 11.535 -5.359 767 H LEU 99 H LEU 99 8.172 11.383 0.473 768 HA LEU 99 HA LEU 99 9.812 9.204 0.670 769 HB2 LEU 99 1HB LEU 99 9.487 11.258 2.847 770 HB3 LEU 99 2HB LEU 99 10.923 10.302 2.490 771 HG LEU 99 HG LEU 99 9.765 12.466 0.733 772 HD11 LEU 99 1HD1 LEU 99 12.446 12.669 1.972 773 HD12 LEU 99 2HD1 LEU 99 11.050 12.923 3.019 774 HD13 LEU 99 3HD1 LEU 99 11.273 13.928 1.587 775 HD21 LEU 99 1HD2 LEU 99 10.946 10.531 -0.400 776 HD22 LEU 99 2HD2 LEU 99 12.407 11.061 0.435 777 HD23 LEU 99 3HD2 LEU 99 11.603 12.139 -0.707 778 H THR 100 H THR 100 7.416 10.231 3.096 779 HA THR 100 HA THR 100 7.821 8.145 4.908 780 HB THR 100 HB THR 100 5.210 9.570 4.364 781 HG1 THR 100 1HG THR 100 7.380 10.237 6.092 782 HG21 THR 100 1HG2 THR 100 6.047 7.577 6.308 783 HG22 THR 100 2HG2 THR 100 4.431 8.170 5.925 784 HG23 THR 100 3HG2 THR 100 5.442 9.045 7.073 785 H VAL 101 H VAL 101 5.288 8.434 2.410 786 HA VAL 101 HA VAL 101 4.061 5.995 2.722 787 HB VAL 101 HB VAL 101 4.603 7.408 0.107 788 HG11 VAL 101 1HG1 VAL 101 2.873 6.138 -0.860 789 HG12 VAL 101 2HG1 VAL 101 3.875 4.974 0.009 790 HG13 VAL 101 3HG1 VAL 101 2.346 5.515 0.703 791 HG21 VAL 101 1HG2 VAL 101 3.030 8.156 2.341 792 HG22 VAL 101 2HG2 VAL 101 3.148 8.949 0.770 793 HG23 VAL 101 3HG2 VAL 101 1.931 7.701 1.039 794 H MET 102 H MET 102 6.624 6.662 0.325 795 HA MET 102 HA MET 102 7.063 4.148 -0.625 796 HB2 MET 102 1HB MET 102 9.038 6.349 -0.043 797 HB3 MET 102 2HB MET 102 9.500 4.864 -0.864 798 HG2 MET 102 1HG MET 102 7.724 5.370 -2.562 799 HG3 MET 102 2HG MET 102 7.547 6.947 -1.796 800 HE1 MET 102 1HE MET 102 9.473 5.773 -5.139 801 HE2 MET 102 2HE MET 102 10.847 5.158 -4.220 802 HE3 MET 102 3HE MET 102 9.217 4.587 -3.858 803 H THR 103 H THR 103 8.526 5.551 2.295 804 HA THR 103 HA THR 103 10.098 3.357 3.019 805 HB THR 103 HB THR 103 8.781 5.393 4.826 806 HG1 THR 103 1HG THR 103 10.470 6.638 4.375 807 HG21 THR 103 1HG2 THR 103 9.487 3.451 6.101 808 HG22 THR 103 2HG2 THR 103 10.576 4.802 6.418 809 HG23 THR 103 3HG2 THR 103 11.076 3.499 5.340 810 H TYR 104 H TYR 104 6.726 4.118 3.752 811 HA TYR 104 HA TYR 104 6.298 1.999 5.571 812 HB2 TYR 104 1HB TYR 104 4.770 3.872 5.502 813 HB3 TYR 104 2HB TYR 104 4.363 3.531 3.824 814 HD1 TYR 104 2HD TYR 104 4.572 1.364 6.864 815 HD2 TYR 104 1HD TYR 104 2.158 2.860 3.695 816 HE1 TYR 104 2HE TYR 104 2.716 -0.066 7.611 817 HE2 TYR 104 1HE TYR 104 0.295 1.435 4.434 818 HH TYR 104 HH TYR 104 -0.413 -0.045 5.925 819 H LEU 105 H LEU 105 5.579 2.305 2.100 820 HA LEU 105 HA LEU 105 4.401 -0.135 1.635 821 HB2 LEU 105 1HB LEU 105 6.165 1.610 -0.034 822 HB3 LEU 105 2HB LEU 105 5.618 0.053 -0.654 823 HG LEU 105 HG LEU 105 3.696 2.149 0.323 824 HD11 LEU 105 1HD1 LEU 105 3.578 2.208 -2.420 825 HD12 LEU 105 2HD1 LEU 105 5.310 2.143 -2.099 826 HD13 LEU 105 3HD1 LEU 105 4.330 3.427 -1.391 827 HD21 LEU 105 1HD2 LEU 105 2.965 -0.230 0.059 828 HD22 LEU 105 2HD2 LEU 105 3.336 -0.090 -1.660 829 HD23 LEU 105 3HD2 LEU 105 2.086 0.927 -0.940 830 H TYR 106 H TYR 106 7.879 0.566 1.242 831 HA TYR 106 HA TYR 106 8.902 -1.833 0.611 832 HB2 TYR 106 1HB TYR 106 9.904 0.274 2.488 833 HB3 TYR 106 2HB TYR 106 10.814 -1.220 2.300 834 HD1 TYR 106 2HD TYR 106 10.956 -1.894 -0.376 835 HD2 TYR 106 1HD TYR 106 10.717 2.030 1.250 836 HE1 TYR 106 2HE TYR 106 12.019 -0.996 -2.404 837 HE2 TYR 106 1HE TYR 106 11.778 2.940 -0.774 838 HH TYR 106 HH TYR 106 11.993 1.360 -3.604 839 H GLN 107 H GLN 107 7.841 -0.893 3.853 840 HA GLN 107 HA GLN 107 8.676 -3.154 5.249 841 HB2 GLN 107 1HB GLN 107 6.197 -1.496 5.745 842 HB3 GLN 107 2HB GLN 107 6.972 -2.565 6.907 843 HG2 GLN 107 1HG GLN 107 8.367 -0.211 5.668 844 HG3 GLN 107 2HG GLN 107 7.444 -0.109 7.167 845 HE21 GLN 107 1HE2 GLN 107 10.145 0.506 7.013 846 HE22 GLN 107 2HE2 GLN 107 11.037 -0.658 7.925 847 H ILE 108 H ILE 108 5.505 -2.515 3.757 848 HA ILE 108 HA ILE 108 4.372 -5.015 4.345 849 HB ILE 108 HB ILE 108 3.742 -3.159 2.046 850 HG12 ILE 108 1HG1 ILE 108 1.718 -2.825 3.782 851 HG13 ILE 108 2HG1 ILE 108 2.998 -3.227 4.922 852 HG21 ILE 108 1HG2 ILE 108 1.833 -5.135 3.230 853 HG22 ILE 108 2HG2 ILE 108 1.794 -4.351 1.651 854 HG23 ILE 108 3HG2 ILE 108 2.966 -5.629 1.973 855 HD11 ILE 108 1HD1 ILE 108 2.490 -0.768 3.528 856 HD12 ILE 108 2HD1 ILE 108 3.593 -1.099 4.864 857 HD13 ILE 108 3HD1 ILE 108 4.122 -1.350 3.200 858 H ARG 109 H ARG 109 5.715 -3.854 1.247 859 HA ARG 109 HA ARG 109 5.546 -6.222 -0.169 860 HB2 ARG 109 1HB ARG 109 6.117 -4.297 -1.393 861 HB3 ARG 109 2HB ARG 109 7.463 -3.913 -0.329 862 HG2 ARG 109 1HG ARG 109 7.552 -6.453 -1.871 863 HG3 ARG 109 2HG ARG 109 7.853 -4.933 -2.715 864 HD2 ARG 109 1HD ARG 109 9.528 -4.430 -0.860 865 HD3 ARG 109 2HD ARG 109 9.372 -6.128 -0.414 866 HE ARG 109 HE ARG 109 10.547 -6.717 -2.311 867 HH11 ARG 109 1HH1 ARG 109 9.772 -3.324 -2.379 868 HH12 ARG 109 2HH1 ARG 109 10.825 -2.977 -3.710 869 HH21 ARG 109 1HH2 ARG 109 11.937 -6.273 -4.064 870 HH22 ARG 109 2HH2 ARG 109 12.056 -4.655 -4.668 871 H ALA 110 H ALA 110 8.079 -5.122 2.032 872 HA ALA 110 HA ALA 110 9.881 -7.250 1.543 873 HB1 ALA 110 1HB ALA 110 9.572 -5.303 3.808 874 HB2 ALA 110 2HB ALA 110 10.812 -6.558 3.813 875 HB3 ALA 110 3HB ALA 110 10.798 -5.336 2.541 876 H HIS 111 H HIS 111 7.376 -6.745 4.006 877 HA HIS 111 HA HIS 111 7.806 -8.964 5.590 878 HB2 HIS 111 1HB HIS 111 6.144 -7.150 6.030 879 HB3 HIS 111 2HB HIS 111 5.095 -7.871 4.813 880 HD1 HIS 111 1HD HIS 111 6.445 -8.464 8.265 881 HD2 HIS 111 2HD HIS 111 3.684 -10.116 5.636 882 HE1 HIS 111 1HE HIS 111 5.142 -10.134 9.620 883 HE2 HIS 111 2HE HIS 111 3.535 -11.182 7.988 884 H PHE 112 H PHE 112 5.598 -8.758 2.796 885 HA PHE 112 HA PHE 112 4.998 -11.527 2.783 886 HB2 PHE 112 1HB PHE 112 4.687 -9.377 0.687 887 HB3 PHE 112 2HB PHE 112 4.133 -11.032 0.453 888 HD1 PHE 112 1HD PHE 112 2.403 -11.957 2.035 889 HD2 PHE 112 2HD PHE 112 3.391 -7.821 1.854 890 HE1 PHE 112 1HE PHE 112 0.281 -11.405 3.153 891 HE2 PHE 112 2HE PHE 112 1.272 -7.263 2.972 892 HZ PHE 112 HZ PHE 112 -0.286 -9.056 3.624 893 H SER 113 H SER 113 7.270 -9.540 0.929 894 HA SER 113 HA SER 113 8.214 -11.669 -0.700 895 HB2 SER 113 1HB SER 113 9.787 -10.134 -1.546 896 HB3 SER 113 2HB SER 113 8.404 -9.130 -1.111 897 HG SER 113 HG SER 113 9.833 -9.230 1.045 898 H SER 114 H SER 114 10.574 -12.313 -0.694 899 HA SER 114 HA SER 114 11.351 -12.985 2.063 900 HB2 SER 114 1HB SER 114 12.527 -14.905 1.119 901 HB3 SER 114 2HB SER 114 10.849 -14.903 0.577 902 HG SER 114 HG SER 114 12.983 -13.813 -0.938 903 H GLY 115 H GLY 115 12.451 -11.568 -0.937 904 HA2 GLY 115 1HA GLY 115 14.164 -10.000 -1.173 905 HA3 GLY 115 2HA GLY 115 14.696 -10.370 0.460 906 HA PRO 116 HA PRO 116 17.921 -12.153 -2.234 907 HB2 PRO 116 1HB PRO 116 19.918 -11.785 -0.433 908 HB3 PRO 116 2HB PRO 116 19.367 -10.513 -1.530 909 HG2 PRO 116 1HG PRO 116 18.680 -10.959 1.350 910 HG3 PRO 116 2HG PRO 116 19.067 -9.444 0.513 911 HD2 PRO 116 1HD PRO 116 16.526 -10.188 1.081 912 HD3 PRO 116 2HD PRO 116 16.943 -9.238 -0.359 913 H SER 117 H SER 117 19.824 -13.703 -1.337 914 HA SER 117 HA SER 117 18.483 -16.035 -0.419 915 HB2 SER 117 1HB SER 117 20.611 -17.138 -0.615 916 HB3 SER 117 2HB SER 117 20.475 -16.007 -1.961 917 HG SER 117 HG SER 117 22.199 -15.065 -1.248 918 H SER 118 H SER 118 18.122 -16.715 1.584 919 HA SER 118 HA SER 118 18.147 -16.873 3.853 920 HB2 SER 118 1HB SER 118 20.551 -17.526 3.326 921 HB3 SER 118 2HB SER 118 20.995 -15.871 3.745 922 HG SER 118 HG SER 118 19.416 -16.902 5.654 923 H GLY 119 H GLY 119 17.094 -14.524 2.798 924 HA2 GLY 119 1HA GLY 119 18.122 -12.358 4.481 925 HA3 GLY 119 2HA GLY 119 16.953 -12.191 3.180 Start of MODEL 15 1 H1 GLY 1 H GLY 1 12.131 -7.082 -21.595 2 HA2 GLY 1 1HA GLY 1 13.672 -6.633 -19.942 3 HA3 GLY 1 2HA GLY 1 12.378 -6.804 -18.764 4 H SER 2 H SER 2 12.347 -8.566 -17.507 5 HA SER 2 HA SER 2 14.158 -10.778 -18.225 6 HB2 SER 2 1HB SER 2 13.464 -9.850 -15.429 7 HB3 SER 2 2HB SER 2 14.630 -11.098 -15.868 8 HG SER 2 HG SER 2 14.824 -8.319 -16.073 9 H SER 3 H SER 3 13.573 -12.826 -16.922 10 HA SER 3 HA SER 3 10.919 -13.559 -17.659 11 HB2 SER 3 1HB SER 3 11.488 -15.762 -16.864 12 HB3 SER 3 2HB SER 3 12.899 -15.106 -17.695 13 HG SER 3 HG SER 3 13.495 -14.390 -15.441 14 H GLY 4 H GLY 4 12.472 -12.585 -14.684 15 HA2 GLY 4 1HA GLY 4 9.955 -12.092 -13.426 16 HA3 GLY 4 2HA GLY 4 10.739 -13.515 -12.757 17 H SER 5 H SER 5 10.129 -11.064 -11.383 18 HA SER 5 HA SER 5 12.534 -9.536 -11.101 19 HB2 SER 5 1HB SER 5 10.278 -8.592 -10.661 20 HB3 SER 5 2HB SER 5 10.130 -9.657 -9.263 21 HG SER 5 HG SER 5 11.300 -7.274 -9.403 22 H SER 6 H SER 6 14.080 -9.622 -9.521 23 HA SER 6 HA SER 6 13.850 -11.497 -7.327 24 HB2 SER 6 1HB SER 6 15.678 -12.897 -7.903 25 HB3 SER 6 2HB SER 6 14.689 -12.800 -9.360 26 HG SER 6 HG SER 6 16.296 -11.889 -10.351 27 H GLY 7 H GLY 7 15.117 -10.953 -5.606 28 HA2 GLY 7 1HA GLY 7 16.517 -9.690 -4.295 29 HA3 GLY 7 2HA GLY 7 17.482 -9.424 -5.739 30 HA PRO 8 HA PRO 8 15.117 -5.540 -4.301 31 HB2 PRO 8 1HB PRO 8 17.171 -4.225 -3.109 32 HB3 PRO 8 2HB PRO 8 16.084 -5.308 -2.230 33 HG2 PRO 8 1HG PRO 8 18.826 -5.841 -3.307 34 HG3 PRO 8 2HG PRO 8 18.129 -6.303 -1.744 35 HD2 PRO 8 1HD PRO 8 18.333 -8.034 -3.816 36 HD3 PRO 8 2HD PRO 8 17.010 -8.111 -2.634 37 H ASN 9 H ASN 9 14.997 -3.969 -5.783 38 HA ASN 9 HA ASN 9 17.424 -3.147 -7.206 39 HB2 ASN 9 1HB ASN 9 15.858 -4.896 -8.436 40 HB3 ASN 9 2HB ASN 9 14.913 -3.455 -8.794 41 HD21 ASN 9 1HD2 ASN 9 17.553 -5.346 -9.669 42 HD22 ASN 9 2HD2 ASN 9 18.240 -4.288 -10.849 43 H ALA 10 H ALA 10 16.720 -1.230 -8.769 44 HA ALA 10 HA ALA 10 16.190 0.982 -7.265 45 HB1 ALA 10 1HB ALA 10 16.270 2.144 -9.197 46 HB2 ALA 10 2HB ALA 10 16.777 0.590 -9.861 47 HB3 ALA 10 3HB ALA 10 15.095 1.101 -10.000 48 H SER 11 H SER 11 14.293 2.477 -7.379 49 HA SER 11 HA SER 11 12.106 1.609 -6.094 50 HB2 SER 11 1HB SER 11 12.488 3.823 -8.059 51 HB3 SER 11 2HB SER 11 10.847 3.461 -7.525 52 HG SER 11 HG SER 11 12.112 5.040 -6.250 53 H GLN 12 H GLN 12 12.515 1.533 -9.611 54 HA GLN 12 HA GLN 12 10.148 0.840 -10.615 55 HB2 GLN 12 1HB GLN 12 12.127 0.817 -11.994 56 HB3 GLN 12 2HB GLN 12 12.759 -0.584 -11.140 57 HG2 GLN 12 1HG GLN 12 10.599 -1.750 -11.959 58 HG3 GLN 12 2HG GLN 12 10.533 -0.427 -13.122 59 HE21 GLN 12 1HE2 GLN 12 11.072 -3.398 -13.301 60 HE22 GLN 12 2HE2 GLN 12 12.519 -3.507 -14.237 61 H SER 13 H SER 13 12.271 -1.522 -9.000 62 HA SER 13 HA SER 13 10.747 -3.780 -9.169 63 HB2 SER 13 1HB SER 13 12.658 -2.745 -7.134 64 HB3 SER 13 2HB SER 13 11.676 -4.140 -6.687 65 HG SER 13 HG SER 13 13.463 -4.970 -7.645 66 H LEU 14 H LEU 14 10.590 -1.471 -6.452 67 HA LEU 14 HA LEU 14 8.422 -2.592 -5.136 68 HB2 LEU 14 1HB LEU 14 9.641 -0.939 -4.003 69 HB3 LEU 14 2HB LEU 14 9.445 0.223 -5.314 70 HG LEU 14 HG LEU 14 6.987 0.285 -4.722 71 HD11 LEU 14 1HD1 LEU 14 6.747 -1.726 -3.472 72 HD12 LEU 14 2HD1 LEU 14 6.487 -0.381 -2.362 73 HD13 LEU 14 3HD1 LEU 14 8.020 -1.251 -2.348 74 HD21 LEU 14 1HD2 LEU 14 8.733 1.982 -4.067 75 HD22 LEU 14 2HD2 LEU 14 8.811 1.176 -2.500 76 HD23 LEU 14 3HD2 LEU 14 7.303 1.918 -3.037 77 H LEU 15 H LEU 15 8.347 0.168 -7.398 78 HA LEU 15 HA LEU 15 5.660 0.613 -7.542 79 HB2 LEU 15 1HB LEU 15 7.450 1.879 -8.728 80 HB3 LEU 15 2HB LEU 15 7.502 0.589 -9.927 81 HG LEU 15 HG LEU 15 4.957 1.151 -10.199 82 HD11 LEU 15 1HD1 LEU 15 4.663 2.706 -8.441 83 HD12 LEU 15 2HD1 LEU 15 4.638 3.637 -9.938 84 HD13 LEU 15 3HD1 LEU 15 6.083 3.633 -8.927 85 HD21 LEU 15 1HD2 LEU 15 5.945 1.572 -12.158 86 HD22 LEU 15 2HD2 LEU 15 7.396 2.219 -11.392 87 HD23 LEU 15 3HD2 LEU 15 5.985 3.253 -11.628 88 H VAL 16 H VAL 16 7.475 -1.983 -9.058 89 HA VAL 16 HA VAL 16 5.257 -2.940 -10.613 90 HB VAL 16 HB VAL 16 7.836 -4.349 -9.912 91 HG11 VAL 16 1HG1 VAL 16 5.738 -4.910 -12.002 92 HG12 VAL 16 2HG1 VAL 16 7.324 -5.682 -11.949 93 HG13 VAL 16 3HG1 VAL 16 6.178 -5.929 -10.631 94 HG21 VAL 16 1HG2 VAL 16 8.835 -2.910 -11.278 95 HG22 VAL 16 2HG2 VAL 16 7.839 -3.533 -12.594 96 HG23 VAL 16 3HG2 VAL 16 7.298 -2.137 -11.663 97 H TRP 17 H TRP 17 6.892 -3.979 -7.637 98 HA TRP 17 HA TRP 17 5.731 -6.315 -7.014 99 HB2 TRP 17 1HB TRP 17 7.267 -5.057 -5.524 100 HB3 TRP 17 2HB TRP 17 5.929 -4.003 -5.072 101 HD1 TRP 17 HD TRP 17 7.106 -7.650 -4.684 102 HE1 TRP 17 1HE TRP 17 5.936 -8.661 -2.627 103 HE3 TRP 17 3HE TRP 17 3.953 -3.785 -3.563 104 HZ2 TRP 17 2HZ TRP 17 3.940 -7.919 -0.774 105 HZ3 TRP 17 3HZ TRP 17 2.446 -4.015 -1.632 106 HH2 TRP 17 HH TRP 17 2.440 -6.040 -0.268 107 H CYS 18 H CYS 18 4.185 -3.161 -6.421 108 HA CYS 18 HA CYS 18 1.742 -4.261 -5.497 109 HB2 CYS 18 1HB CYS 18 2.578 -1.918 -5.068 110 HB3 CYS 18 2HB CYS 18 2.138 -1.531 -6.727 111 HG CYS 18 HG CYS 18 0.274 -0.690 -4.596 112 H LYS 19 H LYS 19 2.779 -3.001 -8.645 113 HA LYS 19 HA LYS 19 0.348 -3.222 -9.993 114 HB2 LYS 19 1HB LYS 19 3.183 -3.483 -11.004 115 HB3 LYS 19 2HB LYS 19 1.778 -3.412 -12.060 116 HG2 LYS 19 1HG LYS 19 1.279 -1.197 -11.408 117 HG3 LYS 19 2HG LYS 19 2.417 -1.264 -10.059 118 HD2 LYS 19 1HD LYS 19 3.693 -0.121 -11.567 119 HD3 LYS 19 2HD LYS 19 4.132 -1.771 -12.015 120 HE2 LYS 19 1HE LYS 19 1.791 -0.469 -13.331 121 HE3 LYS 19 2HE LYS 19 3.420 -0.029 -13.841 122 HZ1 LYS 19 1HZ LYS 19 2.719 -2.871 -13.641 123 HZ2 LYS 19 2HZ LYS 19 3.823 -2.106 -14.669 124 HZ3 LYS 19 3HZ LYS 19 2.163 -1.990 -14.974 125 H GLU 20 H GLU 20 2.506 -5.658 -8.898 126 HA GLU 20 HA GLU 20 1.570 -7.687 -10.732 127 HB2 GLU 20 1HB GLU 20 3.895 -7.481 -9.519 128 HB3 GLU 20 2HB GLU 20 3.062 -8.320 -8.218 129 HG2 GLU 20 1HG GLU 20 4.368 -9.731 -9.875 130 HG3 GLU 20 2HG GLU 20 2.718 -10.232 -9.508 131 H VAL 21 H VAL 21 1.511 -7.429 -7.172 132 HA VAL 21 HA VAL 21 -0.336 -9.443 -6.699 133 HB VAL 21 HB VAL 21 -0.595 -8.600 -4.517 134 HG11 VAL 21 1HG1 VAL 21 1.949 -8.710 -5.712 135 HG12 VAL 21 2HG1 VAL 21 1.970 -7.333 -4.609 136 HG13 VAL 21 3HG1 VAL 21 1.540 -8.936 -4.012 137 HG21 VAL 21 1HG2 VAL 21 0.105 -5.913 -5.679 138 HG22 VAL 21 2HG2 VAL 21 -1.408 -6.405 -4.918 139 HG23 VAL 21 3HG2 VAL 21 0.053 -6.232 -3.945 140 H THR 22 H THR 22 -0.836 -6.156 -7.743 141 HA THR 22 HA THR 22 -3.713 -6.314 -7.324 142 HB THR 22 HB THR 22 -3.786 -4.009 -8.143 143 HG1 THR 22 1HG THR 22 -1.060 -4.525 -8.719 144 HG21 THR 22 1HG2 THR 22 -3.355 -4.270 -5.794 145 HG22 THR 22 2HG2 THR 22 -2.335 -2.963 -6.396 146 HG23 THR 22 3HG2 THR 22 -1.640 -4.555 -6.092 147 H LYS 23 H LYS 23 -2.340 -8.080 -9.253 148 HA LYS 23 HA LYS 23 -2.910 -7.178 -11.891 149 HB2 LYS 23 1HB LYS 23 -2.412 -9.438 -12.585 150 HB3 LYS 23 2HB LYS 23 -1.246 -8.942 -11.366 151 HG2 LYS 23 1HG LYS 23 -2.584 -10.168 -9.670 152 HG3 LYS 23 2HG LYS 23 -3.615 -10.757 -10.976 153 HD2 LYS 23 1HD LYS 23 -0.632 -11.169 -10.926 154 HD3 LYS 23 2HD LYS 23 -1.773 -12.319 -10.226 155 HE2 LYS 23 1HE LYS 23 -2.203 -11.408 -13.028 156 HE3 LYS 23 2HE LYS 23 -0.912 -12.566 -12.708 157 HZ1 LYS 23 1HZ LYS 23 -3.758 -12.954 -12.712 158 HZ2 LYS 23 2HZ LYS 23 -3.010 -13.583 -11.332 159 HZ3 LYS 23 3HZ LYS 23 -2.513 -14.089 -12.868 160 H ASN 24 H ASN 24 -4.787 -7.112 -12.935 161 HA ASN 24 HA ASN 24 -6.951 -7.493 -13.529 162 HB2 ASN 24 1HB ASN 24 -6.786 -9.981 -11.818 163 HB3 ASN 24 2HB ASN 24 -7.948 -9.653 -13.101 164 HD21 ASN 24 1HD2 ASN 24 -5.224 -11.297 -12.367 165 HD22 ASN 24 2HD2 ASN 24 -4.561 -11.496 -13.950 166 H TYR 25 H TYR 25 -6.491 -5.746 -11.460 167 HA TYR 25 HA TYR 25 -8.573 -6.345 -9.476 168 HB2 TYR 25 1HB TYR 25 -6.133 -4.637 -9.469 169 HB3 TYR 25 2HB TYR 25 -7.503 -4.106 -8.499 170 HD1 TYR 25 2HD TYR 25 -5.533 -7.219 -9.146 171 HD2 TYR 25 1HD TYR 25 -7.594 -4.812 -6.307 172 HE1 TYR 25 2HE TYR 25 -4.856 -8.762 -7.355 173 HE2 TYR 25 1HE TYR 25 -6.922 -6.348 -4.507 174 HH TYR 25 HH TYR 25 -5.478 -8.045 -3.978 175 H ARG 26 H ARG 26 -10.341 -5.049 -9.209 176 HA ARG 26 HA ARG 26 -11.588 -3.841 -11.267 177 HB2 ARG 26 1HB ARG 26 -11.697 -3.285 -8.324 178 HB3 ARG 26 2HB ARG 26 -12.652 -2.310 -9.433 179 HG2 ARG 26 1HG ARG 26 -12.799 -5.299 -9.493 180 HG3 ARG 26 2HG ARG 26 -13.744 -4.357 -8.337 181 HD2 ARG 26 1HD ARG 26 -13.809 -3.624 -11.229 182 HD3 ARG 26 2HD ARG 26 -14.746 -5.008 -10.669 183 HE ARG 26 HE ARG 26 -15.152 -2.610 -9.128 184 HH11 ARG 26 1HH1 ARG 26 -16.160 -4.453 -11.904 185 HH12 ARG 26 2HH1 ARG 26 -17.738 -3.742 -11.967 186 HH21 ARG 26 1HH2 ARG 26 -17.227 -1.666 -9.200 187 HH22 ARG 26 2HH2 ARG 26 -18.344 -2.156 -10.429 188 H GLY 27 H GLY 27 -10.199 -1.741 -8.749 189 HA2 GLY 27 1HA GLY 27 -9.248 0.040 -10.905 190 HA3 GLY 27 2HA GLY 27 -10.085 0.666 -9.493 191 H VAL 28 H VAL 28 -7.098 -0.520 -10.763 192 HA VAL 28 HA VAL 28 -5.721 0.483 -8.389 193 HB VAL 28 HB VAL 28 -5.194 -2.260 -9.543 194 HG11 VAL 28 1HG1 VAL 28 -3.152 -2.114 -8.689 195 HG12 VAL 28 2HG1 VAL 28 -3.478 -0.463 -8.158 196 HG13 VAL 28 3HG1 VAL 28 -3.842 -1.821 -7.093 197 HG21 VAL 28 1HG2 VAL 28 -6.029 -3.164 -7.529 198 HG22 VAL 28 2HG2 VAL 28 -6.078 -1.584 -6.748 199 HG23 VAL 28 3HG2 VAL 28 -7.216 -1.964 -8.040 200 H LYS 29 H LYS 29 -4.614 2.097 -9.318 201 HA LYS 29 HA LYS 29 -2.789 1.401 -11.511 202 HB2 LYS 29 1HB LYS 29 -4.900 2.692 -12.243 203 HB3 LYS 29 2HB LYS 29 -4.177 4.068 -11.422 204 HG2 LYS 29 1HG LYS 29 -2.108 3.543 -12.886 205 HG3 LYS 29 2HG LYS 29 -3.254 2.634 -13.873 206 HD2 LYS 29 1HD LYS 29 -4.676 4.765 -13.848 207 HD3 LYS 29 2HD LYS 29 -3.222 5.575 -13.259 208 HE2 LYS 29 1HE LYS 29 -3.333 5.817 -15.647 209 HE3 LYS 29 2HE LYS 29 -2.006 4.727 -15.247 210 HZ1 LYS 29 1HZ LYS 29 -4.042 3.014 -15.566 211 HZ2 LYS 29 2HZ LYS 29 -2.948 3.428 -16.788 212 HZ3 LYS 29 3HZ LYS 29 -4.449 4.203 -16.699 213 H ILE 30 H ILE 30 -1.004 1.355 -10.187 214 HA ILE 30 HA ILE 30 -0.443 3.535 -8.375 215 HB ILE 30 HB ILE 30 1.384 1.271 -9.178 216 HG12 ILE 30 1HG1 ILE 30 0.529 0.519 -6.764 217 HG13 ILE 30 2HG1 ILE 30 -0.900 1.414 -7.270 218 HG21 ILE 30 1HG2 ILE 30 2.870 2.128 -7.764 219 HG22 ILE 30 2HG2 ILE 30 1.858 3.569 -7.678 220 HG23 ILE 30 3HG2 ILE 30 1.659 2.280 -6.491 221 HD11 ILE 30 1HD1 ILE 30 0.070 -0.398 -9.320 222 HD12 ILE 30 2HD1 ILE 30 -0.358 -1.217 -7.817 223 HD13 ILE 30 3HD1 ILE 30 -1.547 -0.208 -8.641 224 H THR 31 H THR 31 -0.506 5.173 -10.112 225 HA THR 31 HA THR 31 1.685 5.205 -11.998 226 HB THR 31 HB THR 31 0.795 7.404 -12.682 227 HG1 THR 31 1HG THR 31 -1.427 7.078 -11.004 228 HG21 THR 31 1HG2 THR 31 -1.409 5.361 -12.392 229 HG22 THR 31 2HG2 THR 31 -0.130 5.280 -13.604 230 HG23 THR 31 3HG2 THR 31 -1.278 6.618 -13.621 231 H ASN 32 H ASN 32 1.053 6.367 -8.820 232 HA ASN 32 HA ASN 32 3.720 7.520 -8.704 233 HB2 ASN 32 1HB ASN 32 1.446 9.162 -7.624 234 HB3 ASN 32 2HB ASN 32 3.095 9.662 -7.984 235 HD21 ASN 32 1HD2 ASN 32 0.009 9.920 -8.977 236 HD22 ASN 32 2HD2 ASN 32 0.256 10.255 -10.654 237 H PHE 33 H PHE 33 3.969 8.443 -6.295 238 HA PHE 33 HA PHE 33 2.855 6.392 -4.497 239 HB2 PHE 33 1HB PHE 33 5.642 7.509 -4.683 240 HB3 PHE 33 2HB PHE 33 5.053 6.777 -3.194 241 HD1 PHE 33 2HD PHE 33 4.145 4.385 -3.347 242 HD2 PHE 33 1HD PHE 33 6.539 6.193 -6.366 243 HE1 PHE 33 2HE PHE 33 4.730 2.157 -4.212 244 HE2 PHE 33 1HE PHE 33 7.127 3.968 -7.236 245 HZ PHE 33 HZ PHE 33 6.223 1.946 -6.158 246 H THR 34 H THR 34 1.810 9.046 -5.063 247 HA THR 34 HA THR 34 2.031 10.193 -2.358 248 HB THR 34 HB THR 34 1.549 12.435 -3.437 249 HG1 THR 34 1HG THR 34 2.614 11.368 -5.812 250 HG21 THR 34 1HG2 THR 34 4.098 12.031 -4.603 251 HG22 THR 34 2HG2 THR 34 3.999 10.993 -3.180 252 HG23 THR 34 3HG2 THR 34 3.718 12.727 -3.028 253 H THR 35 H THR 35 0.009 10.742 -5.244 254 HA THR 35 HA THR 35 -2.354 10.894 -3.567 255 HB THR 35 HB THR 35 -3.542 11.465 -5.666 256 HG1 THR 35 1HG THR 35 -1.621 10.254 -6.852 257 HG21 THR 35 1HG2 THR 35 -1.007 13.053 -5.243 258 HG22 THR 35 2HG2 THR 35 -2.490 13.225 -4.303 259 HG23 THR 35 3HG2 THR 35 -2.482 13.629 -6.020 260 H SER 36 H SER 36 -0.872 8.701 -5.845 261 HA SER 36 HA SER 36 -3.026 7.084 -6.515 262 HB2 SER 36 1HB SER 36 -0.080 6.685 -6.335 263 HB3 SER 36 2HB SER 36 -1.088 5.244 -6.467 264 HG SER 36 HG SER 36 -1.355 5.691 -8.492 265 H TRP 37 H TRP 37 -1.160 7.235 -3.567 266 HA TRP 37 HA TRP 37 -2.656 4.947 -2.485 267 HB2 TRP 37 1HB TRP 37 -0.256 6.303 -1.247 268 HB3 TRP 37 2HB TRP 37 -0.955 4.746 -0.809 269 HD1 TRP 37 HD TRP 37 0.906 6.377 -3.791 270 HE1 TRP 37 1HE TRP 37 2.258 4.539 -4.982 271 HE3 TRP 37 3HE TRP 37 -0.651 2.334 -1.077 272 HZ2 TRP 37 2HZ TRP 37 2.616 1.746 -4.797 273 HZ3 TRP 37 3HZ TRP 37 0.244 0.115 -1.648 274 HH2 TRP 37 HH TRP 37 1.843 -0.172 -3.470 275 H ARG 38 H ARG 38 -2.426 8.342 -2.389 276 HA ARG 38 HA ARG 38 -3.028 9.149 0.122 277 HB2 ARG 38 1HB ARG 38 -2.908 10.847 -1.477 278 HB3 ARG 38 2HB ARG 38 -4.076 10.066 -2.535 279 HG2 ARG 38 1HG ARG 38 -5.872 10.880 -1.389 280 HG3 ARG 38 2HG ARG 38 -4.995 10.970 0.140 281 HD2 ARG 38 1HD ARG 38 -3.875 12.948 -0.509 282 HD3 ARG 38 2HD ARG 38 -4.369 12.761 -2.192 283 HE ARG 38 HE ARG 38 -5.937 13.857 -0.023 284 HH11 ARG 38 1HH1 ARG 38 -5.946 12.528 -3.241 285 HH12 ARG 38 2HH1 ARG 38 -7.458 13.253 -3.677 286 HH21 ARG 38 1HH2 ARG 38 -7.928 14.817 -0.585 287 HH22 ARG 38 2HH2 ARG 38 -8.584 14.556 -2.165 288 H ASN 39 H ASN 39 -5.426 7.959 -2.229 289 HA ASN 39 HA ASN 39 -7.641 8.098 -0.506 290 HB2 ASN 39 1HB ASN 39 -8.503 6.226 -2.141 291 HB3 ASN 39 2HB ASN 39 -8.264 7.871 -2.722 292 HD21 ASN 39 1HD2 ASN 39 -8.183 6.741 -4.804 293 HD22 ASN 39 2HD2 ASN 39 -6.665 6.112 -5.339 294 H GLY 40 H GLY 40 -5.700 5.255 -1.460 295 HA2 GLY 40 1HA GLY 40 -4.918 3.788 0.359 296 HA3 GLY 40 2HA GLY 40 -6.496 4.012 1.100 297 H LEU 41 H LEU 41 -6.110 3.549 -2.339 298 HA LEU 41 HA LEU 41 -7.811 1.226 -2.244 299 HB2 LEU 41 1HB LEU 41 -6.431 2.612 -4.536 300 HB3 LEU 41 2HB LEU 41 -7.551 1.263 -4.715 301 HG LEU 41 HG LEU 41 -8.297 3.921 -3.501 302 HD11 LEU 41 1HD1 LEU 41 -9.338 4.465 -5.604 303 HD12 LEU 41 2HD1 LEU 41 -8.827 2.926 -6.297 304 HD13 LEU 41 3HD1 LEU 41 -7.624 4.142 -5.868 305 HD21 LEU 41 1HD2 LEU 41 -9.581 1.719 -3.012 306 HD22 LEU 41 2HD2 LEU 41 -10.168 1.898 -4.665 307 HD23 LEU 41 3HD2 LEU 41 -10.482 3.163 -3.476 308 H SER 42 H SER 42 -4.624 1.791 -3.750 309 HA SER 42 HA SER 42 -3.940 -0.803 -4.302 310 HB2 SER 42 1HB SER 42 -2.130 1.435 -3.367 311 HB3 SER 42 2HB SER 42 -1.561 -0.068 -4.092 312 HG SER 42 HG SER 42 -3.219 1.895 -5.297 313 H PHE 43 H PHE 43 -3.564 0.915 -1.235 314 HA PHE 43 HA PHE 43 -2.100 -0.971 0.178 315 HB2 PHE 43 1HB PHE 43 -4.114 1.096 0.992 316 HB3 PHE 43 2HB PHE 43 -3.462 -0.014 2.193 317 HD1 PHE 43 2HD PHE 43 -0.748 -0.268 1.866 318 HD2 PHE 43 1HD PHE 43 -3.119 3.149 0.964 319 HE1 PHE 43 2HE PHE 43 1.233 1.169 2.119 320 HE2 PHE 43 1HE PHE 43 -1.142 4.592 1.214 321 HZ PHE 43 HZ PHE 43 1.037 3.602 1.794 322 H CYS 44 H CYS 44 -5.621 -0.708 -0.190 323 HA CYS 44 HA CYS 44 -6.149 -3.051 1.366 324 HB2 CYS 44 1HB CYS 44 -7.828 -1.291 -0.404 325 HB3 CYS 44 2HB CYS 44 -8.474 -2.779 0.277 326 HG CYS 44 HG CYS 44 -7.950 0.178 1.732 327 H ALA 45 H ALA 45 -5.792 -2.332 -2.054 328 HA ALA 45 HA ALA 45 -6.785 -4.725 -3.114 329 HB1 ALA 45 1HB ALA 45 -5.843 -4.084 -5.136 330 HB2 ALA 45 2HB ALA 45 -6.086 -2.546 -4.306 331 HB3 ALA 45 3HB ALA 45 -4.481 -3.275 -4.360 332 H ILE 46 H ILE 46 -3.452 -3.832 -2.238 333 HA ILE 46 HA ILE 46 -2.188 -6.195 -2.962 334 HB ILE 46 HB ILE 46 -1.506 -4.403 -0.628 335 HG12 ILE 46 1HG1 ILE 46 -0.184 -4.357 -3.324 336 HG13 ILE 46 2HG1 ILE 46 -1.673 -3.459 -3.052 337 HG21 ILE 46 1HG2 ILE 46 0.840 -5.445 -1.579 338 HG22 ILE 46 2HG2 ILE 46 -0.032 -6.018 -0.158 339 HG23 ILE 46 3HG2 ILE 46 -0.266 -6.812 -1.716 340 HD11 ILE 46 1HD1 ILE 46 -0.669 -2.024 -1.526 341 HD12 ILE 46 2HD1 ILE 46 0.692 -3.113 -1.255 342 HD13 ILE 46 3HD1 ILE 46 0.554 -2.236 -2.779 343 H LEU 47 H LEU 47 -3.198 -5.303 0.345 344 HA LEU 47 HA LEU 47 -2.727 -7.726 1.572 345 HB2 LEU 47 1HB LEU 47 -3.359 -5.617 2.708 346 HB3 LEU 47 2HB LEU 47 -5.018 -5.857 2.162 347 HG LEU 47 HG LEU 47 -5.035 -7.997 3.482 348 HD11 LEU 47 1HD1 LEU 47 -2.304 -7.034 4.090 349 HD12 LEU 47 2HD1 LEU 47 -2.929 -8.678 3.965 350 HD13 LEU 47 3HD1 LEU 47 -3.228 -7.731 5.422 351 HD21 LEU 47 1HD2 LEU 47 -5.916 -5.713 4.223 352 HD22 LEU 47 2HD2 LEU 47 -4.470 -5.621 5.229 353 HD23 LEU 47 3HD2 LEU 47 -5.634 -6.924 5.475 354 H HIS 48 H HIS 48 -5.575 -6.693 -0.241 355 HA HIS 48 HA HIS 48 -7.205 -8.913 0.333 356 HB2 HIS 48 1HB HIS 48 -7.789 -6.651 -0.812 357 HB3 HIS 48 2HB HIS 48 -7.319 -7.470 -2.299 358 HD1 HIS 48 1HD HIS 48 -8.793 -9.543 -3.009 359 HD2 HIS 48 2HD HIS 48 -10.279 -7.312 0.166 360 HE1 HIS 48 1HE HIS 48 -11.196 -10.242 -2.762 361 HE2 HIS 48 2HE HIS 48 -12.098 -8.817 -0.891 362 H HIS 49 H HIS 49 -4.688 -8.389 -2.050 363 HA HIS 49 HA HIS 49 -5.165 -10.489 -3.794 364 HB2 HIS 49 1HB HIS 49 -3.382 -8.671 -3.952 365 HB3 HIS 49 2HB HIS 49 -2.401 -9.680 -2.893 366 HD1 HIS 49 1HD HIS 49 -4.490 -10.686 -5.909 367 HD2 HIS 49 2HD HIS 49 -0.561 -10.760 -4.560 368 HE1 HIS 49 1HE HIS 49 -3.201 -11.943 -7.664 369 HE2 HIS 49 2HE HIS 49 -0.843 -12.049 -6.785 370 H PHE 50 H PHE 50 -3.135 -10.519 -0.864 371 HA PHE 50 HA PHE 50 -2.525 -13.269 -0.983 372 HB2 PHE 50 1HB PHE 50 -2.625 -11.542 1.496 373 HB3 PHE 50 2HB PHE 50 -1.695 -13.020 1.271 374 HD1 PHE 50 1HD PHE 50 0.322 -13.028 -0.084 375 HD2 PHE 50 2HD PHE 50 -1.889 -9.450 0.571 376 HE1 PHE 50 1HE PHE 50 2.238 -11.703 -0.876 377 HE2 PHE 50 2HE PHE 50 0.023 -8.120 -0.221 378 HZ PHE 50 HZ PHE 50 2.089 -9.246 -0.947 379 H ARG 51 H ARG 51 -4.998 -11.477 0.829 380 HA ARG 51 HA ARG 51 -6.598 -13.916 0.962 381 HB2 ARG 51 1HB ARG 51 -5.207 -13.633 3.086 382 HB3 ARG 51 2HB ARG 51 -6.202 -12.222 3.422 383 HG2 ARG 51 1HG ARG 51 -7.260 -13.877 4.624 384 HG3 ARG 51 2HG ARG 51 -8.188 -13.851 3.123 385 HD2 ARG 51 1HD ARG 51 -7.840 -16.100 3.334 386 HD3 ARG 51 2HD ARG 51 -6.416 -15.658 2.393 387 HE ARG 51 HE ARG 51 -6.055 -15.626 5.262 388 HH11 ARG 51 1HH1 ARG 51 -5.822 -17.469 2.318 389 HH12 ARG 51 2HH1 ARG 51 -4.669 -18.592 2.960 390 HH21 ARG 51 1HH2 ARG 51 -4.538 -17.098 6.118 391 HH22 ARG 51 2HH2 ARG 51 -3.940 -18.381 5.121 392 HA PRO 52 HA PRO 52 -9.358 -10.592 -0.334 393 HB2 PRO 52 1HB PRO 52 -11.278 -12.262 -1.281 394 HB3 PRO 52 2HB PRO 52 -9.823 -11.854 -2.198 395 HG2 PRO 52 1HG PRO 52 -10.410 -14.291 -0.562 396 HG3 PRO 52 2HG PRO 52 -9.637 -14.171 -2.154 397 HD2 PRO 52 1HD PRO 52 -8.222 -14.502 0.131 398 HD3 PRO 52 2HD PRO 52 -7.594 -13.593 -1.258 399 H ASP 53 H ASP 53 -9.489 -12.748 2.184 400 HA ASP 53 HA ASP 53 -12.184 -11.898 3.003 401 HB2 ASP 53 1HB ASP 53 -11.535 -14.396 2.855 402 HB3 ASP 53 2HB ASP 53 -10.611 -14.095 4.325 403 H LEU 54 H LEU 54 -9.734 -10.285 3.193 404 HA LEU 54 HA LEU 54 -9.554 -10.032 6.123 405 HB2 LEU 54 1HB LEU 54 -7.564 -9.657 3.944 406 HB3 LEU 54 2HB LEU 54 -7.435 -8.641 5.378 407 HG LEU 54 HG LEU 54 -7.397 -11.658 5.390 408 HD11 LEU 54 1HD1 LEU 54 -5.100 -9.754 5.797 409 HD12 LEU 54 2HD1 LEU 54 -5.429 -10.596 4.283 410 HD13 LEU 54 3HD1 LEU 54 -5.040 -11.516 5.737 411 HD21 LEU 54 1HD2 LEU 54 -7.898 -9.795 7.440 412 HD22 LEU 54 2HD2 LEU 54 -6.258 -10.394 7.690 413 HD23 LEU 54 3HD2 LEU 54 -7.607 -11.527 7.595 414 H ILE 55 H ILE 55 -9.873 -8.290 3.075 415 HA ILE 55 HA ILE 55 -10.794 -5.941 4.599 416 HB ILE 55 HB ILE 55 -9.818 -5.603 1.809 417 HG12 ILE 55 1HG1 ILE 55 -7.521 -5.102 3.044 418 HG13 ILE 55 2HG1 ILE 55 -8.123 -6.326 4.157 419 HG21 ILE 55 1HG2 ILE 55 -8.863 -3.625 3.561 420 HG22 ILE 55 2HG2 ILE 55 -10.171 -3.491 2.388 421 HG23 ILE 55 3HG2 ILE 55 -10.522 -3.967 4.049 422 HD11 ILE 55 1HD1 ILE 55 -8.453 -7.246 1.477 423 HD12 ILE 55 2HD1 ILE 55 -6.791 -6.706 1.720 424 HD13 ILE 55 3HD1 ILE 55 -7.485 -7.930 2.783 425 H ASP 56 H ASP 56 -12.155 -4.464 3.056 426 HA ASP 56 HA ASP 56 -14.191 -6.196 1.827 427 HB2 ASP 56 1HB ASP 56 -14.467 -3.389 2.923 428 HB3 ASP 56 2HB ASP 56 -15.770 -4.352 2.233 429 H TYR 57 H TYR 57 -11.697 -5.095 0.587 430 HA TYR 57 HA TYR 57 -12.112 -2.980 -1.119 431 HB2 TYR 57 1HB TYR 57 -9.986 -4.307 -0.824 432 HB3 TYR 57 2HB TYR 57 -10.670 -5.515 -1.906 433 HD1 TYR 57 2HD TYR 57 -11.458 -4.626 -4.237 434 HD2 TYR 57 1HD TYR 57 -8.715 -2.581 -1.708 435 HE1 TYR 57 2HE TYR 57 -10.614 -3.371 -6.177 436 HE2 TYR 57 1HE TYR 57 -7.864 -1.320 -3.640 437 HH TYR 57 HH TYR 57 -7.853 -1.196 -5.899 438 H LYS 58 H LYS 58 -13.563 -6.103 -1.193 439 HA LYS 58 HA LYS 58 -14.252 -6.347 -3.884 440 HB2 LYS 58 1HB LYS 58 -15.980 -7.871 -3.160 441 HB3 LYS 58 2HB LYS 58 -14.548 -8.119 -2.170 442 HG2 LYS 58 1HG LYS 58 -15.772 -6.411 -0.579 443 HG3 LYS 58 2HG LYS 58 -17.199 -7.003 -1.433 444 HD2 LYS 58 1HD LYS 58 -16.449 -9.331 -0.882 445 HD3 LYS 58 2HD LYS 58 -15.196 -8.620 0.138 446 HE2 LYS 58 1HE LYS 58 -16.947 -7.480 1.444 447 HE3 LYS 58 2HE LYS 58 -18.176 -8.257 0.447 448 HZ1 LYS 58 1HZ LYS 58 -17.171 -9.253 2.752 449 HZ2 LYS 58 2HZ LYS 58 -16.290 -10.103 1.586 450 HZ3 LYS 58 3HZ LYS 58 -17.980 -10.156 1.573 451 H SER 59 H SER 59 -15.632 -4.386 -1.346 452 HA SER 59 HA SER 59 -17.471 -3.219 -3.326 453 HB2 SER 59 1HB SER 59 -18.685 -4.665 -1.681 454 HB3 SER 59 2HB SER 59 -18.111 -3.606 -0.392 455 HG SER 59 HG SER 59 -20.289 -3.224 -1.453 456 H LEU 60 H LEU 60 -14.832 -2.351 -2.601 457 HA LEU 60 HA LEU 60 -15.275 0.015 -0.948 458 HB2 LEU 60 1HB LEU 60 -12.861 -1.391 -2.006 459 HB3 LEU 60 2HB LEU 60 -12.740 0.289 -1.488 460 HG LEU 60 HG LEU 60 -13.362 -2.137 0.174 461 HD11 LEU 60 1HD1 LEU 60 -10.986 -1.260 -0.374 462 HD12 LEU 60 2HD1 LEU 60 -11.394 -1.669 1.292 463 HD13 LEU 60 3HD1 LEU 60 -11.379 0.018 0.777 464 HD21 LEU 60 1HD2 LEU 60 -14.963 -0.579 0.932 465 HD22 LEU 60 2HD2 LEU 60 -13.830 0.767 0.805 466 HD23 LEU 60 3HD2 LEU 60 -13.609 -0.458 2.056 467 H ASN 61 H ASN 61 -13.951 2.007 -1.813 468 HA ASN 61 HA ASN 61 -13.969 2.373 -4.658 469 HB2 ASN 61 1HB ASN 61 -16.209 3.398 -2.975 470 HB3 ASN 61 2HB ASN 61 -15.610 4.428 -4.272 471 HD21 ASN 61 1HD2 ASN 61 -15.001 2.651 -6.220 472 HD22 ASN 61 2HD2 ASN 61 -16.427 1.831 -6.748 473 HA PRO 62 HA PRO 62 -11.073 5.529 -3.712 474 HB2 PRO 62 1HB PRO 62 -11.538 7.366 -5.656 475 HB3 PRO 62 2HB PRO 62 -10.770 5.805 -5.973 476 HG2 PRO 62 1HG PRO 62 -13.617 6.635 -6.385 477 HG3 PRO 62 2HG PRO 62 -12.565 5.681 -7.447 478 HD2 PRO 62 1HD PRO 62 -14.431 4.548 -5.846 479 HD3 PRO 62 2HD PRO 62 -12.901 3.742 -6.248 480 H GLN 63 H GLN 63 -14.274 5.946 -3.123 481 HA GLN 63 HA GLN 63 -14.311 8.779 -2.617 482 HB2 GLN 63 1HB GLN 63 -16.522 8.243 -1.522 483 HB3 GLN 63 2HB GLN 63 -16.393 7.807 -3.220 484 HG2 GLN 63 1HG GLN 63 -17.520 6.090 -1.881 485 HG3 GLN 63 2HG GLN 63 -16.049 5.495 -2.651 486 HE21 GLN 63 1HE2 GLN 63 -15.569 3.881 -1.258 487 HE22 GLN 63 2HE2 GLN 63 -15.170 4.123 0.405 488 H ASP 64 H ASP 64 -13.428 5.938 -0.885 489 HA ASP 64 HA ASP 64 -13.477 7.357 1.679 490 HB2 ASP 64 1HB ASP 64 -13.376 4.486 0.875 491 HB3 ASP 64 2HB ASP 64 -12.647 4.942 2.412 492 H ILE 65 H ILE 65 -11.714 8.438 2.230 493 HA ILE 65 HA ILE 65 -9.115 7.563 1.180 494 HB ILE 65 HB ILE 65 -9.902 10.207 2.411 495 HG12 ILE 65 1HG1 ILE 65 -9.241 9.499 -0.455 496 HG13 ILE 65 2HG1 ILE 65 -10.864 9.780 0.165 497 HG21 ILE 65 1HG2 ILE 65 -7.658 10.068 2.905 498 HG22 ILE 65 2HG2 ILE 65 -7.295 9.094 1.482 499 HG23 ILE 65 3HG2 ILE 65 -7.615 10.819 1.310 500 HD11 ILE 65 1HD1 ILE 65 -10.205 11.764 -0.910 501 HD12 ILE 65 2HD1 ILE 65 -10.074 12.082 0.820 502 HD13 ILE 65 3HD1 ILE 65 -8.624 11.754 -0.128 503 H LYS 66 H LYS 66 -10.624 8.729 4.185 504 HA LYS 66 HA LYS 66 -8.368 8.088 5.809 505 HB2 LYS 66 1HB LYS 66 -10.169 9.805 6.321 506 HB3 LYS 66 2HB LYS 66 -11.211 8.455 6.752 507 HG2 LYS 66 1HG LYS 66 -9.620 7.782 8.484 508 HG3 LYS 66 2HG LYS 66 -8.586 9.148 8.057 509 HD2 LYS 66 1HD LYS 66 -11.430 9.350 9.048 510 HD3 LYS 66 2HD LYS 66 -9.985 9.617 10.027 511 HE2 LYS 66 1HE LYS 66 -10.541 11.771 9.435 512 HE3 LYS 66 2HE LYS 66 -9.392 11.347 8.167 513 HZ1 LYS 66 1HZ LYS 66 -12.031 10.599 7.435 514 HZ2 LYS 66 2HZ LYS 66 -10.950 11.623 6.633 515 HZ3 LYS 66 3HZ LYS 66 -11.973 12.243 7.829 516 H GLU 67 H GLU 67 -11.455 6.497 5.121 517 HA GLU 67 HA GLU 67 -11.111 4.354 6.932 518 HB2 GLU 67 1HB GLU 67 -13.205 5.206 5.531 519 HB3 GLU 67 2HB GLU 67 -12.664 3.954 4.422 520 HG2 GLU 67 1HG GLU 67 -14.091 2.728 5.679 521 HG3 GLU 67 2HG GLU 67 -12.626 2.513 6.636 522 H ASN 68 H ASN 68 -10.941 4.258 3.368 523 HA ASN 68 HA ASN 68 -9.990 1.821 2.865 524 HB2 ASN 68 1HB ASN 68 -9.236 4.465 1.684 525 HB3 ASN 68 2HB ASN 68 -8.382 3.019 1.152 526 HD21 ASN 68 1HD2 ASN 68 -9.394 3.741 -0.904 527 HD22 ASN 68 2HD2 ASN 68 -10.974 3.144 -1.269 528 H ASN 69 H ASN 69 -7.983 4.481 4.079 529 HA ASN 69 HA ASN 69 -5.576 2.964 4.149 530 HB2 ASN 69 1HB ASN 69 -6.457 5.611 5.227 531 HB3 ASN 69 2HB ASN 69 -4.966 4.900 5.837 532 HD21 ASN 69 1HD2 ASN 69 -6.633 5.726 2.832 533 HD22 ASN 69 2HD2 ASN 69 -5.206 6.133 1.947 534 H LYS 70 H LYS 70 -7.994 3.836 6.589 535 HA LYS 70 HA LYS 70 -6.770 2.808 8.849 536 HB2 LYS 70 1HB LYS 70 -8.817 4.107 8.975 537 HB3 LYS 70 2HB LYS 70 -9.706 2.848 8.129 538 HG2 LYS 70 1HG LYS 70 -10.315 2.380 10.267 539 HG3 LYS 70 2HG LYS 70 -8.868 1.376 10.149 540 HD2 LYS 70 1HD LYS 70 -7.581 3.322 11.106 541 HD3 LYS 70 2HD LYS 70 -9.137 4.089 11.432 542 HE2 LYS 70 1HE LYS 70 -8.312 1.376 12.459 543 HE3 LYS 70 2HE LYS 70 -8.187 2.874 13.381 544 HZ1 LYS 70 1HZ LYS 70 -10.419 2.987 13.678 545 HZ2 LYS 70 2HZ LYS 70 -10.279 1.306 13.554 546 HZ3 LYS 70 3HZ LYS 70 -10.786 2.214 12.219 547 H LYS 71 H LYS 71 -9.078 1.127 6.711 548 HA LYS 71 HA LYS 71 -9.159 -1.337 7.869 549 HB2 LYS 71 1HB LYS 71 -9.225 -0.463 5.006 550 HB3 LYS 71 2HB LYS 71 -9.221 -2.182 5.381 551 HG2 LYS 71 1HG LYS 71 -11.268 -2.025 6.555 552 HG3 LYS 71 2HG LYS 71 -11.212 -0.261 6.555 553 HD2 LYS 71 1HD LYS 71 -11.346 -1.890 4.027 554 HD3 LYS 71 2HD LYS 71 -12.786 -1.335 4.884 555 HE2 LYS 71 1HE LYS 71 -10.700 0.683 4.284 556 HE3 LYS 71 2HE LYS 71 -11.636 0.066 2.923 557 HZ1 LYS 71 1HZ LYS 71 -13.249 0.762 5.197 558 HZ2 LYS 71 2HZ LYS 71 -13.434 1.187 3.571 559 HZ3 LYS 71 3HZ LYS 71 -12.395 2.079 4.564 560 H ALA 72 H ALA 72 -6.833 -0.452 5.308 561 HA ALA 72 HA ALA 72 -5.287 -2.701 5.264 562 HB1 ALA 72 1HB ALA 72 -3.358 -0.872 4.916 563 HB2 ALA 72 2HB ALA 72 -4.556 -1.262 3.680 564 HB3 ALA 72 3HB ALA 72 -4.778 0.154 4.707 565 H TYR 73 H TYR 73 -4.170 0.178 7.039 566 HA TYR 73 HA TYR 73 -2.170 -0.779 8.510 567 HB2 TYR 73 1HB TYR 73 -4.382 0.874 9.742 568 HB3 TYR 73 2HB TYR 73 -2.706 0.798 10.274 569 HD1 TYR 73 1HD TYR 73 -1.328 0.947 7.628 570 HD2 TYR 73 2HD TYR 73 -4.634 3.135 9.174 571 HE1 TYR 73 1HE TYR 73 -0.770 2.827 6.144 572 HE2 TYR 73 2HE TYR 73 -4.085 5.021 7.694 573 HH TYR 73 HH TYR 73 -1.133 5.222 5.991 574 H ASP 74 H ASP 74 -5.567 -1.106 9.536 575 HA ASP 74 HA ASP 74 -5.220 -2.532 11.859 576 HB2 ASP 74 1HB ASP 74 -7.382 -2.386 9.821 577 HB3 ASP 74 2HB ASP 74 -7.463 -3.701 10.989 578 H GLY 75 H GLY 75 -5.364 -3.794 8.545 579 HA2 GLY 75 1HA GLY 75 -4.990 -6.519 9.410 580 HA3 GLY 75 2HA GLY 75 -5.016 -5.944 7.750 581 H PHE 76 H PHE 76 -2.997 -4.238 7.527 582 HA PHE 76 HA PHE 76 -0.746 -5.779 7.213 583 HB2 PHE 76 1HB PHE 76 -1.035 -2.805 7.618 584 HB3 PHE 76 2HB PHE 76 0.513 -3.558 7.252 585 HD1 PHE 76 1HD PHE 76 -0.136 -5.558 5.276 586 HD2 PHE 76 2HD PHE 76 -1.695 -1.626 5.755 587 HE1 PHE 76 1HE PHE 76 -0.663 -5.478 2.874 588 HE2 PHE 76 2HE PHE 76 -2.226 -1.541 3.354 589 HZ PHE 76 HZ PHE 76 -1.711 -3.468 1.911 590 H ALA 77 H ALA 77 -1.424 -3.558 9.913 591 HA ALA 77 HA ALA 77 0.908 -4.234 11.377 592 HB1 ALA 77 1HB ALA 77 -1.186 -3.316 13.102 593 HB2 ALA 77 2HB ALA 77 0.281 -2.483 12.587 594 HB3 ALA 77 3HB ALA 77 -1.184 -2.373 11.611 595 H SER 78 H SER 78 -2.167 -5.739 11.016 596 HA SER 78 HA SER 78 -2.483 -7.092 13.412 597 HB2 SER 78 1HB SER 78 -4.064 -7.047 11.414 598 HB3 SER 78 2HB SER 78 -3.069 -8.326 10.718 599 HG SER 78 HG SER 78 -3.607 -9.033 13.200 600 H ILE 79 H ILE 79 -0.572 -8.015 10.573 601 HA ILE 79 HA ILE 79 0.332 -10.473 11.740 602 HB ILE 79 HB ILE 79 1.984 -10.437 9.819 603 HG12 ILE 79 1HG1 ILE 79 0.320 -8.088 8.900 604 HG13 ILE 79 2HG1 ILE 79 1.928 -7.926 9.597 605 HG21 ILE 79 1HG2 ILE 79 -0.986 -10.314 9.391 606 HG22 ILE 79 2HG2 ILE 79 0.134 -10.733 8.095 607 HG23 ILE 79 3HG2 ILE 79 0.046 -11.735 9.544 608 HD11 ILE 79 1HD1 ILE 79 1.953 -9.845 7.464 609 HD12 ILE 79 2HD1 ILE 79 1.268 -8.313 6.920 610 HD13 ILE 79 3HD1 ILE 79 2.874 -8.352 7.647 611 H GLY 80 H GLY 80 1.631 -7.211 11.392 612 HA2 GLY 80 1HA GLY 80 3.070 -6.841 13.551 613 HA3 GLY 80 2HA GLY 80 4.099 -8.019 12.750 614 H ILE 81 H ILE 81 2.250 -5.544 11.080 615 HA ILE 81 HA ILE 81 4.789 -4.370 10.177 616 HB ILE 81 HB ILE 81 2.049 -4.195 8.917 617 HG12 ILE 81 1HG1 ILE 81 4.524 -5.702 8.045 618 HG13 ILE 81 2HG1 ILE 81 3.087 -6.430 8.753 619 HG21 ILE 81 1HG2 ILE 81 4.106 -3.485 7.116 620 HG22 ILE 81 2HG2 ILE 81 2.819 -2.467 7.760 621 HG23 ILE 81 3HG2 ILE 81 4.366 -2.567 8.599 622 HD11 ILE 81 1HD1 ILE 81 3.582 -6.147 6.086 623 HD12 ILE 81 2HD1 ILE 81 1.997 -6.416 6.812 624 HD13 ILE 81 3HD1 ILE 81 2.522 -4.778 6.422 625 H SER 82 H SER 82 5.237 -2.834 11.692 626 HA SER 82 HA SER 82 3.580 -1.235 13.143 627 HB2 SER 82 1HB SER 82 5.932 -1.140 13.554 628 HB3 SER 82 2HB SER 82 6.262 -0.572 11.917 629 HG SER 82 HG SER 82 5.762 0.873 14.088 630 H ARG 83 H ARG 83 2.582 0.758 12.905 631 HA ARG 83 HA ARG 83 1.921 1.458 10.147 632 HB2 ARG 83 1HB ARG 83 0.683 2.428 12.729 633 HB3 ARG 83 2HB ARG 83 0.074 2.733 11.108 634 HG2 ARG 83 1HG ARG 83 -0.720 0.597 10.853 635 HG3 ARG 83 2HG ARG 83 0.427 -0.082 12.010 636 HD2 ARG 83 1HD ARG 83 -1.792 -0.119 12.958 637 HD3 ARG 83 2HD ARG 83 -0.796 1.043 13.833 638 HE ARG 83 HE ARG 83 -2.375 2.174 11.698 639 HH11 ARG 83 1HH1 ARG 83 -2.242 1.346 15.077 640 HH12 ARG 83 2HH1 ARG 83 -3.466 2.482 15.537 641 HH21 ARG 83 1HH2 ARG 83 -3.988 3.673 12.292 642 HH22 ARG 83 2HH2 ARG 83 -4.460 3.804 13.952 643 H LEU 84 H LEU 84 3.353 2.830 9.277 644 HA LEU 84 HA LEU 84 4.599 4.902 10.876 645 HB2 LEU 84 1HB LEU 84 4.849 4.340 7.925 646 HB3 LEU 84 2HB LEU 84 5.880 5.404 8.879 647 HG LEU 84 HG LEU 84 5.693 2.406 9.169 648 HD11 LEU 84 1HD1 LEU 84 6.846 3.534 7.110 649 HD12 LEU 84 2HD1 LEU 84 7.637 2.211 7.966 650 HD13 LEU 84 3HD1 LEU 84 8.126 3.877 8.274 651 HD21 LEU 84 1HD2 LEU 84 6.203 3.794 11.242 652 HD22 LEU 84 2HD2 LEU 84 7.707 4.242 10.436 653 HD23 LEU 84 3HD2 LEU 84 7.372 2.549 10.804 654 H LEU 85 H LEU 85 2.585 4.778 7.938 655 HA LEU 85 HA LEU 85 2.060 7.626 8.123 656 HB2 LEU 85 1HB LEU 85 2.439 6.324 5.967 657 HB3 LEU 85 2HB LEU 85 0.812 5.688 6.196 658 HG LEU 85 HG LEU 85 -0.076 7.985 6.084 659 HD11 LEU 85 1HD1 LEU 85 2.216 9.231 4.885 660 HD12 LEU 85 2HD1 LEU 85 2.591 8.705 6.526 661 HD13 LEU 85 3HD1 LEU 85 1.221 9.777 6.235 662 HD21 LEU 85 1HD2 LEU 85 1.650 7.247 3.722 663 HD22 LEU 85 2HD2 LEU 85 0.223 8.285 3.699 664 HD23 LEU 85 3HD2 LEU 85 0.061 6.568 4.075 665 H GLU 86 H GLU 86 -0.078 8.511 8.223 666 HA GLU 86 HA GLU 86 -1.932 6.801 9.741 667 HB2 GLU 86 1HB GLU 86 -1.383 9.757 9.832 668 HB3 GLU 86 2HB GLU 86 -2.878 9.087 10.471 669 HG2 GLU 86 1HG GLU 86 -1.742 7.855 12.123 670 HG3 GLU 86 2HG GLU 86 -0.179 8.114 11.349 671 HA PRO 87 HA PRO 87 -4.925 7.109 6.539 672 HB2 PRO 87 1HB PRO 87 -7.201 6.847 7.995 673 HB3 PRO 87 2HB PRO 87 -6.103 5.499 7.677 674 HG2 PRO 87 1HG PRO 87 -6.341 7.212 10.120 675 HG3 PRO 87 2HG PRO 87 -6.137 5.455 10.002 676 HD2 PRO 87 1HD PRO 87 -4.079 7.127 10.549 677 HD3 PRO 87 2HD PRO 87 -3.866 5.616 9.641 678 H SER 88 H SER 88 -5.735 8.988 9.461 679 HA SER 88 HA SER 88 -7.470 10.798 8.187 680 HB2 SER 88 1HB SER 88 -7.057 12.238 10.203 681 HB3 SER 88 2HB SER 88 -7.526 10.581 10.586 682 HG SER 88 HG SER 88 -5.191 11.909 11.114 683 H ASP 89 H ASP 89 -4.012 11.014 8.948 684 HA ASP 89 HA ASP 89 -3.399 13.562 8.246 685 HB2 ASP 89 1HB ASP 89 -1.945 10.978 7.950 686 HB3 ASP 89 2HB ASP 89 -1.270 12.395 7.151 687 H MET 90 H MET 90 -3.653 10.839 5.962 688 HA MET 90 HA MET 90 -3.076 12.145 3.612 689 HB2 MET 90 1HB MET 90 -5.205 10.031 3.994 690 HB3 MET 90 2HB MET 90 -4.418 10.445 2.477 691 HG2 MET 90 1HG MET 90 -2.747 9.587 4.786 692 HG3 MET 90 2HG MET 90 -3.649 8.377 3.876 693 HE1 MET 90 1HE MET 90 -2.727 7.370 1.528 694 HE2 MET 90 2HE MET 90 -0.964 7.391 1.596 695 HE3 MET 90 3HE MET 90 -1.899 7.013 3.044 696 H VAL 91 H VAL 91 -6.023 12.246 5.500 697 HA VAL 91 HA VAL 91 -7.480 13.700 3.461 698 HB VAL 91 HB VAL 91 -8.273 13.174 6.328 699 HG11 VAL 91 1HG1 VAL 91 -10.351 13.456 4.294 700 HG12 VAL 91 2HG1 VAL 91 -10.225 14.182 5.898 701 HG13 VAL 91 3HG1 VAL 91 -9.387 14.913 4.529 702 HG21 VAL 91 1HG2 VAL 91 -8.625 11.550 3.829 703 HG22 VAL 91 2HG2 VAL 91 -8.015 11.040 5.403 704 HG23 VAL 91 3HG2 VAL 91 -9.730 11.394 5.195 705 H LEU 92 H LEU 92 -5.961 14.360 6.585 706 HA LEU 92 HA LEU 92 -6.807 16.953 7.017 707 HB2 LEU 92 1HB LEU 92 -4.104 15.747 7.583 708 HB3 LEU 92 2HB LEU 92 -4.690 17.265 8.260 709 HG LEU 92 HG LEU 92 -5.915 14.552 8.756 710 HD11 LEU 92 1HD1 LEU 92 -4.021 14.378 10.002 711 HD12 LEU 92 2HD1 LEU 92 -5.021 15.278 11.142 712 HD13 LEU 92 3HD1 LEU 92 -3.827 16.125 10.158 713 HD21 LEU 92 1HD2 LEU 92 -6.902 16.033 10.697 714 HD22 LEU 92 2HD2 LEU 92 -7.674 15.969 9.112 715 HD23 LEU 92 3HD2 LEU 92 -6.636 17.332 9.534 716 H LEU 93 H LEU 93 -3.950 15.877 5.188 717 HA LEU 93 HA LEU 93 -3.651 18.592 4.125 718 HB2 LEU 93 1HB LEU 93 -1.463 17.789 3.303 719 HB3 LEU 93 2HB LEU 93 -1.640 17.686 5.054 720 HG LEU 93 HG LEU 93 -2.283 15.205 4.563 721 HD11 LEU 93 1HD1 LEU 93 -2.413 15.302 2.180 722 HD12 LEU 93 2HD1 LEU 93 -1.004 14.332 2.609 723 HD13 LEU 93 3HD1 LEU 93 -0.796 15.997 2.066 724 HD21 LEU 93 1HD2 LEU 93 -0.141 14.597 5.144 725 HD22 LEU 93 2HD2 LEU 93 -0.163 16.292 5.632 726 HD23 LEU 93 3HD2 LEU 93 0.603 15.820 4.114 727 H ALA 94 H ALA 94 -2.627 18.422 1.751 728 HA ALA 94 HA ALA 94 -4.723 17.183 0.153 729 HB1 ALA 94 1HB ALA 94 -2.700 19.319 -0.315 730 HB2 ALA 94 2HB ALA 94 -3.374 18.461 -1.701 731 HB3 ALA 94 3HB ALA 94 -4.441 19.330 -0.598 732 H ILE 95 H ILE 95 -1.170 17.436 -0.111 733 HA ILE 95 HA ILE 95 -1.174 14.745 -1.315 734 HB ILE 95 HB ILE 95 0.824 16.965 -1.767 735 HG12 ILE 95 1HG1 ILE 95 -1.438 17.297 -2.813 736 HG13 ILE 95 2HG1 ILE 95 -0.112 17.192 -3.966 737 HG21 ILE 95 1HG2 ILE 95 1.931 14.858 -1.922 738 HG22 ILE 95 2HG2 ILE 95 0.621 14.178 -2.887 739 HG23 ILE 95 3HG2 ILE 95 1.655 15.436 -3.565 740 HD11 ILE 95 1HD1 ILE 95 -0.934 15.347 -4.918 741 HD12 ILE 95 2HD1 ILE 95 -1.400 14.635 -3.373 742 HD13 ILE 95 3HD1 ILE 95 -2.445 15.827 -4.145 743 HA PRO 96 HA PRO 96 1.129 13.544 2.281 744 HB2 PRO 96 1HB PRO 96 1.766 11.047 1.425 745 HB3 PRO 96 2HB PRO 96 0.156 11.480 2.013 746 HG2 PRO 96 1HG PRO 96 1.141 11.235 -0.803 747 HG3 PRO 96 2HG PRO 96 -0.387 10.674 -0.099 748 HD2 PRO 96 1HD PRO 96 -0.201 12.953 -1.550 749 HD3 PRO 96 2HD PRO 96 -1.351 12.765 -0.211 750 H ASP 97 H ASP 97 3.304 12.257 2.581 751 HA ASP 97 HA ASP 97 5.282 13.615 0.897 752 HB2 ASP 97 1HB ASP 97 5.246 12.637 3.709 753 HB3 ASP 97 2HB ASP 97 6.792 12.630 2.866 754 H LYS 98 H LYS 98 5.639 12.351 -0.851 755 HA LYS 98 HA LYS 98 5.471 9.735 -1.310 756 HB2 LYS 98 1HB LYS 98 6.281 11.191 -3.033 757 HB3 LYS 98 2HB LYS 98 7.744 11.546 -2.124 758 HG2 LYS 98 1HG LYS 98 8.058 8.922 -2.327 759 HG3 LYS 98 2HG LYS 98 7.047 9.172 -3.752 760 HD2 LYS 98 1HD LYS 98 9.443 10.901 -3.252 761 HD3 LYS 98 2HD LYS 98 9.620 9.310 -3.997 762 HE2 LYS 98 1HE LYS 98 8.341 9.919 -5.863 763 HE3 LYS 98 2HE LYS 98 7.659 11.325 -5.046 764 HZ1 LYS 98 1HZ LYS 98 10.336 10.990 -6.227 765 HZ2 LYS 98 2HZ LYS 98 10.094 12.121 -4.992 766 HZ3 LYS 98 3HZ LYS 98 9.226 12.249 -6.439 767 H LEU 99 H LEU 99 8.467 11.150 0.018 768 HA LEU 99 HA LEU 99 9.864 8.831 0.499 769 HB2 LEU 99 1HB LEU 99 9.855 11.160 2.401 770 HB3 LEU 99 2HB LEU 99 11.176 10.045 2.057 771 HG LEU 99 HG LEU 99 10.088 12.150 0.189 772 HD11 LEU 99 1HD1 LEU 99 12.834 12.030 1.385 773 HD12 LEU 99 2HD1 LEU 99 11.501 12.837 2.210 774 HD13 LEU 99 3HD1 LEU 99 12.017 13.391 0.617 775 HD21 LEU 99 1HD2 LEU 99 11.720 9.786 -0.261 776 HD22 LEU 99 2HD2 LEU 99 12.518 11.274 -0.774 777 HD23 LEU 99 3HD2 LEU 99 10.930 10.855 -1.420 778 H THR 100 H THR 100 7.500 10.417 2.616 779 HA THR 100 HA THR 100 7.739 8.668 4.798 780 HB THR 100 HB THR 100 5.306 10.229 3.907 781 HG1 THR 100 1HG THR 100 7.361 10.872 5.779 782 HG21 THR 100 1HG2 THR 100 5.961 9.206 6.668 783 HG22 THR 100 2HG2 THR 100 4.888 8.367 5.548 784 HG23 THR 100 3HG2 THR 100 4.471 9.978 6.129 785 H VAL 101 H VAL 101 5.389 8.667 2.118 786 HA VAL 101 HA VAL 101 4.050 6.316 2.890 787 HB VAL 101 HB VAL 101 4.344 7.526 0.138 788 HG11 VAL 101 1HG1 VAL 101 1.927 6.037 0.534 789 HG12 VAL 101 2HG1 VAL 101 3.178 5.828 -0.692 790 HG13 VAL 101 3HG1 VAL 101 3.323 5.012 0.865 791 HG21 VAL 101 1HG2 VAL 101 1.875 7.713 1.792 792 HG22 VAL 101 2HG2 VAL 101 3.230 8.776 2.171 793 HG23 VAL 101 3HG2 VAL 101 2.498 8.818 0.567 794 H MET 102 H MET 102 6.319 6.723 0.162 795 HA MET 102 HA MET 102 6.684 4.173 -0.625 796 HB2 MET 102 1HB MET 102 8.736 6.354 -0.296 797 HB3 MET 102 2HB MET 102 9.129 4.809 -1.037 798 HG2 MET 102 1HG MET 102 7.360 5.206 -2.713 799 HG3 MET 102 2HG MET 102 7.083 6.793 -1.999 800 HE1 MET 102 1HE MET 102 10.404 4.767 -3.702 801 HE2 MET 102 2HE MET 102 8.740 4.618 -4.266 802 HE3 MET 102 3HE MET 102 9.893 5.599 -5.171 803 H THR 103 H THR 103 8.416 5.685 2.091 804 HA THR 103 HA THR 103 10.005 3.556 2.852 805 HB THR 103 HB THR 103 8.653 5.534 4.698 806 HG1 THR 103 1HG THR 103 10.596 5.818 2.831 807 HG21 THR 103 1HG2 THR 103 10.601 5.087 6.168 808 HG22 THR 103 2HG2 THR 103 11.096 3.798 5.070 809 HG23 THR 103 3HG2 THR 103 9.570 3.674 5.945 810 H TYR 104 H TYR 104 6.708 4.310 3.962 811 HA TYR 104 HA TYR 104 6.401 2.166 5.716 812 HB2 TYR 104 1HB TYR 104 4.823 4.010 5.677 813 HB3 TYR 104 2HB TYR 104 4.324 3.592 4.042 814 HD1 TYR 104 2HD TYR 104 4.792 1.559 7.145 815 HD2 TYR 104 1HD TYR 104 2.143 2.840 4.072 816 HE1 TYR 104 2HE TYR 104 3.035 0.102 8.061 817 HE2 TYR 104 1HE TYR 104 0.378 1.387 4.980 818 HH TYR 104 HH TYR 104 0.200 -0.645 6.370 819 H LEU 105 H LEU 105 5.634 2.395 2.257 820 HA LEU 105 HA LEU 105 4.461 -0.082 1.882 821 HB2 LEU 105 1HB LEU 105 5.995 1.787 0.162 822 HB3 LEU 105 2HB LEU 105 5.729 0.154 -0.444 823 HG LEU 105 HG LEU 105 3.487 1.952 0.455 824 HD11 LEU 105 1HD1 LEU 105 4.571 3.102 -1.341 825 HD12 LEU 105 2HD1 LEU 105 3.109 2.345 -1.972 826 HD13 LEU 105 3HD1 LEU 105 4.684 1.619 -2.289 827 HD21 LEU 105 1HD2 LEU 105 3.305 -0.627 0.229 828 HD22 LEU 105 2HD2 LEU 105 3.315 -0.300 -1.504 829 HD23 LEU 105 3HD2 LEU 105 2.057 0.397 -0.482 830 H TYR 106 H TYR 106 7.895 0.703 1.302 831 HA TYR 106 HA TYR 106 8.969 -1.661 0.670 832 HB2 TYR 106 1HB TYR 106 9.961 0.504 2.477 833 HB3 TYR 106 2HB TYR 106 10.904 -0.975 2.331 834 HD1 TYR 106 2HD TYR 106 11.349 -1.745 -0.164 835 HD2 TYR 106 1HD TYR 106 10.397 2.233 1.008 836 HE1 TYR 106 2HE TYR 106 12.366 -0.897 -2.237 837 HE2 TYR 106 1HE TYR 106 11.410 3.092 -1.062 838 HH TYR 106 HH TYR 106 12.347 1.010 -3.650 839 H GLN 107 H GLN 107 7.892 -0.763 3.907 840 HA GLN 107 HA GLN 107 8.869 -2.986 5.298 841 HB2 GLN 107 1HB GLN 107 6.357 -1.400 5.856 842 HB3 GLN 107 2HB GLN 107 7.189 -2.446 6.999 843 HG2 GLN 107 1HG GLN 107 8.525 -0.082 5.723 844 HG3 GLN 107 2HG GLN 107 7.586 0.047 7.209 845 HE21 GLN 107 1HE2 GLN 107 8.491 -0.534 9.093 846 HE22 GLN 107 2HE2 GLN 107 10.083 -1.184 9.259 847 H ILE 108 H ILE 108 5.771 -2.473 3.652 848 HA ILE 108 HA ILE 108 4.720 -5.035 4.335 849 HB ILE 108 HB ILE 108 3.893 -3.047 2.221 850 HG12 ILE 108 1HG1 ILE 108 1.866 -3.178 4.019 851 HG13 ILE 108 2HG1 ILE 108 3.241 -3.501 5.069 852 HG21 ILE 108 1HG2 ILE 108 3.312 -5.440 1.687 853 HG22 ILE 108 2HG2 ILE 108 2.313 -5.436 3.139 854 HG23 ILE 108 3HG2 ILE 108 1.944 -4.334 1.813 855 HD11 ILE 108 1HD1 ILE 108 3.027 -1.213 5.200 856 HD12 ILE 108 2HD1 ILE 108 4.263 -1.402 3.956 857 HD13 ILE 108 3HD1 ILE 108 2.596 -1.050 3.498 858 H ARG 109 H ARG 109 5.883 -3.689 1.241 859 HA ARG 109 HA ARG 109 5.746 -6.017 -0.260 860 HB2 ARG 109 1HB ARG 109 6.140 -3.997 -1.419 861 HB3 ARG 109 2HB ARG 109 7.549 -3.613 -0.438 862 HG2 ARG 109 1HG ARG 109 7.633 -6.088 -2.071 863 HG3 ARG 109 2HG ARG 109 7.763 -4.537 -2.903 864 HD2 ARG 109 1HD ARG 109 9.622 -3.923 -1.405 865 HD3 ARG 109 2HD ARG 109 9.509 -5.509 -0.644 866 HE ARG 109 HE ARG 109 9.866 -6.168 -3.210 867 HH11 ARG 109 1HH1 ARG 109 11.518 -3.883 -1.168 868 HH12 ARG 109 2HH1 ARG 109 13.034 -4.047 -1.990 869 HH21 ARG 109 1HH2 ARG 109 11.856 -6.392 -4.301 870 HH22 ARG 109 2HH2 ARG 109 13.225 -5.473 -3.773 871 H ALA 110 H ALA 110 8.178 -4.955 2.023 872 HA ALA 110 HA ALA 110 10.139 -6.901 1.310 873 HB1 ALA 110 1HB ALA 110 11.130 -6.277 3.550 874 HB2 ALA 110 2HB ALA 110 10.925 -4.956 2.399 875 HB3 ALA 110 3HB ALA 110 9.784 -5.151 3.730 876 H HIS 111 H HIS 111 7.656 -6.700 3.833 877 HA HIS 111 HA HIS 111 8.264 -8.959 5.299 878 HB2 HIS 111 1HB HIS 111 6.553 -7.554 6.127 879 HB3 HIS 111 2HB HIS 111 5.624 -7.669 4.635 880 HD1 HIS 111 1HD HIS 111 6.095 -9.266 7.915 881 HD2 HIS 111 2HD HIS 111 4.259 -10.178 4.301 882 HE1 HIS 111 1HE HIS 111 4.563 -11.198 8.408 883 HE2 HIS 111 2HE HIS 111 3.527 -11.788 6.189 884 H PHE 112 H PHE 112 5.980 -8.782 2.563 885 HA PHE 112 HA PHE 112 5.653 -11.604 2.411 886 HB2 PHE 112 1HB PHE 112 4.999 -9.403 0.444 887 HB3 PHE 112 2HB PHE 112 4.545 -11.089 0.219 888 HD1 PHE 112 1HD PHE 112 3.082 -12.167 2.011 889 HD2 PHE 112 2HD PHE 112 3.637 -7.962 1.654 890 HE1 PHE 112 1HE PHE 112 1.027 -11.788 3.311 891 HE2 PHE 112 2HE PHE 112 1.585 -7.577 2.954 892 HZ PHE 112 HZ PHE 112 0.277 -9.491 3.785 893 H SER 113 H SER 113 7.198 -9.332 0.131 894 HA SER 113 HA SER 113 8.712 -11.557 -1.007 895 HB2 SER 113 1HB SER 113 7.519 -9.958 -2.511 896 HB3 SER 113 2HB SER 113 8.586 -8.677 -1.934 897 HG SER 113 HG SER 113 9.747 -11.022 -2.914 898 H SER 114 H SER 114 10.685 -11.985 -0.304 899 HA SER 114 HA SER 114 12.137 -9.989 1.245 900 HB2 SER 114 1HB SER 114 11.820 -12.535 1.820 901 HB3 SER 114 2HB SER 114 13.185 -12.748 0.723 902 HG SER 114 HG SER 114 13.080 -11.547 3.231 903 H GLY 115 H GLY 115 13.967 -8.990 0.603 904 HA2 GLY 115 1HA GLY 115 14.599 -8.694 -2.079 905 HA3 GLY 115 2HA GLY 115 15.684 -8.297 -0.755 906 HA PRO 116 HA PRO 116 18.397 -11.429 -2.212 907 HB2 PRO 116 1HB PRO 116 19.806 -11.887 0.062 908 HB3 PRO 116 2HB PRO 116 20.010 -10.429 -0.917 909 HG2 PRO 116 1HG PRO 116 18.423 -10.819 1.591 910 HG3 PRO 116 2HG PRO 116 19.477 -9.469 1.133 911 HD2 PRO 116 1HD PRO 116 16.780 -9.347 0.926 912 HD3 PRO 116 2HD PRO 116 17.863 -8.495 -0.193 913 H SER 117 H SER 117 18.488 -13.621 -2.341 914 HA SER 117 HA SER 117 16.965 -15.151 -0.333 915 HB2 SER 117 1HB SER 117 16.336 -16.703 -2.172 916 HB3 SER 117 2HB SER 117 15.715 -15.072 -2.420 917 HG SER 117 HG SER 117 17.947 -14.952 -3.609 918 H SER 118 H SER 118 19.859 -14.826 -2.165 919 HA SER 118 HA SER 118 20.816 -17.443 -1.221 920 HB2 SER 118 1HB SER 118 22.529 -17.299 -2.946 921 HB3 SER 118 2HB SER 118 20.942 -17.039 -3.671 922 HG SER 118 HG SER 118 22.832 -15.527 -4.143 923 H GLY 119 H GLY 119 21.638 -17.133 0.774 924 HA2 GLY 119 1HA GLY 119 23.332 -16.579 2.257 925 HA3 GLY 119 2HA GLY 119 24.048 -15.568 1.011 Start of MODEL 16 1 H1 GLY 1 H GLY 1 14.910 -9.830 -15.957 2 HA2 GLY 1 1HA GLY 1 14.523 -12.598 -15.679 3 HA3 GLY 1 2HA GLY 1 15.992 -12.339 -16.607 4 H SER 2 H SER 2 15.231 -13.255 -13.738 5 HA SER 2 HA SER 2 16.760 -11.354 -12.153 6 HB2 SER 2 1HB SER 2 14.621 -12.607 -11.391 7 HB3 SER 2 2HB SER 2 15.698 -13.980 -11.137 8 HG SER 2 HG SER 2 15.375 -11.727 -9.645 9 H SER 3 H SER 3 18.795 -11.654 -13.203 10 HA SER 3 HA SER 3 20.201 -13.908 -13.717 11 HB2 SER 3 1HB SER 3 21.282 -11.400 -12.409 12 HB3 SER 3 2HB SER 3 22.267 -12.632 -13.197 13 HG SER 3 HG SER 3 20.162 -11.288 -14.527 14 H GLY 4 H GLY 4 20.430 -12.218 -10.576 15 HA2 GLY 4 1HA GLY 4 19.954 -14.160 -8.796 16 HA3 GLY 4 2HA GLY 4 21.557 -14.605 -9.361 17 H SER 5 H SER 5 19.881 -11.615 -8.368 18 HA SER 5 HA SER 5 22.205 -11.022 -6.654 19 HB2 SER 5 1HB SER 5 21.766 -8.616 -7.078 20 HB3 SER 5 2HB SER 5 22.178 -9.493 -8.552 21 HG SER 5 HG SER 5 19.492 -9.448 -8.006 22 H SER 6 H SER 6 21.814 -10.459 -4.582 23 HA SER 6 HA SER 6 19.105 -10.777 -3.607 24 HB2 SER 6 1HB SER 6 21.692 -10.282 -2.113 25 HB3 SER 6 2HB SER 6 20.142 -10.669 -1.368 26 HG SER 6 HG SER 6 20.458 -12.542 -3.098 27 H GLY 7 H GLY 7 18.200 -9.249 -2.012 28 HA2 GLY 7 1HA GLY 7 17.532 -7.146 -1.373 29 HA3 GLY 7 2HA GLY 7 19.154 -6.597 -1.768 30 HA PRO 8 HA PRO 8 16.383 -6.212 -5.747 31 HB2 PRO 8 1HB PRO 8 13.712 -6.135 -5.263 32 HB3 PRO 8 2HB PRO 8 14.581 -7.632 -5.622 33 HG2 PRO 8 1HG PRO 8 13.726 -6.526 -2.974 34 HG3 PRO 8 2HG PRO 8 13.636 -8.193 -3.572 35 HD2 PRO 8 1HD PRO 8 15.585 -7.352 -1.891 36 HD3 PRO 8 2HD PRO 8 15.855 -8.611 -3.113 37 H ASN 9 H ASN 9 16.409 -4.640 -2.823 38 HA ASN 9 HA ASN 9 14.812 -2.509 -2.772 39 HB2 ASN 9 1HB ASN 9 17.819 -2.262 -2.535 40 HB3 ASN 9 2HB ASN 9 16.622 -1.179 -1.830 41 HD21 ASN 9 1HD2 ASN 9 16.327 -1.481 0.244 42 HD22 ASN 9 2HD2 ASN 9 16.454 -2.982 1.090 43 H ALA 10 H ALA 10 13.972 -1.761 -4.676 44 HA ALA 10 HA ALA 10 15.544 0.165 -6.108 45 HB1 ALA 10 1HB ALA 10 15.519 -2.459 -7.119 46 HB2 ALA 10 2HB ALA 10 14.469 -1.505 -8.167 47 HB3 ALA 10 3HB ALA 10 16.138 -1.003 -7.898 48 H SER 11 H SER 11 14.264 1.791 -6.720 49 HA SER 11 HA SER 11 11.656 2.095 -6.035 50 HB2 SER 11 1HB SER 11 11.520 3.838 -7.849 51 HB3 SER 11 2HB SER 11 12.925 3.990 -6.794 52 HG SER 11 HG SER 11 13.962 4.005 -8.629 53 H GLN 12 H GLN 12 12.717 1.246 -9.336 54 HA GLN 12 HA GLN 12 10.250 0.804 -10.472 55 HB2 GLN 12 1HB GLN 12 12.403 0.793 -11.698 56 HB3 GLN 12 2HB GLN 12 12.765 -0.784 -11.010 57 HG2 GLN 12 1HG GLN 12 11.971 -1.192 -13.180 58 HG3 GLN 12 2HG GLN 12 10.645 -1.609 -12.096 59 HE21 GLN 12 1HE2 GLN 12 8.726 -0.753 -12.492 60 HE22 GLN 12 2HE2 GLN 12 8.414 0.578 -13.548 61 H SER 13 H SER 13 12.325 -1.642 -8.918 62 HA SER 13 HA SER 13 10.718 -3.851 -9.168 63 HB2 SER 13 1HB SER 13 12.702 -2.984 -7.110 64 HB3 SER 13 2HB SER 13 11.721 -4.412 -6.779 65 HG SER 13 HG SER 13 12.503 -5.330 -8.691 66 H LEU 14 H LEU 14 10.631 -1.449 -6.545 67 HA LEU 14 HA LEU 14 8.554 -2.595 -5.069 68 HB2 LEU 14 1HB LEU 14 9.905 -0.863 -4.124 69 HB3 LEU 14 2HB LEU 14 9.412 0.275 -5.376 70 HG LEU 14 HG LEU 14 7.095 0.181 -4.444 71 HD11 LEU 14 1HD1 LEU 14 7.132 -1.928 -3.319 72 HD12 LEU 14 2HD1 LEU 14 6.888 -0.666 -2.111 73 HD13 LEU 14 3HD1 LEU 14 8.473 -1.417 -2.294 74 HD21 LEU 14 1HD2 LEU 14 7.538 1.908 -3.052 75 HD22 LEU 14 2HD2 LEU 14 9.152 1.749 -3.746 76 HD23 LEU 14 3HD2 LEU 14 8.791 1.028 -2.177 77 H LEU 15 H LEU 15 8.334 0.162 -7.328 78 HA LEU 15 HA LEU 15 5.622 0.503 -7.379 79 HB2 LEU 15 1HB LEU 15 7.305 1.891 -8.568 80 HB3 LEU 15 2HB LEU 15 7.419 0.632 -9.796 81 HG LEU 15 HG LEU 15 4.847 1.046 -10.039 82 HD11 LEU 15 1HD1 LEU 15 5.816 3.582 -8.740 83 HD12 LEU 15 2HD1 LEU 15 4.506 2.528 -8.208 84 HD13 LEU 15 3HD1 LEU 15 4.334 3.468 -9.690 85 HD21 LEU 15 1HD2 LEU 15 6.708 3.163 -11.082 86 HD22 LEU 15 2HD2 LEU 15 5.280 2.477 -11.856 87 HD23 LEU 15 3HD2 LEU 15 6.739 1.502 -11.674 88 H VAL 16 H VAL 16 7.506 -1.762 -9.365 89 HA VAL 16 HA VAL 16 5.344 -2.818 -10.819 90 HB VAL 16 HB VAL 16 7.939 -4.174 -10.073 91 HG11 VAL 16 1HG1 VAL 16 5.671 -5.282 -11.232 92 HG12 VAL 16 2HG1 VAL 16 6.748 -4.951 -12.591 93 HG13 VAL 16 3HG1 VAL 16 7.301 -5.953 -11.249 94 HG21 VAL 16 1HG2 VAL 16 7.298 -2.033 -11.915 95 HG22 VAL 16 2HG2 VAL 16 8.871 -2.646 -11.402 96 HG23 VAL 16 3HG2 VAL 16 8.019 -3.416 -12.740 97 H TRP 17 H TRP 17 6.862 -3.865 -7.791 98 HA TRP 17 HA TRP 17 5.506 -6.237 -7.376 99 HB2 TRP 17 1HB TRP 17 7.335 -5.516 -5.936 100 HB3 TRP 17 2HB TRP 17 6.360 -4.181 -5.326 101 HD1 TRP 17 HD TRP 17 6.790 -7.965 -5.014 102 HE1 TRP 17 1HE TRP 17 5.501 -8.773 -2.937 103 HE3 TRP 17 3HE TRP 17 4.359 -3.627 -3.827 104 HZ2 TRP 17 2HZ TRP 17 3.693 -7.713 -1.047 105 HZ3 TRP 17 3HZ TRP 17 2.867 -3.608 -1.870 106 HH2 TRP 17 HH TRP 17 2.542 -5.610 -0.510 107 H CYS 18 H CYS 18 4.506 -2.948 -6.485 108 HA CYS 18 HA CYS 18 2.089 -3.690 -5.236 109 HB2 CYS 18 1HB CYS 18 2.678 -1.072 -6.627 110 HB3 CYS 18 2HB CYS 18 1.494 -1.354 -5.357 111 HG CYS 18 HG CYS 18 4.885 -1.196 -5.080 112 H LYS 19 H LYS 19 2.715 -2.427 -8.508 113 HA LYS 19 HA LYS 19 0.083 -2.577 -9.441 114 HB2 LYS 19 1HB LYS 19 2.665 -2.847 -10.992 115 HB3 LYS 19 2HB LYS 19 1.086 -2.546 -11.704 116 HG2 LYS 19 1HG LYS 19 0.999 -0.379 -10.935 117 HG3 LYS 19 2HG LYS 19 2.137 -0.688 -9.621 118 HD2 LYS 19 1HD LYS 19 3.281 0.631 -11.238 119 HD3 LYS 19 2HD LYS 19 3.912 -1.012 -11.374 120 HE2 LYS 19 1HE LYS 19 1.620 -0.187 -13.094 121 HE3 LYS 19 2HE LYS 19 3.243 0.362 -13.511 122 HZ1 LYS 19 1HZ LYS 19 2.689 -2.489 -12.981 123 HZ2 LYS 19 2HZ LYS 19 3.972 -1.803 -13.843 124 HZ3 LYS 19 3HZ LYS 19 2.417 -1.821 -14.511 125 H GLU 20 H GLU 20 2.585 -5.011 -9.190 126 HA GLU 20 HA GLU 20 1.451 -6.955 -10.877 127 HB2 GLU 20 1HB GLU 20 3.787 -6.815 -9.639 128 HB3 GLU 20 2HB GLU 20 2.948 -7.776 -8.429 129 HG2 GLU 20 1HG GLU 20 2.673 -9.575 -9.857 130 HG3 GLU 20 2HG GLU 20 2.896 -8.591 -11.302 131 H VAL 21 H VAL 21 1.523 -7.084 -7.315 132 HA VAL 21 HA VAL 21 -0.382 -9.043 -6.969 133 HB VAL 21 HB VAL 21 -0.575 -8.383 -4.713 134 HG11 VAL 21 1HG1 VAL 21 1.966 -8.382 -6.003 135 HG12 VAL 21 2HG1 VAL 21 2.013 -7.247 -4.652 136 HG13 VAL 21 3HG1 VAL 21 1.550 -8.927 -4.379 137 HG21 VAL 21 1HG2 VAL 21 -1.239 -6.218 -4.541 138 HG22 VAL 21 2HG2 VAL 21 0.471 -5.988 -4.174 139 HG23 VAL 21 3HG2 VAL 21 -0.134 -5.662 -5.799 140 H THR 22 H THR 22 -0.827 -5.741 -7.874 141 HA THR 22 HA THR 22 -3.728 -5.950 -7.447 142 HB THR 22 HB THR 22 -3.816 -3.524 -7.755 143 HG1 THR 22 1HG THR 22 -1.017 -3.815 -8.184 144 HG21 THR 22 1HG2 THR 22 -1.736 -4.445 -5.769 145 HG22 THR 22 2HG2 THR 22 -3.473 -4.305 -5.499 146 HG23 THR 22 3HG2 THR 22 -2.500 -2.856 -5.751 147 H LYS 23 H LYS 23 -2.257 -7.262 -9.629 148 HA LYS 23 HA LYS 23 -2.721 -5.813 -12.042 149 HB2 LYS 23 1HB LYS 23 -1.878 -8.574 -11.323 150 HB3 LYS 23 2HB LYS 23 -2.538 -8.326 -12.934 151 HG2 LYS 23 1HG LYS 23 -0.427 -6.465 -11.990 152 HG3 LYS 23 2HG LYS 23 0.041 -8.107 -12.435 153 HD2 LYS 23 1HD LYS 23 -1.615 -6.345 -14.227 154 HD3 LYS 23 2HD LYS 23 0.149 -6.363 -14.274 155 HE2 LYS 23 1HE LYS 23 -1.323 -8.948 -14.443 156 HE3 LYS 23 2HE LYS 23 -1.275 -7.904 -15.863 157 HZ1 LYS 23 1HZ LYS 23 1.238 -7.862 -15.420 158 HZ2 LYS 23 2HZ LYS 23 0.570 -9.247 -16.123 159 HZ3 LYS 23 3HZ LYS 23 0.958 -9.238 -14.477 160 H ASN 24 H ASN 24 -4.571 -5.526 -13.089 161 HA ASN 24 HA ASN 24 -6.692 -5.819 -13.863 162 HB2 ASN 24 1HB ASN 24 -6.543 -8.623 -12.744 163 HB3 ASN 24 2HB ASN 24 -7.629 -8.033 -13.998 164 HD21 ASN 24 1HD2 ASN 24 -4.357 -8.934 -13.229 165 HD22 ASN 24 2HD2 ASN 24 -3.805 -9.090 -14.859 166 H TYR 25 H TYR 25 -6.374 -4.568 -11.443 167 HA TYR 25 HA TYR 25 -8.484 -5.654 -9.716 168 HB2 TYR 25 1HB TYR 25 -6.135 -3.885 -9.269 169 HB3 TYR 25 2HB TYR 25 -7.557 -3.604 -8.272 170 HD1 TYR 25 2HD TYR 25 -5.515 -6.507 -9.459 171 HD2 TYR 25 1HD TYR 25 -7.611 -4.680 -6.239 172 HE1 TYR 25 2HE TYR 25 -4.833 -8.349 -7.978 173 HE2 TYR 25 1HE TYR 25 -6.934 -6.516 -4.748 174 HH TYR 25 HH TYR 25 -5.380 -8.244 -4.544 175 H ARG 26 H ARG 26 -9.742 -3.791 -8.558 176 HA ARG 26 HA ARG 26 -11.199 -2.422 -10.609 177 HB2 ARG 26 1HB ARG 26 -12.055 -3.427 -8.362 178 HB3 ARG 26 2HB ARG 26 -11.547 -1.888 -7.678 179 HG2 ARG 26 1HG ARG 26 -13.727 -1.423 -8.141 180 HG3 ARG 26 2HG ARG 26 -12.979 -0.913 -9.656 181 HD2 ARG 26 1HD ARG 26 -13.884 -3.737 -9.373 182 HD3 ARG 26 2HD ARG 26 -15.092 -2.481 -9.638 183 HE ARG 26 HE ARG 26 -13.172 -2.051 -11.550 184 HH11 ARG 26 1HH1 ARG 26 -15.252 -4.691 -10.639 185 HH12 ARG 26 2HH1 ARG 26 -15.360 -5.331 -12.245 186 HH21 ARG 26 1HH2 ARG 26 -13.306 -2.885 -13.668 187 HH22 ARG 26 2HH2 ARG 26 -14.252 -4.304 -13.967 188 H GLY 27 H GLY 27 -9.787 -0.935 -11.543 189 HA2 GLY 27 1HA GLY 27 -8.748 1.095 -11.799 190 HA3 GLY 27 2HA GLY 27 -9.770 1.646 -10.480 191 H VAL 28 H VAL 28 -6.844 -0.318 -11.013 192 HA VAL 28 HA VAL 28 -5.654 1.021 -8.673 193 HB VAL 28 HB VAL 28 -5.301 -1.871 -9.473 194 HG11 VAL 28 1HG1 VAL 28 -3.714 -0.078 -7.787 195 HG12 VAL 28 2HG1 VAL 28 -4.154 -1.603 -7.017 196 HG13 VAL 28 3HG1 VAL 28 -3.275 -1.607 -8.547 197 HG21 VAL 28 1HG2 VAL 28 -6.287 -2.297 -7.223 198 HG22 VAL 28 2HG2 VAL 28 -6.651 -0.576 -7.109 199 HG23 VAL 28 3HG2 VAL 28 -7.404 -1.555 -8.367 200 H LYS 29 H LYS 29 -4.702 2.522 -10.148 201 HA LYS 29 HA LYS 29 -2.506 1.390 -11.755 202 HB2 LYS 29 1HB LYS 29 -4.260 2.633 -13.027 203 HB3 LYS 29 2HB LYS 29 -3.849 4.075 -12.108 204 HG2 LYS 29 1HG LYS 29 -1.486 3.779 -12.988 205 HG3 LYS 29 2HG LYS 29 -2.169 2.603 -14.112 206 HD2 LYS 29 1HD LYS 29 -3.475 5.266 -13.910 207 HD3 LYS 29 2HD LYS 29 -1.924 5.165 -14.745 208 HE2 LYS 29 1HE LYS 29 -3.350 4.779 -16.492 209 HE3 LYS 29 2HE LYS 29 -3.079 3.126 -15.943 210 HZ1 LYS 29 1HZ LYS 29 -5.144 3.529 -14.511 211 HZ2 LYS 29 2HZ LYS 29 -5.366 3.267 -16.168 212 HZ3 LYS 29 3HZ LYS 29 -5.450 4.836 -15.541 213 H ILE 30 H ILE 30 -1.027 1.337 -10.037 214 HA ILE 30 HA ILE 30 -0.474 3.585 -8.391 215 HB ILE 30 HB ILE 30 1.300 1.217 -8.995 216 HG12 ILE 30 1HG1 ILE 30 0.343 0.710 -6.545 217 HG13 ILE 30 2HG1 ILE 30 -1.021 1.624 -7.179 218 HG21 ILE 30 1HG2 ILE 30 1.483 2.579 -6.401 219 HG22 ILE 30 2HG2 ILE 30 2.754 1.950 -7.447 220 HG23 ILE 30 3HG2 ILE 30 2.036 3.525 -7.782 221 HD11 ILE 30 1HD1 ILE 30 -1.746 -0.241 -8.112 222 HD12 ILE 30 2HD1 ILE 30 -0.339 -0.208 -9.176 223 HD13 ILE 30 3HD1 ILE 30 -0.273 -1.097 -7.654 224 H THR 31 H THR 31 -0.301 5.252 -10.028 225 HA THR 31 HA THR 31 1.954 5.193 -11.832 226 HB THR 31 HB THR 31 1.238 7.596 -12.295 227 HG1 THR 31 1HG THR 31 -0.291 8.400 -11.081 228 HG21 THR 31 1HG2 THR 31 0.497 5.403 -13.492 229 HG22 THR 31 2HG2 THR 31 -0.365 6.906 -13.821 230 HG23 THR 31 3HG2 THR 31 -1.054 5.717 -12.716 231 H ASN 32 H ASN 32 1.139 6.627 -8.741 232 HA ASN 32 HA ASN 32 3.923 7.521 -8.488 233 HB2 ASN 32 1HB ASN 32 1.639 9.159 -7.402 234 HB3 ASN 32 2HB ASN 32 3.324 9.630 -7.599 235 HD21 ASN 32 1HD2 ASN 32 0.450 10.333 -8.711 236 HD22 ASN 32 2HD2 ASN 32 0.791 10.668 -10.372 237 H PHE 33 H PHE 33 4.061 8.396 -6.000 238 HA PHE 33 HA PHE 33 2.938 6.236 -4.340 239 HB2 PHE 33 1HB PHE 33 5.719 7.387 -4.384 240 HB3 PHE 33 2HB PHE 33 5.093 6.558 -2.962 241 HD1 PHE 33 2HD PHE 33 4.384 4.164 -3.164 242 HD2 PHE 33 1HD PHE 33 6.514 6.193 -6.241 243 HE1 PHE 33 2HE PHE 33 5.021 2.000 -4.145 244 HE2 PHE 33 1HE PHE 33 7.154 4.031 -7.227 245 HZ PHE 33 HZ PHE 33 6.408 1.931 -6.179 246 H THR 34 H THR 34 1.997 8.996 -4.848 247 HA THR 34 HA THR 34 2.046 9.947 -2.059 248 HB THR 34 HB THR 34 1.539 12.253 -3.306 249 HG1 THR 34 1HG THR 34 1.748 11.609 -5.407 250 HG21 THR 34 1HG2 THR 34 4.363 12.010 -3.434 251 HG22 THR 34 2HG2 THR 34 3.802 11.031 -2.078 252 HG23 THR 34 3HG2 THR 34 3.386 12.742 -2.162 253 H THR 35 H THR 35 0.262 10.331 -5.126 254 HA THR 35 HA THR 35 -2.211 10.753 -3.649 255 HB THR 35 HB THR 35 -3.221 11.147 -5.884 256 HG1 THR 35 1HG THR 35 -1.903 11.118 -7.697 257 HG21 THR 35 1HG2 THR 35 -0.690 12.751 -5.563 258 HG22 THR 35 2HG2 THR 35 -2.096 12.952 -4.517 259 HG23 THR 35 3HG2 THR 35 -2.228 13.276 -6.246 260 H SER 36 H SER 36 -1.038 8.572 -6.214 261 HA SER 36 HA SER 36 -3.102 6.913 -6.628 262 HB2 SER 36 1HB SER 36 -0.173 6.409 -6.407 263 HB3 SER 36 2HB SER 36 -1.239 5.008 -6.505 264 HG SER 36 HG SER 36 -1.715 5.494 -8.516 265 H TRP 37 H TRP 37 -1.220 7.091 -3.686 266 HA TRP 37 HA TRP 37 -2.785 4.897 -2.522 267 HB2 TRP 37 1HB TRP 37 -0.396 6.281 -1.297 268 HB3 TRP 37 2HB TRP 37 -1.113 4.746 -0.816 269 HD1 TRP 37 HD TRP 37 0.970 6.281 -3.676 270 HE1 TRP 37 1HE TRP 37 2.272 4.384 -4.830 271 HE3 TRP 37 3HE TRP 37 -1.036 2.290 -1.188 272 HZ2 TRP 37 2HZ TRP 37 2.427 1.568 -4.703 273 HZ3 TRP 37 3HZ TRP 37 -0.257 0.029 -1.765 274 HH2 TRP 37 HH TRP 37 1.438 -0.323 -3.487 275 H ARG 38 H ARG 38 -2.273 8.320 -2.385 276 HA ARG 38 HA ARG 38 -2.988 9.210 0.020 277 HB2 ARG 38 1HB ARG 38 -2.772 10.825 -1.680 278 HB3 ARG 38 2HB ARG 38 -4.022 10.079 -2.666 279 HG2 ARG 38 1HG ARG 38 -5.738 10.969 -1.400 280 HG3 ARG 38 2HG ARG 38 -4.704 11.219 0.008 281 HD2 ARG 38 1HD ARG 38 -4.842 13.369 -0.731 282 HD3 ARG 38 2HD ARG 38 -3.444 12.837 -1.664 283 HE ARG 38 HE ARG 38 -4.708 12.949 -3.588 284 HH11 ARG 38 1HH1 ARG 38 -6.751 13.319 -0.794 285 HH12 ARG 38 2HH1 ARG 38 -8.135 13.819 -1.709 286 HH21 ARG 38 1HH2 ARG 38 -6.522 13.605 -4.805 287 HH22 ARG 38 2HH2 ARG 38 -8.004 13.980 -3.991 288 H ASN 39 H ASN 39 -5.343 7.940 -2.326 289 HA ASN 39 HA ASN 39 -7.585 8.206 -0.618 290 HB2 ASN 39 1HB ASN 39 -8.624 6.531 -2.240 291 HB3 ASN 39 2HB ASN 39 -8.038 8.039 -2.936 292 HD21 ASN 39 1HD2 ASN 39 -8.440 5.930 -4.559 293 HD22 ASN 39 2HD2 ASN 39 -6.931 5.282 -5.097 294 H GLY 40 H GLY 40 -5.686 5.332 -1.555 295 HA2 GLY 40 1HA GLY 40 -4.976 3.827 0.254 296 HA3 GLY 40 2HA GLY 40 -6.555 4.087 0.980 297 H LEU 41 H LEU 41 -5.962 3.546 -2.446 298 HA LEU 41 HA LEU 41 -7.789 1.298 -2.395 299 HB2 LEU 41 1HB LEU 41 -6.412 2.834 -4.572 300 HB3 LEU 41 2HB LEU 41 -7.264 1.329 -4.910 301 HG LEU 41 HG LEU 41 -8.485 3.848 -3.781 302 HD11 LEU 41 1HD1 LEU 41 -7.870 4.006 -6.153 303 HD12 LEU 41 2HD1 LEU 41 -9.617 4.011 -5.917 304 HD13 LEU 41 3HD1 LEU 41 -8.809 2.549 -6.483 305 HD21 LEU 41 1HD2 LEU 41 -10.625 2.642 -4.151 306 HD22 LEU 41 2HD2 LEU 41 -9.622 1.933 -2.884 307 HD23 LEU 41 3HD2 LEU 41 -9.698 1.177 -4.476 308 H SER 42 H SER 42 -4.487 1.843 -3.638 309 HA SER 42 HA SER 42 -3.887 -0.817 -4.203 310 HB2 SER 42 1HB SER 42 -2.026 1.415 -3.356 311 HB3 SER 42 2HB SER 42 -1.506 -0.114 -4.064 312 HG SER 42 HG SER 42 -2.864 2.033 -5.248 313 H PHE 43 H PHE 43 -3.497 1.020 -1.210 314 HA PHE 43 HA PHE 43 -2.040 -0.815 0.277 315 HB2 PHE 43 1HB PHE 43 -3.979 1.350 0.959 316 HB3 PHE 43 2HB PHE 43 -3.487 0.238 2.233 317 HD1 PHE 43 2HD PHE 43 -0.756 -0.229 1.992 318 HD2 PHE 43 1HD PHE 43 -2.868 3.342 1.039 319 HE1 PHE 43 2HE PHE 43 1.302 1.076 2.334 320 HE2 PHE 43 1HE PHE 43 -0.813 4.652 1.379 321 HZ PHE 43 HZ PHE 43 1.275 3.519 2.029 322 H CYS 44 H CYS 44 -5.564 -0.535 -0.077 323 HA CYS 44 HA CYS 44 -6.104 -2.810 1.568 324 HB2 CYS 44 1HB CYS 44 -7.771 -1.112 -0.273 325 HB3 CYS 44 2HB CYS 44 -8.428 -2.569 0.461 326 HG CYS 44 HG CYS 44 -7.953 0.441 1.785 327 H ALA 45 H ALA 45 -5.857 -2.230 -1.902 328 HA ALA 45 HA ALA 45 -6.823 -4.676 -2.832 329 HB1 ALA 45 1HB ALA 45 -6.175 -2.555 -4.137 330 HB2 ALA 45 2HB ALA 45 -4.555 -3.252 -4.176 331 HB3 ALA 45 3HB ALA 45 -5.907 -4.123 -4.899 332 H ILE 46 H ILE 46 -3.448 -3.725 -2.180 333 HA ILE 46 HA ILE 46 -2.185 -6.093 -2.792 334 HB ILE 46 HB ILE 46 -1.512 -4.186 -0.549 335 HG12 ILE 46 1HG1 ILE 46 -0.209 -4.364 -3.259 336 HG13 ILE 46 2HG1 ILE 46 -1.629 -3.360 -2.984 337 HG21 ILE 46 1HG2 ILE 46 0.377 -5.326 -0.115 338 HG22 ILE 46 2HG2 ILE 46 -0.498 -6.683 -0.821 339 HG23 ILE 46 3HG2 ILE 46 0.629 -5.753 -1.808 340 HD11 ILE 46 1HD1 ILE 46 -0.475 -1.957 -1.501 341 HD12 ILE 46 2HD1 ILE 46 0.865 -3.093 -1.342 342 HD13 ILE 46 3HD1 ILE 46 0.622 -2.222 -2.856 343 H LEU 47 H LEU 47 -3.165 -5.126 0.504 344 HA LEU 47 HA LEU 47 -2.655 -7.524 1.775 345 HB2 LEU 47 1HB LEU 47 -3.258 -5.384 2.875 346 HB3 LEU 47 2HB LEU 47 -4.930 -5.641 2.382 347 HG LEU 47 HG LEU 47 -4.898 -7.753 3.753 348 HD11 LEU 47 1HD1 LEU 47 -2.180 -6.699 4.355 349 HD12 LEU 47 2HD1 LEU 47 -2.722 -8.360 4.121 350 HD13 LEU 47 3HD1 LEU 47 -3.080 -7.520 5.630 351 HD21 LEU 47 1HD2 LEU 47 -4.300 -5.376 5.472 352 HD22 LEU 47 2HD2 LEU 47 -5.511 -6.639 5.695 353 HD23 LEU 47 3HD2 LEU 47 -5.736 -5.410 4.449 354 H HIS 48 H HIS 48 -5.411 -6.590 -0.174 355 HA HIS 48 HA HIS 48 -7.034 -8.833 0.536 356 HB2 HIS 48 1HB HIS 48 -7.741 -6.547 -0.489 357 HB3 HIS 48 2HB HIS 48 -7.343 -7.303 -2.029 358 HD1 HIS 48 1HD HIS 48 -8.917 -9.146 -2.887 359 HD2 HIS 48 2HD HIS 48 -10.037 -7.553 0.783 360 HE1 HIS 48 1HE HIS 48 -11.254 -9.979 -2.477 361 HE2 HIS 48 2HE HIS 48 -11.942 -8.933 -0.292 362 H HIS 49 H HIS 49 -4.715 -8.129 -2.008 363 HA HIS 49 HA HIS 49 -5.219 -10.170 -3.793 364 HB2 HIS 49 1HB HIS 49 -3.475 -8.305 -3.945 365 HB3 HIS 49 2HB HIS 49 -2.424 -9.359 -3.004 366 HD1 HIS 49 1HD HIS 49 -4.661 -10.155 -5.981 367 HD2 HIS 49 2HD HIS 49 -0.683 -10.379 -4.802 368 HE1 HIS 49 1HE HIS 49 -3.465 -11.308 -7.869 369 HE2 HIS 49 2HE HIS 49 -1.076 -11.508 -7.096 370 H PHE 50 H PHE 50 -2.997 -10.291 -1.007 371 HA PHE 50 HA PHE 50 -2.404 -13.040 -1.281 372 HB2 PHE 50 1HB PHE 50 -2.221 -11.275 1.169 373 HB3 PHE 50 2HB PHE 50 -1.467 -12.856 0.992 374 HD1 PHE 50 2HD PHE 50 -1.476 -9.396 -0.304 375 HD2 PHE 50 1HD PHE 50 0.605 -13.103 -0.090 376 HE1 PHE 50 2HE PHE 50 0.514 -8.331 -1.282 377 HE2 PHE 50 1HE PHE 50 2.599 -12.043 -1.067 378 HZ PHE 50 HZ PHE 50 2.555 -9.655 -1.666 379 H ARG 51 H ARG 51 -4.710 -11.290 0.766 380 HA ARG 51 HA ARG 51 -6.265 -13.752 1.025 381 HB2 ARG 51 1HB ARG 51 -4.753 -13.469 3.038 382 HB3 ARG 51 2HB ARG 51 -5.665 -12.014 3.417 383 HG2 ARG 51 1HG ARG 51 -6.577 -13.727 4.746 384 HG3 ARG 51 2HG ARG 51 -7.731 -13.460 3.438 385 HD2 ARG 51 1HD ARG 51 -6.811 -15.383 2.237 386 HD3 ARG 51 2HD ARG 51 -5.655 -15.645 3.543 387 HE ARG 51 HE ARG 51 -8.174 -15.670 4.692 388 HH11 ARG 51 1HH1 ARG 51 -6.405 -17.512 2.326 389 HH12 ARG 51 2HH1 ARG 51 -7.240 -18.993 2.664 390 HH21 ARG 51 1HH2 ARG 51 -9.280 -17.612 5.145 391 HH22 ARG 51 2HH2 ARG 51 -8.876 -19.048 4.267 392 HA PRO 52 HA PRO 52 -9.171 -10.492 -0.106 393 HB2 PRO 52 1HB PRO 52 -11.124 -12.206 -0.891 394 HB3 PRO 52 2HB PRO 52 -9.747 -11.785 -1.916 395 HG2 PRO 52 1HG PRO 52 -10.170 -14.211 -0.213 396 HG3 PRO 52 2HG PRO 52 -9.517 -14.099 -1.858 397 HD2 PRO 52 1HD PRO 52 -7.934 -14.376 0.321 398 HD3 PRO 52 2HD PRO 52 -7.425 -13.474 -1.120 399 H ASP 53 H ASP 53 -9.185 -12.787 2.361 400 HA ASP 53 HA ASP 53 -11.796 -11.925 3.385 401 HB2 ASP 53 1HB ASP 53 -9.987 -14.208 4.195 402 HB3 ASP 53 2HB ASP 53 -11.477 -13.788 5.036 403 H LEU 54 H LEU 54 -9.518 -10.157 3.406 404 HA LEU 54 HA LEU 54 -9.124 -9.885 6.314 405 HB2 LEU 54 1HB LEU 54 -7.259 -9.505 4.027 406 HB3 LEU 54 2HB LEU 54 -7.077 -8.468 5.440 407 HG LEU 54 HG LEU 54 -6.948 -11.483 5.454 408 HD11 LEU 54 1HD1 LEU 54 -4.592 -11.252 5.745 409 HD12 LEU 54 2HD1 LEU 54 -4.717 -9.495 5.829 410 HD13 LEU 54 3HD1 LEU 54 -5.050 -10.330 4.312 411 HD21 LEU 54 1HD2 LEU 54 -7.103 -11.383 7.664 412 HD22 LEU 54 2HD2 LEU 54 -7.483 -9.665 7.531 413 HD23 LEU 54 3HD2 LEU 54 -5.809 -10.185 7.738 414 H ILE 55 H ILE 55 -9.684 -8.233 3.257 415 HA ILE 55 HA ILE 55 -10.615 -5.889 4.782 416 HB ILE 55 HB ILE 55 -9.663 -5.510 1.991 417 HG12 ILE 55 1HG1 ILE 55 -7.367 -4.962 3.178 418 HG13 ILE 55 2HG1 ILE 55 -7.923 -6.169 4.333 419 HG21 ILE 55 1HG2 ILE 55 -9.954 -3.386 2.561 420 HG22 ILE 55 2HG2 ILE 55 -10.482 -3.901 4.162 421 HG23 ILE 55 3HG2 ILE 55 -8.779 -3.554 3.865 422 HD11 ILE 55 1HD1 ILE 55 -6.617 -6.590 1.894 423 HD12 ILE 55 2HD1 ILE 55 -7.292 -7.800 2.985 424 HD13 ILE 55 3HD1 ILE 55 -8.273 -7.151 1.671 425 H ASP 56 H ASP 56 -12.116 -4.492 3.401 426 HA ASP 56 HA ASP 56 -14.069 -6.276 2.129 427 HB2 ASP 56 1HB ASP 56 -14.281 -3.653 3.565 428 HB3 ASP 56 2HB ASP 56 -15.536 -4.125 2.422 429 H TYR 57 H TYR 57 -11.654 -5.200 0.809 430 HA TYR 57 HA TYR 57 -12.111 -3.069 -0.880 431 HB2 TYR 57 1HB TYR 57 -9.975 -4.390 -0.637 432 HB3 TYR 57 2HB TYR 57 -10.683 -5.602 -1.700 433 HD1 TYR 57 2HD TYR 57 -11.515 -4.737 -4.016 434 HD2 TYR 57 1HD TYR 57 -8.749 -2.644 -1.552 435 HE1 TYR 57 2HE TYR 57 -10.724 -3.484 -5.978 436 HE2 TYR 57 1HE TYR 57 -7.951 -1.384 -3.507 437 HH TYR 57 HH TYR 57 -7.942 -1.368 -5.809 438 H LYS 58 H LYS 58 -13.449 -6.269 -0.990 439 HA LYS 58 HA LYS 58 -14.248 -6.440 -3.650 440 HB2 LYS 58 1HB LYS 58 -15.921 -8.037 -2.894 441 HB3 LYS 58 2HB LYS 58 -14.404 -8.301 -2.044 442 HG2 LYS 58 1HG LYS 58 -15.257 -7.230 -0.073 443 HG3 LYS 58 2HG LYS 58 -16.735 -6.763 -0.919 444 HD2 LYS 58 1HD LYS 58 -15.931 -9.643 -0.693 445 HD3 LYS 58 2HD LYS 58 -16.788 -8.834 0.622 446 HE2 LYS 58 1HE LYS 58 -17.785 -8.820 -2.216 447 HE3 LYS 58 2HE LYS 58 -18.206 -10.093 -1.071 448 HZ1 LYS 58 1HZ LYS 58 -19.777 -8.794 -0.246 449 HZ2 LYS 58 2HZ LYS 58 -19.394 -7.587 -1.367 450 HZ3 LYS 58 3HZ LYS 58 -18.641 -7.604 0.148 451 H SER 59 H SER 59 -15.468 -4.487 -1.071 452 HA SER 59 HA SER 59 -17.508 -3.414 -2.896 453 HB2 SER 59 1HB SER 59 -17.853 -4.334 -0.064 454 HB3 SER 59 2HB SER 59 -18.842 -3.007 -0.672 455 HG SER 59 HG SER 59 -18.747 -5.689 -1.528 456 H LEU 60 H LEU 60 -14.850 -2.467 -2.348 457 HA LEU 60 HA LEU 60 -15.290 -0.085 -0.705 458 HB2 LEU 60 1HB LEU 60 -12.867 -1.467 -1.782 459 HB3 LEU 60 2HB LEU 60 -12.773 0.222 -1.287 460 HG LEU 60 HG LEU 60 -13.322 -2.194 0.417 461 HD11 LEU 60 1HD1 LEU 60 -10.972 -1.233 -0.202 462 HD12 LEU 60 2HD1 LEU 60 -11.329 -1.722 1.454 463 HD13 LEU 60 3HD1 LEU 60 -11.375 -0.016 1.009 464 HD21 LEU 60 1HD2 LEU 60 -13.566 -0.502 2.281 465 HD22 LEU 60 2HD2 LEU 60 -14.935 -0.648 1.179 466 HD23 LEU 60 3HD2 LEU 60 -13.818 0.709 1.024 467 H ASN 61 H ASN 61 -13.907 1.869 -1.681 468 HA ASN 61 HA ASN 61 -14.017 2.172 -4.519 469 HB2 ASN 61 1HB ASN 61 -16.242 3.229 -2.829 470 HB3 ASN 61 2HB ASN 61 -15.682 4.207 -4.183 471 HD21 ASN 61 1HD2 ASN 61 -15.095 2.360 -6.067 472 HD22 ASN 61 2HD2 ASN 61 -16.520 1.499 -6.527 473 HA PRO 62 HA PRO 62 -11.144 5.383 -3.691 474 HB2 PRO 62 1HB PRO 62 -11.635 7.142 -5.700 475 HB3 PRO 62 2HB PRO 62 -10.852 5.579 -5.962 476 HG2 PRO 62 1HG PRO 62 -13.708 6.362 -6.394 477 HG3 PRO 62 2HG PRO 62 -12.649 5.381 -7.424 478 HD2 PRO 62 1HD PRO 62 -14.498 4.287 -5.776 479 HD3 PRO 62 2HD PRO 62 -12.961 3.484 -6.154 480 H GLN 63 H GLN 63 -14.340 5.779 -3.090 481 HA GLN 63 HA GLN 63 -14.410 8.631 -2.694 482 HB2 GLN 63 1HB GLN 63 -16.609 8.112 -1.570 483 HB3 GLN 63 2HB GLN 63 -16.484 7.611 -3.251 484 HG2 GLN 63 1HG GLN 63 -17.584 5.933 -1.848 485 HG3 GLN 63 2HG GLN 63 -16.104 5.327 -2.589 486 HE21 GLN 63 1HE2 GLN 63 -15.615 3.775 -1.128 487 HE22 GLN 63 2HE2 GLN 63 -15.220 4.091 0.524 488 H ASP 64 H ASP 64 -13.463 5.875 -0.871 489 HA ASP 64 HA ASP 64 -13.516 7.390 1.639 490 HB2 ASP 64 1HB ASP 64 -13.416 4.489 0.952 491 HB3 ASP 64 2HB ASP 64 -12.675 5.008 2.463 492 H ILE 65 H ILE 65 -11.752 8.502 2.123 493 HA ILE 65 HA ILE 65 -9.164 7.629 1.059 494 HB ILE 65 HB ILE 65 -9.894 10.251 2.369 495 HG12 ILE 65 1HG1 ILE 65 -9.514 9.547 -0.550 496 HG13 ILE 65 2HG1 ILE 65 -11.043 9.947 0.225 497 HG21 ILE 65 1HG2 ILE 65 -7.392 9.080 1.951 498 HG22 ILE 65 2HG2 ILE 65 -7.565 10.292 0.683 499 HG23 ILE 65 3HG2 ILE 65 -7.731 10.757 2.376 500 HD11 ILE 65 1HD1 ILE 65 -10.372 12.195 0.569 501 HD12 ILE 65 2HD1 ILE 65 -8.712 11.836 0.090 502 HD13 ILE 65 3HD1 ILE 65 -10.006 11.784 -1.107 503 H LYS 66 H LYS 66 -10.673 8.674 4.101 504 HA LYS 66 HA LYS 66 -8.364 8.038 5.675 505 HB2 LYS 66 1HB LYS 66 -10.165 9.763 6.223 506 HB3 LYS 66 2HB LYS 66 -11.175 8.405 6.703 507 HG2 LYS 66 1HG LYS 66 -9.856 7.900 8.533 508 HG3 LYS 66 2HG LYS 66 -8.446 8.733 7.875 509 HD2 LYS 66 1HD LYS 66 -9.243 10.116 9.610 510 HD3 LYS 66 2HD LYS 66 -9.788 10.878 8.114 511 HE2 LYS 66 1HE LYS 66 -11.622 10.927 9.621 512 HE3 LYS 66 2HE LYS 66 -11.976 9.681 8.425 513 HZ1 LYS 66 1HZ LYS 66 -10.856 9.168 11.127 514 HZ2 LYS 66 2HZ LYS 66 -11.297 7.998 9.987 515 HZ3 LYS 66 3HZ LYS 66 -12.481 8.974 10.700 516 H GLU 67 H GLU 67 -11.542 6.529 5.170 517 HA GLU 67 HA GLU 67 -11.162 4.356 6.908 518 HB2 GLU 67 1HB GLU 67 -13.359 5.009 6.010 519 HB3 GLU 67 2HB GLU 67 -12.854 4.500 4.406 520 HG2 GLU 67 1HG GLU 67 -12.650 2.206 5.175 521 HG3 GLU 67 2HG GLU 67 -13.100 2.701 6.806 522 H ASN 68 H ASN 68 -11.117 4.236 3.341 523 HA ASN 68 HA ASN 68 -10.197 1.795 2.820 524 HB2 ASN 68 1HB ASN 68 -9.492 4.428 1.596 525 HB3 ASN 68 2HB ASN 68 -8.626 2.993 1.057 526 HD21 ASN 68 1HD2 ASN 68 -9.800 3.891 -0.935 527 HD22 ASN 68 2HD2 ASN 68 -11.337 3.180 -1.276 528 H ASN 69 H ASN 69 -7.916 4.463 3.474 529 HA ASN 69 HA ASN 69 -5.620 2.882 3.637 530 HB2 ASN 69 1HB ASN 69 -6.375 5.615 4.543 531 HB3 ASN 69 2HB ASN 69 -4.921 4.905 5.241 532 HD21 ASN 69 1HD2 ASN 69 -6.363 6.299 2.465 533 HD22 ASN 69 2HD2 ASN 69 -4.962 6.281 1.454 534 H LYS 70 H LYS 70 -7.563 4.219 6.315 535 HA LYS 70 HA LYS 70 -6.300 3.153 8.470 536 HB2 LYS 70 1HB LYS 70 -8.211 4.567 8.776 537 HB3 LYS 70 2HB LYS 70 -9.266 3.413 7.972 538 HG2 LYS 70 1HG LYS 70 -9.336 2.001 9.789 539 HG3 LYS 70 2HG LYS 70 -7.812 2.601 10.447 540 HD2 LYS 70 1HD LYS 70 -9.355 3.546 11.883 541 HD3 LYS 70 2HD LYS 70 -9.119 4.840 10.706 542 HE2 LYS 70 1HE LYS 70 -11.413 4.772 10.836 543 HE3 LYS 70 2HE LYS 70 -11.119 3.685 9.480 544 HZ1 LYS 70 1HZ LYS 70 -12.622 2.556 10.828 545 HZ2 LYS 70 2HZ LYS 70 -11.839 2.996 12.261 546 HZ3 LYS 70 3HZ LYS 70 -11.135 1.856 11.228 547 H LYS 71 H LYS 71 -8.723 1.486 6.474 548 HA LYS 71 HA LYS 71 -8.927 -0.897 7.828 549 HB2 LYS 71 1HB LYS 71 -8.840 -0.547 4.825 550 HB3 LYS 71 2HB LYS 71 -9.520 -1.925 5.682 551 HG2 LYS 71 1HG LYS 71 -10.952 0.001 6.828 552 HG3 LYS 71 2HG LYS 71 -10.610 0.796 5.290 553 HD2 LYS 71 1HD LYS 71 -12.494 -0.310 4.671 554 HD3 LYS 71 2HD LYS 71 -11.334 -1.605 4.367 555 HE2 LYS 71 1HE LYS 71 -12.479 -1.379 7.098 556 HE3 LYS 71 2HE LYS 71 -13.530 -1.976 5.815 557 HZ1 LYS 71 1HZ LYS 71 -12.436 -3.906 5.717 558 HZ2 LYS 71 2HZ LYS 71 -11.829 -3.497 7.241 559 HZ3 LYS 71 3HZ LYS 71 -10.912 -3.184 5.855 560 H ALA 72 H ALA 72 -6.588 -0.134 5.249 561 HA ALA 72 HA ALA 72 -5.194 -2.534 5.253 562 HB1 ALA 72 1HB ALA 72 -4.295 -1.413 3.555 563 HB2 ALA 72 2HB ALA 72 -4.776 0.142 4.235 564 HB3 ALA 72 3HB ALA 72 -3.263 -0.611 4.739 565 H TYR 73 H TYR 73 -3.936 0.455 6.735 566 HA TYR 73 HA TYR 73 -1.860 -0.428 8.155 567 HB2 TYR 73 1HB TYR 73 -3.968 1.354 9.389 568 HB3 TYR 73 2HB TYR 73 -2.259 1.296 9.807 569 HD1 TYR 73 1HD TYR 73 -0.980 1.284 7.164 570 HD2 TYR 73 2HD TYR 73 -4.329 3.501 8.567 571 HE1 TYR 73 1HE TYR 73 -0.510 3.034 5.501 572 HE2 TYR 73 2HE TYR 73 -3.869 5.257 6.907 573 HH TYR 73 HH TYR 73 -2.426 6.011 5.377 574 H ASP 74 H ASP 74 -5.231 -0.941 9.057 575 HA ASP 74 HA ASP 74 -4.715 -2.142 11.569 576 HB2 ASP 74 1HB ASP 74 -6.937 -1.201 10.570 577 HB3 ASP 74 2HB ASP 74 -7.125 -2.828 9.919 578 H GLY 75 H GLY 75 -5.334 -3.507 8.344 579 HA2 GLY 75 1HA GLY 75 -5.121 -6.218 9.182 580 HA3 GLY 75 2HA GLY 75 -5.051 -5.638 7.525 581 H PHE 76 H PHE 76 -2.887 -4.267 7.197 582 HA PHE 76 HA PHE 76 -0.800 -6.050 7.067 583 HB2 PHE 76 1HB PHE 76 -0.796 -3.036 7.165 584 HB3 PHE 76 2HB PHE 76 0.674 -3.969 6.905 585 HD1 PHE 76 1HD PHE 76 0.096 -5.999 5.075 586 HD2 PHE 76 2HD PHE 76 -1.572 -2.086 5.238 587 HE1 PHE 76 1HE PHE 76 -0.402 -6.115 2.668 588 HE2 PHE 76 2HE PHE 76 -2.074 -2.197 2.832 589 HZ PHE 76 HZ PHE 76 -1.490 -4.213 1.544 590 H ALA 77 H ALA 77 -1.409 -3.622 9.584 591 HA ALA 77 HA ALA 77 0.890 -4.260 11.125 592 HB1 ALA 77 1HB ALA 77 -0.198 -2.103 11.328 593 HB2 ALA 77 2HB ALA 77 -1.664 -2.875 11.935 594 HB3 ALA 77 3HB ALA 77 -0.181 -2.925 12.888 595 H SER 78 H SER 78 -2.274 -5.635 10.866 596 HA SER 78 HA SER 78 -2.591 -6.845 13.343 597 HB2 SER 78 1HB SER 78 -4.173 -6.786 11.277 598 HB3 SER 78 2HB SER 78 -3.355 -8.278 10.813 599 HG SER 78 HG SER 78 -5.093 -7.777 12.928 600 H ILE 79 H ILE 79 -0.937 -8.094 10.456 601 HA ILE 79 HA ILE 79 -0.140 -10.537 11.672 602 HB ILE 79 HB ILE 79 1.488 -10.658 9.744 603 HG12 ILE 79 1HG1 ILE 79 0.043 -8.165 8.827 604 HG13 ILE 79 2HG1 ILE 79 1.673 -8.165 9.493 605 HG21 ILE 79 1HG2 ILE 79 -0.627 -10.465 8.062 606 HG22 ILE 79 2HG2 ILE 79 -0.328 -11.832 9.134 607 HG23 ILE 79 3HG2 ILE 79 -1.444 -10.557 9.622 608 HD11 ILE 79 1HD1 ILE 79 2.524 -8.669 7.518 609 HD12 ILE 79 2HD1 ILE 79 1.479 -10.082 7.374 610 HD13 ILE 79 3HD1 ILE 79 0.910 -8.505 6.829 611 H GLY 80 H GLY 80 1.367 -7.373 11.308 612 HA2 GLY 80 1HA GLY 80 2.845 -7.075 13.441 613 HA3 GLY 80 2HA GLY 80 3.781 -8.345 12.665 614 H ILE 81 H ILE 81 2.127 -5.788 10.923 615 HA ILE 81 HA ILE 81 4.735 -4.863 9.948 616 HB ILE 81 HB ILE 81 1.961 -4.455 8.829 617 HG12 ILE 81 1HG1 ILE 81 4.336 -6.040 7.826 618 HG13 ILE 81 2HG1 ILE 81 2.858 -6.712 8.505 619 HG21 ILE 81 1HG2 ILE 81 2.759 -2.669 7.777 620 HG22 ILE 81 2HG2 ILE 81 4.376 -2.951 8.420 621 HG23 ILE 81 3HG2 ILE 81 3.874 -3.735 6.922 622 HD11 ILE 81 1HD1 ILE 81 1.810 -6.596 6.555 623 HD12 ILE 81 2HD1 ILE 81 2.324 -4.930 6.288 624 HD13 ILE 81 3HD1 ILE 81 3.387 -6.264 5.841 625 H SER 82 H SER 82 5.411 -3.421 11.484 626 HA SER 82 HA SER 82 4.012 -1.641 12.990 627 HB2 SER 82 1HB SER 82 6.716 -1.306 11.684 628 HB3 SER 82 2HB SER 82 6.072 -0.157 12.857 629 HG SER 82 HG SER 82 6.813 -2.849 13.228 630 H ARG 83 H ARG 83 2.423 -0.337 12.361 631 HA ARG 83 HA ARG 83 2.231 0.771 9.748 632 HB2 ARG 83 1HB ARG 83 0.302 2.035 10.697 633 HB3 ARG 83 2HB ARG 83 0.214 0.300 10.968 634 HG2 ARG 83 1HG ARG 83 -0.329 0.962 13.051 635 HG3 ARG 83 2HG ARG 83 1.425 1.025 13.238 636 HD2 ARG 83 1HD ARG 83 1.459 3.376 12.880 637 HD3 ARG 83 2HD ARG 83 -0.227 3.385 12.366 638 HE ARG 83 HE ARG 83 0.772 3.328 15.079 639 HH11 ARG 83 1HH1 ARG 83 -1.945 2.806 12.966 640 HH12 ARG 83 2HH1 ARG 83 -3.124 2.990 14.222 641 HH21 ARG 83 1HH2 ARG 83 -0.771 3.571 16.742 642 HH22 ARG 83 2HH2 ARG 83 -2.455 3.426 16.370 643 H LEU 84 H LEU 84 2.658 2.806 9.008 644 HA LEU 84 HA LEU 84 3.993 4.645 10.884 645 HB2 LEU 84 1HB LEU 84 4.641 4.340 7.960 646 HB3 LEU 84 2HB LEU 84 5.501 5.314 9.149 647 HG LEU 84 HG LEU 84 5.346 2.326 9.395 648 HD11 LEU 84 1HD1 LEU 84 6.959 1.959 7.877 649 HD12 LEU 84 2HD1 LEU 84 7.789 3.473 8.236 650 HD13 LEU 84 3HD1 LEU 84 6.383 3.469 7.171 651 HD21 LEU 84 1HD2 LEU 84 6.633 2.647 11.175 652 HD22 LEU 84 2HD2 LEU 84 6.387 4.383 10.986 653 HD23 LEU 84 3HD2 LEU 84 7.779 3.602 10.234 654 H LEU 85 H LEU 85 2.352 4.497 7.724 655 HA LEU 85 HA LEU 85 1.652 7.286 7.822 656 HB2 LEU 85 1HB LEU 85 2.062 5.694 5.772 657 HB3 LEU 85 2HB LEU 85 0.343 5.356 5.965 658 HG LEU 85 HG LEU 85 -0.092 7.801 5.714 659 HD11 LEU 85 1HD1 LEU 85 2.514 8.161 6.247 660 HD12 LEU 85 2HD1 LEU 85 1.528 9.332 5.374 661 HD13 LEU 85 3HD1 LEU 85 2.556 8.209 4.485 662 HD21 LEU 85 1HD2 LEU 85 -0.526 6.561 3.797 663 HD22 LEU 85 2HD2 LEU 85 1.176 6.176 3.540 664 HD23 LEU 85 3HD2 LEU 85 0.584 7.808 3.227 665 H GLU 86 H GLU 86 -0.375 8.181 8.139 666 HA GLU 86 HA GLU 86 -2.311 6.415 9.478 667 HB2 GLU 86 1HB GLU 86 -1.941 9.403 9.752 668 HB3 GLU 86 2HB GLU 86 -3.135 8.439 10.610 669 HG2 GLU 86 1HG GLU 86 -0.251 7.738 10.851 670 HG3 GLU 86 2HG GLU 86 -0.890 9.110 11.754 671 HA PRO 87 HA PRO 87 -5.291 7.129 6.332 672 HB2 PRO 87 1HB PRO 87 -7.584 6.935 7.772 673 HB3 PRO 87 2HB PRO 87 -6.578 5.537 7.375 674 HG2 PRO 87 1HG PRO 87 -6.708 7.117 9.914 675 HG3 PRO 87 2HG PRO 87 -6.622 5.359 9.693 676 HD2 PRO 87 1HD PRO 87 -4.457 6.855 10.335 677 HD3 PRO 87 2HD PRO 87 -4.344 5.389 9.340 678 H SER 88 H SER 88 -6.136 8.831 9.356 679 HA SER 88 HA SER 88 -7.713 10.823 8.231 680 HB2 SER 88 1HB SER 88 -7.275 12.108 10.284 681 HB3 SER 88 2HB SER 88 -7.589 10.412 10.651 682 HG SER 88 HG SER 88 -5.205 10.206 10.609 683 H ASP 89 H ASP 89 -4.305 11.157 9.241 684 HA ASP 89 HA ASP 89 -3.675 13.623 8.396 685 HB2 ASP 89 1HB ASP 89 -1.471 12.984 8.398 686 HB3 ASP 89 2HB ASP 89 -2.174 11.592 9.217 687 H MET 90 H MET 90 -3.866 10.792 6.257 688 HA MET 90 HA MET 90 -3.080 11.926 3.876 689 HB2 MET 90 1HB MET 90 -5.249 9.877 4.355 690 HB3 MET 90 2HB MET 90 -4.569 10.248 2.777 691 HG2 MET 90 1HG MET 90 -2.844 9.365 5.060 692 HG3 MET 90 2HG MET 90 -3.678 8.209 4.025 693 HE1 MET 90 1HE MET 90 -1.677 7.938 0.950 694 HE2 MET 90 2HE MET 90 -1.906 6.991 2.420 695 HE3 MET 90 3HE MET 90 -3.284 7.790 1.661 696 H VAL 91 H VAL 91 -6.287 12.009 5.379 697 HA VAL 91 HA VAL 91 -7.523 13.434 3.241 698 HB VAL 91 HB VAL 91 -8.396 13.130 6.118 699 HG11 VAL 91 1HG1 VAL 91 -10.496 13.562 4.181 700 HG12 VAL 91 2HG1 VAL 91 -10.162 14.415 5.690 701 HG13 VAL 91 3HG1 VAL 91 -9.352 14.904 4.201 702 HG21 VAL 91 1HG2 VAL 91 -8.259 10.983 5.080 703 HG22 VAL 91 2HG2 VAL 91 -9.961 11.442 5.138 704 HG23 VAL 91 3HG2 VAL 91 -9.064 11.574 3.626 705 H LEU 92 H LEU 92 -6.346 14.398 6.458 706 HA LEU 92 HA LEU 92 -7.019 17.030 6.539 707 HB2 LEU 92 1HB LEU 92 -4.346 15.876 7.321 708 HB3 LEU 92 2HB LEU 92 -5.002 17.416 7.873 709 HG LEU 92 HG LEU 92 -6.291 14.754 8.450 710 HD11 LEU 92 1HD1 LEU 92 -5.095 16.000 10.734 711 HD12 LEU 92 2HD1 LEU 92 -3.875 15.733 9.490 712 HD13 LEU 92 3HD1 LEU 92 -4.840 14.381 10.082 713 HD21 LEU 92 1HD2 LEU 92 -7.895 15.905 9.487 714 HD22 LEU 92 2HD2 LEU 92 -7.286 17.320 8.627 715 HD23 LEU 92 3HD2 LEU 92 -6.735 16.979 10.268 716 H LEU 93 H LEU 93 -3.897 15.886 5.238 717 HA LEU 93 HA LEU 93 -3.527 18.411 3.856 718 HB2 LEU 93 1HB LEU 93 -1.352 17.445 3.193 719 HB3 LEU 93 2HB LEU 93 -1.606 17.480 4.936 720 HG LEU 93 HG LEU 93 -2.402 14.986 4.489 721 HD11 LEU 93 1HD1 LEU 93 -0.196 15.045 2.514 722 HD12 LEU 93 2HD1 LEU 93 -1.793 15.551 1.964 723 HD13 LEU 93 3HD1 LEU 93 -1.567 13.945 2.655 724 HD21 LEU 93 1HD2 LEU 93 0.220 14.487 4.662 725 HD22 LEU 93 2HD2 LEU 93 -0.734 15.093 6.016 726 HD23 LEU 93 3HD2 LEU 93 0.232 16.208 5.048 727 H ALA 94 H ALA 94 -2.835 18.395 1.552 728 HA ALA 94 HA ALA 94 -4.757 16.924 -0.014 729 HB1 ALA 94 1HB ALA 94 -3.407 19.366 -0.277 730 HB2 ALA 94 2HB ALA 94 -2.859 18.360 -1.619 731 HB3 ALA 94 3HB ALA 94 -4.581 18.659 -1.387 732 H ILE 95 H ILE 95 -1.204 17.253 -0.125 733 HA ILE 95 HA ILE 95 -1.098 14.563 -1.326 734 HB ILE 95 HB ILE 95 0.883 16.803 -1.744 735 HG12 ILE 95 1HG1 ILE 95 -1.270 17.266 -2.842 736 HG13 ILE 95 2HG1 ILE 95 -0.009 16.929 -4.023 737 HG21 ILE 95 1HG2 ILE 95 2.020 14.742 -1.933 738 HG22 ILE 95 2HG2 ILE 95 0.690 14.005 -2.825 739 HG23 ILE 95 3HG2 ILE 95 1.674 15.257 -3.584 740 HD11 ILE 95 1HD1 ILE 95 -2.396 15.326 -3.285 741 HD12 ILE 95 2HD1 ILE 95 -1.730 15.703 -4.874 742 HD13 ILE 95 3HD1 ILE 95 -0.953 14.490 -3.857 743 HA PRO 96 HA PRO 96 1.122 13.500 2.369 744 HB2 PRO 96 1HB PRO 96 1.809 10.989 1.601 745 HB3 PRO 96 2HB PRO 96 0.181 11.417 2.141 746 HG2 PRO 96 1HG PRO 96 1.232 11.104 -0.645 747 HG3 PRO 96 2HG PRO 96 -0.304 10.543 0.041 748 HD2 PRO 96 1HD PRO 96 -0.114 12.781 -1.472 749 HD3 PRO 96 2HD PRO 96 -1.292 12.617 -0.154 750 H ASP 97 H ASP 97 3.299 12.071 2.636 751 HA ASP 97 HA ASP 97 5.310 13.526 1.075 752 HB2 ASP 97 1HB ASP 97 5.269 12.303 3.802 753 HB3 ASP 97 2HB ASP 97 6.812 12.459 2.968 754 H LYS 98 H LYS 98 5.680 12.379 -0.749 755 HA LYS 98 HA LYS 98 5.502 9.764 -1.326 756 HB2 LYS 98 1HB LYS 98 6.392 11.723 -2.766 757 HB3 LYS 98 2HB LYS 98 7.978 11.241 -2.177 758 HG2 LYS 98 1HG LYS 98 7.610 8.988 -3.094 759 HG3 LYS 98 2HG LYS 98 6.054 9.524 -3.733 760 HD2 LYS 98 1HD LYS 98 7.350 9.854 -5.583 761 HD3 LYS 98 2HD LYS 98 7.565 11.422 -4.801 762 HE2 LYS 98 1HE LYS 98 9.439 9.219 -4.102 763 HE3 LYS 98 2HE LYS 98 9.623 10.007 -5.668 764 HZ1 LYS 98 1HZ LYS 98 9.726 12.149 -4.479 765 HZ2 LYS 98 2HZ LYS 98 10.995 11.109 -4.069 766 HZ3 LYS 98 3HZ LYS 98 9.696 11.318 -3.005 767 H LEU 99 H LEU 99 8.343 11.252 0.211 768 HA LEU 99 HA LEU 99 9.931 8.988 0.434 769 HB2 LEU 99 1HB LEU 99 9.739 11.178 2.491 770 HB3 LEU 99 2HB LEU 99 11.122 10.135 2.166 771 HG LEU 99 HG LEU 99 10.073 12.041 0.096 772 HD11 LEU 99 1HD1 LEU 99 11.401 13.778 0.878 773 HD12 LEU 99 2HD1 LEU 99 12.331 12.722 1.941 774 HD13 LEU 99 3HD1 LEU 99 10.666 13.139 2.349 775 HD21 LEU 99 1HD2 LEU 99 12.820 11.799 -0.079 776 HD22 LEU 99 2HD2 LEU 99 11.630 10.974 -1.087 777 HD23 LEU 99 3HD2 LEU 99 12.281 10.174 0.345 778 H THR 100 H THR 100 7.400 10.180 2.600 779 HA THR 100 HA THR 100 7.767 8.268 4.640 780 HB THR 100 HB THR 100 5.146 9.588 3.930 781 HG1 THR 100 1HG THR 100 7.228 10.602 5.594 782 HG21 THR 100 1HG2 THR 100 5.623 7.708 5.807 783 HG22 THR 100 2HG2 THR 100 4.407 8.974 5.981 784 HG23 THR 100 3HG2 THR 100 5.993 9.167 6.726 785 H VAL 101 H VAL 101 5.097 8.415 2.274 786 HA VAL 101 HA VAL 101 3.954 5.982 2.687 787 HB VAL 101 HB VAL 101 4.411 7.268 -0.009 788 HG11 VAL 101 1HG1 VAL 101 2.043 5.576 0.535 789 HG12 VAL 101 2HG1 VAL 101 2.960 5.802 -0.956 790 HG13 VAL 101 3HG1 VAL 101 3.586 4.751 0.314 791 HG21 VAL 101 1HG2 VAL 101 2.208 7.558 2.025 792 HG22 VAL 101 2HG2 VAL 101 3.301 8.811 1.436 793 HG23 VAL 101 3HG2 VAL 101 2.085 8.123 0.359 794 H MET 102 H MET 102 6.449 6.543 0.192 795 HA MET 102 HA MET 102 6.885 4.000 -0.658 796 HB2 MET 102 1HB MET 102 8.720 6.331 -0.284 797 HB3 MET 102 2HB MET 102 9.399 4.782 -0.768 798 HG2 MET 102 1HG MET 102 7.842 4.754 -2.692 799 HG3 MET 102 2HG MET 102 7.301 6.366 -2.229 800 HE1 MET 102 1HE MET 102 9.320 4.839 -4.941 801 HE2 MET 102 2HE MET 102 11.001 5.185 -4.536 802 HE3 MET 102 3HE MET 102 10.049 4.115 -3.506 803 H THR 103 H THR 103 8.361 5.504 2.203 804 HA THR 103 HA THR 103 10.005 3.428 3.007 805 HB THR 103 HB THR 103 8.452 5.327 4.777 806 HG1 THR 103 1HG THR 103 10.575 5.653 3.118 807 HG21 THR 103 1HG2 THR 103 9.856 4.756 6.552 808 HG22 THR 103 2HG2 THR 103 11.037 3.983 5.494 809 HG23 THR 103 3HG2 THR 103 9.489 3.199 5.811 810 H TYR 104 H TYR 104 6.652 4.041 4.059 811 HA TYR 104 HA TYR 104 6.324 1.824 5.682 812 HB2 TYR 104 1HB TYR 104 4.707 3.715 5.435 813 HB3 TYR 104 2HB TYR 104 4.197 3.025 3.899 814 HD1 TYR 104 2HD TYR 104 4.958 1.335 7.133 815 HD2 TYR 104 1HD TYR 104 2.004 2.324 4.236 816 HE1 TYR 104 2HE TYR 104 3.333 -0.083 8.315 817 HE2 TYR 104 1HE TYR 104 0.370 0.910 5.410 818 HH TYR 104 HH TYR 104 0.189 -0.790 6.969 819 H LEU 105 H LEU 105 5.314 2.092 2.269 820 HA LEU 105 HA LEU 105 4.396 -0.374 1.729 821 HB2 LEU 105 1HB LEU 105 6.126 1.462 0.137 822 HB3 LEU 105 2HB LEU 105 5.737 -0.131 -0.509 823 HG LEU 105 HG LEU 105 3.601 1.795 0.364 824 HD11 LEU 105 1HD1 LEU 105 5.219 1.770 -2.126 825 HD12 LEU 105 2HD1 LEU 105 4.499 3.123 -1.255 826 HD13 LEU 105 3HD1 LEU 105 3.489 2.083 -2.258 827 HD21 LEU 105 1HD2 LEU 105 3.632 -0.556 -1.526 828 HD22 LEU 105 2HD2 LEU 105 2.238 0.470 -1.189 829 HD23 LEU 105 3HD2 LEU 105 2.931 -0.525 0.092 830 H TYR 106 H TYR 106 7.857 0.402 1.321 831 HA TYR 106 HA TYR 106 8.963 -1.959 0.769 832 HB2 TYR 106 1HB TYR 106 9.876 0.139 2.717 833 HB3 TYR 106 2HB TYR 106 10.843 -1.305 2.437 834 HD1 TYR 106 2HD TYR 106 10.848 -1.807 -0.328 835 HD2 TYR 106 1HD TYR 106 10.731 1.972 1.623 836 HE1 TYR 106 2HE TYR 106 11.847 -0.757 -2.315 837 HE2 TYR 106 1HE TYR 106 11.728 3.033 -0.359 838 HH TYR 106 HH TYR 106 13.358 1.668 -2.552 839 H GLN 107 H GLN 107 7.721 -1.059 3.947 840 HA GLN 107 HA GLN 107 8.610 -3.294 5.380 841 HB2 GLN 107 1HB GLN 107 6.078 -1.704 5.827 842 HB3 GLN 107 2HB GLN 107 6.876 -2.736 7.006 843 HG2 GLN 107 1HG GLN 107 8.202 -0.345 5.765 844 HG3 GLN 107 2HG GLN 107 7.258 -0.263 7.252 845 HE21 GLN 107 1HE2 GLN 107 10.261 -0.198 6.284 846 HE22 GLN 107 2HE2 GLN 107 11.057 -1.074 7.543 847 H ILE 108 H ILE 108 5.566 -2.738 3.639 848 HA ILE 108 HA ILE 108 4.456 -5.280 4.250 849 HB ILE 108 HB ILE 108 3.788 -3.346 2.030 850 HG12 ILE 108 1HG1 ILE 108 1.697 -3.244 3.716 851 HG13 ILE 108 2HG1 ILE 108 2.963 -3.654 4.868 852 HG21 ILE 108 1HG2 ILE 108 3.152 -5.825 1.733 853 HG22 ILE 108 2HG2 ILE 108 1.980 -5.522 3.015 854 HG23 ILE 108 3HG2 ILE 108 1.900 -4.603 1.512 855 HD11 ILE 108 1HD1 ILE 108 3.159 -1.339 2.965 856 HD12 ILE 108 2HD1 ILE 108 2.495 -1.212 4.594 857 HD13 ILE 108 3HD1 ILE 108 4.177 -1.687 4.362 858 H ARG 109 H ARG 109 5.747 -3.998 1.178 859 HA ARG 109 HA ARG 109 5.688 -6.352 -0.275 860 HB2 ARG 109 1HB ARG 109 6.144 -4.367 -1.462 861 HB3 ARG 109 2HB ARG 109 7.494 -3.951 -0.415 862 HG2 ARG 109 1HG ARG 109 7.656 -6.453 -2.013 863 HG3 ARG 109 2HG ARG 109 7.878 -4.904 -2.830 864 HD2 ARG 109 1HD ARG 109 9.569 -4.368 -1.004 865 HD3 ARG 109 2HD ARG 109 9.487 -6.077 -0.578 866 HE ARG 109 HE ARG 109 10.653 -6.594 -2.502 867 HH11 ARG 109 1HH1 ARG 109 9.727 -3.238 -2.523 868 HH12 ARG 109 2HH1 ARG 109 10.735 -2.834 -3.873 869 HH21 ARG 109 1HH2 ARG 109 11.984 -6.074 -4.280 870 HH22 ARG 109 2HH2 ARG 109 12.018 -4.448 -4.872 871 H ALA 110 H ALA 110 8.095 -5.202 2.016 872 HA ALA 110 HA ALA 110 10.052 -7.179 1.455 873 HB1 ALA 110 1HB ALA 110 10.941 -6.519 3.729 874 HB2 ALA 110 2HB ALA 110 10.792 -5.220 2.546 875 HB3 ALA 110 3HB ALA 110 9.591 -5.388 3.826 876 H HIS 111 H HIS 111 7.532 -6.918 3.948 877 HA HIS 111 HA HIS 111 8.078 -9.192 5.412 878 HB2 HIS 111 1HB HIS 111 6.365 -7.554 6.050 879 HB3 HIS 111 2HB HIS 111 5.354 -8.076 4.706 880 HD1 HIS 111 1HD HIS 111 6.332 -8.958 8.167 881 HD2 HIS 111 2HD HIS 111 4.149 -10.629 5.052 882 HE1 HIS 111 1HE HIS 111 5.033 -10.850 9.195 883 HE2 HIS 111 2HE HIS 111 3.785 -11.900 7.275 884 H PHE 112 H PHE 112 5.691 -8.992 2.764 885 HA PHE 112 HA PHE 112 5.246 -11.754 2.582 886 HB2 PHE 112 1HB PHE 112 4.863 -9.509 0.605 887 HB3 PHE 112 2HB PHE 112 4.413 -11.172 0.239 888 HD1 PHE 112 1HD PHE 112 2.798 -12.323 1.882 889 HD2 PHE 112 2HD PHE 112 3.367 -8.110 1.678 890 HE1 PHE 112 1HE PHE 112 0.627 -11.980 2.988 891 HE2 PHE 112 2HE PHE 112 1.198 -7.760 2.784 892 HZ PHE 112 HZ PHE 112 -0.175 -9.696 3.441 893 H SER 113 H SER 113 7.349 -9.640 0.641 894 HA SER 113 HA SER 113 8.776 -12.052 -0.273 895 HB2 SER 113 1HB SER 113 7.530 -10.526 -1.977 896 HB3 SER 113 2HB SER 113 8.889 -9.429 -1.736 897 HG SER 113 HG SER 113 8.795 -11.504 -3.330 898 H SER 114 H SER 114 10.383 -12.195 1.220 899 HA SER 114 HA SER 114 11.902 -9.840 1.977 900 HB2 SER 114 1HB SER 114 12.211 -12.742 2.788 901 HB3 SER 114 2HB SER 114 13.117 -11.393 3.474 902 HG SER 114 HG SER 114 11.447 -10.880 4.648 903 H GLY 115 H GLY 115 13.086 -9.180 0.230 904 HA2 GLY 115 1HA GLY 115 14.458 -10.898 -1.542 905 HA3 GLY 115 2HA GLY 115 14.763 -9.179 -1.338 906 HA PRO 116 HA PRO 116 18.491 -9.876 0.864 907 HB2 PRO 116 1HB PRO 116 18.275 -8.492 3.190 908 HB3 PRO 116 2HB PRO 116 18.459 -7.706 1.617 909 HG2 PRO 116 1HG PRO 116 15.977 -8.163 3.227 910 HG3 PRO 116 2HG PRO 116 16.483 -6.715 2.337 911 HD2 PRO 116 1HD PRO 116 14.672 -8.472 1.354 912 HD3 PRO 116 2HD PRO 116 15.786 -7.565 0.311 913 H SER 117 H SER 117 15.707 -11.257 1.961 914 HA SER 117 HA SER 117 15.882 -12.166 4.459 915 HB2 SER 117 1HB SER 117 14.180 -13.045 3.017 916 HB3 SER 117 2HB SER 117 15.376 -13.829 1.985 917 HG SER 117 HG SER 117 15.266 -15.481 3.260 918 H SER 118 H SER 118 17.758 -12.441 5.525 919 HA SER 118 HA SER 118 19.967 -13.883 4.351 920 HB2 SER 118 1HB SER 118 20.454 -11.963 5.762 921 HB3 SER 118 2HB SER 118 19.591 -12.700 7.112 922 HG SER 118 HG SER 118 21.704 -13.162 7.455 923 H GLY 119 H GLY 119 20.376 -15.987 4.554 924 HA2 GLY 119 1HA GLY 119 20.556 -17.885 6.131 925 HA3 GLY 119 2HA GLY 119 18.932 -17.475 6.662 Start of MODEL 17 1 H1 GLY 1 H GLY 1 9.125 -4.560 -19.697 2 HA2 GLY 1 1HA GLY 1 10.901 -2.941 -18.096 3 HA3 GLY 1 2HA GLY 1 10.206 -4.302 -17.227 4 H SER 2 H SER 2 12.767 -4.469 -17.245 5 HA SER 2 HA SER 2 13.356 -6.576 -19.180 6 HB2 SER 2 1HB SER 2 14.247 -4.330 -20.019 7 HB3 SER 2 2HB SER 2 15.376 -4.393 -18.666 8 HG SER 2 HG SER 2 15.874 -6.591 -19.578 9 H SER 3 H SER 3 14.804 -8.119 -18.452 10 HA SER 3 HA SER 3 14.937 -8.547 -15.687 11 HB2 SER 3 1HB SER 3 15.093 -10.336 -17.417 12 HB3 SER 3 2HB SER 3 16.719 -9.774 -17.806 13 HG SER 3 HG SER 3 16.912 -10.085 -15.319 14 H GLY 4 H GLY 4 15.960 -7.155 -14.376 15 HA2 GLY 4 1HA GLY 4 18.776 -7.059 -14.288 16 HA3 GLY 4 2HA GLY 4 18.181 -5.582 -15.030 17 H SER 5 H SER 5 16.697 -7.470 -12.431 18 HA SER 5 HA SER 5 17.419 -5.445 -10.471 19 HB2 SER 5 1HB SER 5 15.005 -5.214 -9.767 20 HB3 SER 5 2HB SER 5 15.396 -4.477 -11.321 21 HG SER 5 HG SER 5 14.067 -6.931 -10.837 22 H SER 6 H SER 6 17.207 -6.132 -8.320 23 HA SER 6 HA SER 6 16.735 -9.026 -8.020 24 HB2 SER 6 1HB SER 6 19.098 -7.900 -7.611 25 HB3 SER 6 2HB SER 6 18.388 -7.507 -6.046 26 HG SER 6 HG SER 6 19.344 -9.483 -5.825 27 H GLY 7 H GLY 7 16.826 -6.106 -5.961 28 HA2 GLY 7 1HA GLY 7 14.114 -6.529 -5.089 29 HA3 GLY 7 2HA GLY 7 15.305 -6.934 -3.862 30 HA PRO 8 HA PRO 8 15.228 -2.728 -2.597 31 HB2 PRO 8 1HB PRO 8 17.619 -2.612 -1.315 32 HB3 PRO 8 2HB PRO 8 16.212 -3.450 -0.650 33 HG2 PRO 8 1HG PRO 8 18.573 -4.576 -2.105 34 HG3 PRO 8 2HG PRO 8 17.753 -5.191 -0.658 35 HD2 PRO 8 1HD PRO 8 17.316 -6.216 -3.125 36 HD3 PRO 8 2HD PRO 8 16.054 -6.159 -1.877 37 H ASN 9 H ASN 9 17.127 -0.906 -2.377 38 HA ASN 9 HA ASN 9 18.195 0.695 -3.602 39 HB2 ASN 9 1HB ASN 9 19.885 -1.304 -3.309 40 HB3 ASN 9 2HB ASN 9 19.683 -1.460 -5.052 41 HD21 ASN 9 1HD2 ASN 9 21.905 -0.932 -5.257 42 HD22 ASN 9 2HD2 ASN 9 22.432 0.710 -5.156 43 H ALA 10 H ALA 10 15.756 0.152 -4.687 44 HA ALA 10 HA ALA 10 16.071 1.055 -7.353 45 HB1 ALA 10 1HB ALA 10 16.615 -1.253 -7.824 46 HB2 ALA 10 2HB ALA 10 15.138 -1.793 -7.025 47 HB3 ALA 10 3HB ALA 10 15.041 -0.858 -8.517 48 H SER 11 H SER 11 14.409 2.371 -7.668 49 HA SER 11 HA SER 11 12.146 2.370 -5.936 50 HB2 SER 11 1HB SER 11 12.535 3.911 -8.513 51 HB3 SER 11 2HB SER 11 11.386 4.284 -7.228 52 HG SER 11 HG SER 11 12.984 5.006 -5.980 53 H GLN 12 H GLN 12 12.310 2.060 -9.489 54 HA GLN 12 HA GLN 12 9.756 1.360 -10.058 55 HB2 GLN 12 1HB GLN 12 11.445 1.610 -11.786 56 HB3 GLN 12 2HB GLN 12 12.261 0.152 -11.240 57 HG2 GLN 12 1HG GLN 12 11.110 -0.708 -12.990 58 HG3 GLN 12 2HG GLN 12 9.900 -0.923 -11.727 59 HE21 GLN 12 1HE2 GLN 12 8.008 -0.630 -12.685 60 HE22 GLN 12 2HE2 GLN 12 7.573 0.727 -13.662 61 H SER 13 H SER 13 12.276 -0.812 -8.845 62 HA SER 13 HA SER 13 11.124 -3.260 -9.031 63 HB2 SER 13 1HB SER 13 12.849 -1.998 -6.947 64 HB3 SER 13 2HB SER 13 12.146 -3.577 -6.598 65 HG SER 13 HG SER 13 13.032 -4.059 -8.847 66 H LEU 14 H LEU 14 10.622 -1.069 -6.259 67 HA LEU 14 HA LEU 14 8.677 -2.584 -4.967 68 HB2 LEU 14 1HB LEU 14 9.604 -0.848 -3.726 69 HB3 LEU 14 2HB LEU 14 9.328 0.337 -5.001 70 HG LEU 14 HG LEU 14 6.844 0.057 -4.497 71 HD11 LEU 14 1HD1 LEU 14 6.878 -1.972 -3.237 72 HD12 LEU 14 2HD1 LEU 14 6.376 -0.670 -2.159 73 HD13 LEU 14 3HD1 LEU 14 8.023 -1.297 -2.078 74 HD21 LEU 14 1HD2 LEU 14 6.991 1.934 -3.280 75 HD22 LEU 14 2HD2 LEU 14 8.728 1.783 -3.552 76 HD23 LEU 14 3HD2 LEU 14 8.013 1.179 -2.056 77 H LEU 15 H LEU 15 8.069 0.351 -6.907 78 HA LEU 15 HA LEU 15 5.428 0.477 -7.087 79 HB2 LEU 15 1HB LEU 15 7.067 1.813 -8.418 80 HB3 LEU 15 2HB LEU 15 7.138 0.479 -9.568 81 HG LEU 15 HG LEU 15 4.499 0.913 -9.589 82 HD11 LEU 15 1HD1 LEU 15 5.659 3.654 -9.127 83 HD12 LEU 15 2HD1 LEU 15 4.723 2.755 -7.933 84 HD13 LEU 15 3HD1 LEU 15 3.975 3.243 -9.453 85 HD21 LEU 15 1HD2 LEU 15 6.436 1.080 -11.384 86 HD22 LEU 15 2HD2 LEU 15 6.115 2.806 -11.212 87 HD23 LEU 15 3HD2 LEU 15 4.820 1.712 -11.701 88 H VAL 16 H VAL 16 7.161 -1.523 -9.481 89 HA VAL 16 HA VAL 16 5.070 -2.837 -10.616 90 HB VAL 16 HB VAL 16 7.646 -4.221 -9.867 91 HG11 VAL 16 1HG1 VAL 16 5.552 -4.688 -11.968 92 HG12 VAL 16 2HG1 VAL 16 7.188 -5.332 -12.120 93 HG13 VAL 16 3HG1 VAL 16 6.172 -5.813 -10.760 94 HG21 VAL 16 1HG2 VAL 16 8.718 -2.704 -11.088 95 HG22 VAL 16 2HG2 VAL 16 7.816 -3.272 -12.493 96 HG23 VAL 16 3HG2 VAL 16 7.204 -1.920 -11.540 97 H TRP 17 H TRP 17 6.907 -4.137 -7.845 98 HA TRP 17 HA TRP 17 5.648 -6.379 -7.199 99 HB2 TRP 17 1HB TRP 17 7.361 -5.329 -5.772 100 HB3 TRP 17 2HB TRP 17 6.165 -4.171 -5.196 101 HD1 TRP 17 HD TRP 17 7.154 -7.859 -4.882 102 HE1 TRP 17 1HE TRP 17 5.992 -8.845 -2.808 103 HE3 TRP 17 3HE TRP 17 4.143 -3.905 -3.681 104 HZ2 TRP 17 2HZ TRP 17 4.055 -8.052 -0.913 105 HZ3 TRP 17 3HZ TRP 17 2.665 -4.100 -1.724 106 HH2 TRP 17 HH TRP 17 2.623 -6.131 -0.370 107 H CYS 18 H CYS 18 4.264 -3.168 -6.678 108 HA CYS 18 HA CYS 18 1.860 -4.186 -5.484 109 HB2 CYS 18 1HB CYS 18 2.144 -1.440 -6.677 110 HB3 CYS 18 2HB CYS 18 1.168 -1.947 -5.304 111 HG CYS 18 HG CYS 18 3.051 -0.431 -4.116 112 H LYS 19 H LYS 19 2.703 -2.785 -8.639 113 HA LYS 19 HA LYS 19 0.182 -2.886 -9.814 114 HB2 LYS 19 1HB LYS 19 2.768 -3.396 -11.282 115 HB3 LYS 19 2HB LYS 19 1.291 -2.689 -11.922 116 HG2 LYS 19 1HG LYS 19 1.641 -0.781 -10.319 117 HG3 LYS 19 2HG LYS 19 3.237 -1.459 -9.991 118 HD2 LYS 19 1HD LYS 19 2.489 -1.064 -12.832 119 HD3 LYS 19 2HD LYS 19 2.813 0.383 -11.875 120 HE2 LYS 19 1HE LYS 19 4.911 -0.101 -12.686 121 HE3 LYS 19 2HE LYS 19 4.941 -0.936 -11.134 122 HZ1 LYS 19 1HZ LYS 19 4.806 -2.047 -13.840 123 HZ2 LYS 19 2HZ LYS 19 4.042 -2.897 -12.594 124 HZ3 LYS 19 3HZ LYS 19 5.699 -2.572 -12.503 125 H GLU 20 H GLU 20 2.702 -5.364 -9.630 126 HA GLU 20 HA GLU 20 1.571 -7.275 -11.302 127 HB2 GLU 20 1HB GLU 20 3.844 -7.201 -9.945 128 HB3 GLU 20 2HB GLU 20 2.925 -8.162 -8.795 129 HG2 GLU 20 1HG GLU 20 3.999 -9.734 -10.125 130 HG3 GLU 20 2HG GLU 20 2.360 -9.671 -10.771 131 H VAL 21 H VAL 21 1.479 -7.488 -7.746 132 HA VAL 21 HA VAL 21 -0.486 -9.396 -7.522 133 HB VAL 21 HB VAL 21 -0.683 -8.853 -5.276 134 HG11 VAL 21 1HG1 VAL 21 1.829 -8.789 -6.413 135 HG12 VAL 21 2HG1 VAL 21 1.825 -7.385 -5.344 136 HG13 VAL 21 3HG1 VAL 21 1.469 -8.987 -4.698 137 HG21 VAL 21 1HG2 VAL 21 -1.625 -6.744 -5.200 138 HG22 VAL 21 2HG2 VAL 21 -0.031 -6.455 -4.502 139 HG23 VAL 21 3HG2 VAL 21 -0.349 -6.024 -6.182 140 H THR 22 H THR 22 -0.824 -6.054 -8.357 141 HA THR 22 HA THR 22 -3.749 -6.241 -8.126 142 HB THR 22 HB THR 22 -3.775 -3.790 -8.358 143 HG1 THR 22 1HG THR 22 -1.064 -4.234 -8.847 144 HG21 THR 22 1HG2 THR 22 -1.947 -3.666 -6.225 145 HG22 THR 22 2HG2 THR 22 -2.666 -5.275 -6.163 146 HG23 THR 22 3HG2 THR 22 -3.698 -3.846 -6.132 147 H LYS 23 H LYS 23 -2.148 -7.468 -10.265 148 HA LYS 23 HA LYS 23 -2.518 -5.874 -12.625 149 HB2 LYS 23 1HB LYS 23 -1.699 -7.798 -13.835 150 HB3 LYS 23 2HB LYS 23 -0.706 -7.556 -12.404 151 HG2 LYS 23 1HG LYS 23 -2.030 -9.320 -11.259 152 HG3 LYS 23 2HG LYS 23 -2.866 -9.617 -12.785 153 HD2 LYS 23 1HD LYS 23 0.124 -9.675 -12.670 154 HD3 LYS 23 2HD LYS 23 -0.811 -11.075 -12.138 155 HE2 LYS 23 1HE LYS 23 -1.161 -9.762 -14.826 156 HE3 LYS 23 2HE LYS 23 -0.069 -11.116 -14.542 157 HZ1 LYS 23 1HZ LYS 23 -2.194 -11.876 -15.381 158 HZ2 LYS 23 2HZ LYS 23 -3.006 -11.132 -14.097 159 HZ3 LYS 23 3HZ LYS 23 -1.963 -12.430 -13.799 160 H ASN 24 H ASN 24 -4.437 -8.065 -10.802 161 HA ASN 24 HA ASN 24 -6.435 -8.126 -12.968 162 HB2 ASN 24 1HB ASN 24 -5.574 -10.199 -11.008 163 HB3 ASN 24 2HB ASN 24 -7.276 -10.156 -11.457 164 HD21 ASN 24 1HD2 ASN 24 -5.885 -12.361 -12.049 165 HD22 ASN 24 2HD2 ASN 24 -5.585 -12.465 -13.747 166 H TYR 25 H TYR 25 -6.435 -5.895 -11.491 167 HA TYR 25 HA TYR 25 -8.705 -6.266 -9.648 168 HB2 TYR 25 1HB TYR 25 -6.299 -4.482 -9.432 169 HB3 TYR 25 2HB TYR 25 -7.802 -4.054 -8.623 170 HD1 TYR 25 2HD TYR 25 -5.766 -7.168 -9.051 171 HD2 TYR 25 1HD TYR 25 -7.835 -4.576 -6.385 172 HE1 TYR 25 2HE TYR 25 -5.163 -8.632 -7.169 173 HE2 TYR 25 1HE TYR 25 -7.237 -6.033 -4.496 174 HH TYR 25 HH TYR 25 -6.605 -8.400 -4.124 175 H ARG 26 H ARG 26 -9.682 -3.875 -9.281 176 HA ARG 26 HA ARG 26 -10.121 -2.726 -11.958 177 HB2 ARG 26 1HB ARG 26 -12.057 -4.069 -11.298 178 HB3 ARG 26 2HB ARG 26 -12.182 -3.171 -9.792 179 HG2 ARG 26 1HG ARG 26 -12.706 -1.143 -11.012 180 HG3 ARG 26 2HG ARG 26 -12.513 -1.998 -12.544 181 HD2 ARG 26 1HD ARG 26 -14.774 -2.155 -12.327 182 HD3 ARG 26 2HD ARG 26 -14.307 -3.606 -11.441 183 HE ARG 26 HE ARG 26 -15.212 -2.665 -9.579 184 HH11 ARG 26 1HH1 ARG 26 -14.376 -0.116 -11.798 185 HH12 ARG 26 2HH1 ARG 26 -15.036 1.141 -10.806 186 HH21 ARG 26 1HH2 ARG 26 -16.085 -1.018 -8.264 187 HH22 ARG 26 2HH2 ARG 26 -16.007 0.627 -8.796 188 H GLY 27 H GLY 27 -9.067 -0.830 -11.880 189 HA2 GLY 27 1HA GLY 27 -9.009 1.457 -11.363 190 HA3 GLY 27 2HA GLY 27 -9.959 1.132 -9.920 191 H VAL 28 H VAL 28 -6.925 -0.369 -10.969 192 HA VAL 28 HA VAL 28 -5.621 0.796 -8.597 193 HB VAL 28 HB VAL 28 -5.313 -2.023 -9.636 194 HG11 VAL 28 1HG1 VAL 28 -3.189 -1.664 -8.904 195 HG12 VAL 28 2HG1 VAL 28 -3.670 -0.380 -7.793 196 HG13 VAL 28 3HG1 VAL 28 -3.939 -2.069 -7.361 197 HG21 VAL 28 1HG2 VAL 28 -7.195 -2.172 -8.356 198 HG22 VAL 28 2HG2 VAL 28 -5.978 -2.359 -7.093 199 HG23 VAL 28 3HG2 VAL 28 -6.752 -0.795 -7.346 200 H LYS 29 H LYS 29 -4.692 2.415 -9.909 201 HA LYS 29 HA LYS 29 -2.614 1.443 -11.761 202 HB2 LYS 29 1HB LYS 29 -4.386 2.779 -12.853 203 HB3 LYS 29 2HB LYS 29 -4.019 4.121 -11.778 204 HG2 LYS 29 1HG LYS 29 -1.777 4.276 -12.719 205 HG3 LYS 29 2HG LYS 29 -2.127 2.914 -13.786 206 HD2 LYS 29 1HD LYS 29 -2.460 4.819 -15.117 207 HD3 LYS 29 2HD LYS 29 -4.084 4.313 -14.645 208 HE2 LYS 29 1HE LYS 29 -2.657 6.276 -12.925 209 HE3 LYS 29 2HE LYS 29 -3.303 6.834 -14.467 210 HZ1 LYS 29 1HZ LYS 29 -5.240 7.042 -13.435 211 HZ2 LYS 29 2HZ LYS 29 -4.679 6.256 -12.047 212 HZ3 LYS 29 3HZ LYS 29 -5.318 5.355 -13.328 213 H ILE 30 H ILE 30 -0.887 1.301 -10.396 214 HA ILE 30 HA ILE 30 -0.275 3.310 -8.453 215 HB ILE 30 HB ILE 30 1.445 1.073 -9.530 216 HG12 ILE 30 1HG1 ILE 30 0.787 0.421 -6.961 217 HG13 ILE 30 2HG1 ILE 30 -0.682 1.230 -7.497 218 HG21 ILE 30 1HG2 ILE 30 2.385 3.236 -8.247 219 HG22 ILE 30 2HG2 ILE 30 1.953 2.230 -6.865 220 HG23 ILE 30 3HG2 ILE 30 3.083 1.626 -8.076 221 HD11 ILE 30 1HD1 ILE 30 0.617 -1.211 -8.660 222 HD12 ILE 30 2HD1 ILE 30 -0.984 -1.060 -7.934 223 HD13 ILE 30 3HD1 ILE 30 -0.647 -0.308 -9.493 224 H THR 31 H THR 31 -0.278 5.197 -9.819 225 HA THR 31 HA THR 31 1.933 5.441 -11.711 226 HB THR 31 HB THR 31 -0.411 7.230 -11.079 227 HG1 THR 31 1HG THR 31 0.313 6.264 -13.624 228 HG21 THR 31 1HG2 THR 31 1.510 8.673 -11.451 229 HG22 THR 31 2HG2 THR 31 0.429 8.735 -12.844 230 HG23 THR 31 3HG2 THR 31 1.915 7.789 -12.922 231 H ASN 32 H ASN 32 0.971 6.470 -8.534 232 HA ASN 32 HA ASN 32 3.604 7.639 -8.126 233 HB2 ASN 32 1HB ASN 32 2.196 9.538 -6.840 234 HB3 ASN 32 2HB ASN 32 2.731 9.708 -8.509 235 HD21 ASN 32 1HD2 ASN 32 1.008 11.169 -8.841 236 HD22 ASN 32 2HD2 ASN 32 -0.605 10.598 -9.082 237 H PHE 33 H PHE 33 4.200 7.814 -5.911 238 HA PHE 33 HA PHE 33 2.780 5.907 -4.225 239 HB2 PHE 33 1HB PHE 33 5.506 7.178 -4.096 240 HB3 PHE 33 2HB PHE 33 4.837 6.303 -2.722 241 HD1 PHE 33 2HD PHE 33 3.791 3.924 -3.451 242 HD2 PHE 33 1HD PHE 33 6.914 6.006 -5.459 243 HE1 PHE 33 2HE PHE 33 4.578 1.803 -4.419 244 HE2 PHE 33 1HE PHE 33 7.705 3.888 -6.431 245 HZ PHE 33 HZ PHE 33 6.537 1.783 -5.911 246 H THR 34 H THR 34 2.126 8.895 -4.812 247 HA THR 34 HA THR 34 1.887 9.748 -2.002 248 HB THR 34 HB THR 34 1.564 12.044 -2.890 249 HG1 THR 34 1HG THR 34 1.243 12.272 -4.961 250 HG21 THR 34 1HG2 THR 34 4.074 10.510 -3.458 251 HG22 THR 34 2HG2 THR 34 3.750 11.691 -2.189 252 HG23 THR 34 3HG2 THR 34 3.970 12.225 -3.855 253 H THR 35 H THR 35 0.140 10.286 -5.069 254 HA THR 35 HA THR 35 -2.367 10.549 -3.670 255 HB THR 35 HB THR 35 -3.358 10.905 -5.878 256 HG1 THR 35 1HG THR 35 -2.267 10.493 -7.706 257 HG21 THR 35 1HG2 THR 35 -1.983 12.695 -4.634 258 HG22 THR 35 2HG2 THR 35 -2.371 12.977 -6.331 259 HG23 THR 35 3HG2 THR 35 -0.763 12.414 -5.875 260 H SER 36 H SER 36 -1.077 8.300 -6.119 261 HA SER 36 HA SER 36 -3.092 6.565 -6.494 262 HB2 SER 36 1HB SER 36 -0.534 6.454 -7.165 263 HB3 SER 36 2HB SER 36 -0.456 5.330 -5.807 264 HG SER 36 HG SER 36 -1.990 5.128 -8.174 265 H TRP 37 H TRP 37 -1.363 7.030 -3.520 266 HA TRP 37 HA TRP 37 -2.883 4.829 -2.288 267 HB2 TRP 37 1HB TRP 37 -0.446 6.177 -1.123 268 HB3 TRP 37 2HB TRP 37 -1.190 4.663 -0.615 269 HD1 TRP 37 HD TRP 37 0.879 6.115 -3.531 270 HE1 TRP 37 1HE TRP 37 2.137 4.177 -4.665 271 HE3 TRP 37 3HE TRP 37 -1.141 2.204 -0.931 272 HZ2 TRP 37 2HZ TRP 37 2.256 1.363 -4.482 273 HZ3 TRP 37 3HZ TRP 37 -0.402 -0.079 -1.472 274 HH2 TRP 37 HH TRP 37 1.262 -0.489 -3.212 275 H ARG 38 H ARG 38 -2.440 8.222 -2.392 276 HA ARG 38 HA ARG 38 -3.004 9.275 -0.003 277 HB2 ARG 38 1HB ARG 38 -2.947 10.808 -1.759 278 HB3 ARG 38 2HB ARG 38 -4.145 9.926 -2.697 279 HG2 ARG 38 1HG ARG 38 -5.909 10.845 -1.574 280 HG3 ARG 38 2HG ARG 38 -4.974 11.108 -0.100 281 HD2 ARG 38 1HD ARG 38 -5.119 13.261 -0.833 282 HD3 ARG 38 2HD ARG 38 -3.650 12.771 -1.677 283 HE ARG 38 HE ARG 38 -4.788 12.878 -3.676 284 HH11 ARG 38 1HH1 ARG 38 -7.026 13.133 -1.022 285 HH12 ARG 38 2HH1 ARG 38 -8.363 13.596 -2.022 286 HH21 ARG 38 1HH2 ARG 38 -6.540 13.486 -5.004 287 HH22 ARG 38 2HH2 ARG 38 -8.085 13.795 -4.288 288 H ASN 39 H ASN 39 -5.474 7.802 -2.098 289 HA ASN 39 HA ASN 39 -7.560 8.108 -0.167 290 HB2 ASN 39 1HB ASN 39 -8.657 6.335 -1.783 291 HB3 ASN 39 2HB ASN 39 -8.437 8.005 -2.299 292 HD21 ASN 39 1HD2 ASN 39 -8.626 6.960 -4.429 293 HD22 ASN 39 2HD2 ASN 39 -7.190 6.340 -5.164 294 H GLY 40 H GLY 40 -5.501 5.421 -1.220 295 HA2 GLY 40 1HA GLY 40 -4.728 3.857 0.480 296 HA3 GLY 40 2HA GLY 40 -6.312 3.985 1.229 297 H LEU 41 H LEU 41 -5.779 3.659 -2.226 298 HA LEU 41 HA LEU 41 -7.448 1.300 -2.264 299 HB2 LEU 41 1HB LEU 41 -6.149 2.969 -4.396 300 HB3 LEU 41 2HB LEU 41 -6.983 1.462 -4.768 301 HG LEU 41 HG LEU 41 -8.210 3.940 -3.558 302 HD11 LEU 41 1HD1 LEU 41 -7.578 3.807 -6.067 303 HD12 LEU 41 2HD1 LEU 41 -9.191 4.353 -5.609 304 HD13 LEU 41 3HD1 LEU 41 -8.948 2.701 -6.177 305 HD21 LEU 41 1HD2 LEU 41 -9.401 1.249 -4.212 306 HD22 LEU 41 2HD2 LEU 41 -10.346 2.698 -3.870 307 HD23 LEU 41 3HD2 LEU 41 -9.295 2.016 -2.628 308 H SER 42 H SER 42 -4.327 1.979 -3.852 309 HA SER 42 HA SER 42 -3.563 -0.588 -4.398 310 HB2 SER 42 1HB SER 42 -1.812 1.732 -3.558 311 HB3 SER 42 2HB SER 42 -1.204 0.240 -4.274 312 HG SER 42 HG SER 42 -3.211 1.741 -5.560 313 H PHE 43 H PHE 43 -3.787 0.911 -1.318 314 HA PHE 43 HA PHE 43 -2.002 -0.876 0.048 315 HB2 PHE 43 1HB PHE 43 -3.904 1.279 0.863 316 HB3 PHE 43 2HB PHE 43 -3.366 0.127 2.080 317 HD1 PHE 43 2HD PHE 43 -0.592 -0.341 1.372 318 HD2 PHE 43 1HD PHE 43 -2.841 3.273 1.310 319 HE1 PHE 43 2HE PHE 43 1.480 0.950 1.675 320 HE2 PHE 43 1HE PHE 43 -0.772 4.570 1.613 321 HZ PHE 43 HZ PHE 43 1.392 3.408 1.797 322 H CYS 44 H CYS 44 -5.499 -0.619 -0.396 323 HA CYS 44 HA CYS 44 -6.040 -2.923 1.248 324 HB2 CYS 44 1HB CYS 44 -7.752 -1.178 -0.518 325 HB3 CYS 44 2HB CYS 44 -8.387 -2.619 0.268 326 HG CYS 44 HG CYS 44 -7.585 0.370 1.599 327 H ALA 45 H ALA 45 -5.587 -2.239 -2.145 328 HA ALA 45 HA ALA 45 -6.687 -4.629 -3.182 329 HB1 ALA 45 1HB ALA 45 -4.519 -2.902 -4.371 330 HB2 ALA 45 2HB ALA 45 -5.517 -4.076 -5.230 331 HB3 ALA 45 3HB ALA 45 -6.252 -2.627 -4.545 332 H ILE 46 H ILE 46 -3.389 -3.726 -2.237 333 HA ILE 46 HA ILE 46 -2.090 -6.061 -3.055 334 HB ILE 46 HB ILE 46 -1.468 -4.101 -0.858 335 HG12 ILE 46 1HG1 ILE 46 0.027 -4.669 -3.417 336 HG13 ILE 46 2HG1 ILE 46 -1.283 -3.497 -3.326 337 HG21 ILE 46 1HG2 ILE 46 0.213 -6.442 -1.744 338 HG22 ILE 46 2HG2 ILE 46 0.727 -5.166 -0.642 339 HG23 ILE 46 3HG2 ILE 46 -0.575 -6.261 -0.177 340 HD11 ILE 46 1HD1 ILE 46 0.903 -3.234 -1.353 341 HD12 ILE 46 2HD1 ILE 46 1.262 -2.824 -3.031 342 HD13 ILE 46 3HD1 ILE 46 -0.041 -1.995 -2.180 343 H LEU 47 H LEU 47 -3.137 -5.223 0.255 344 HA LEU 47 HA LEU 47 -2.630 -7.697 1.414 345 HB2 LEU 47 1HB LEU 47 -3.135 -5.629 2.654 346 HB3 LEU 47 2HB LEU 47 -4.815 -5.749 2.135 347 HG LEU 47 HG LEU 47 -4.986 -7.894 3.386 348 HD11 LEU 47 1HD1 LEU 47 -2.134 -7.284 3.869 349 HD12 LEU 47 2HD1 LEU 47 -2.956 -8.837 3.722 350 HD13 LEU 47 3HD1 LEU 47 -3.055 -7.927 5.229 351 HD21 LEU 47 1HD2 LEU 47 -5.538 -5.552 4.285 352 HD22 LEU 47 2HD2 LEU 47 -4.060 -5.719 5.232 353 HD23 LEU 47 3HD2 LEU 47 -5.379 -6.872 5.444 354 H HIS 48 H HIS 48 -5.334 -6.617 -0.509 355 HA HIS 48 HA HIS 48 -7.103 -8.743 0.145 356 HB2 HIS 48 1HB HIS 48 -7.762 -6.542 -0.895 357 HB3 HIS 48 2HB HIS 48 -7.076 -7.127 -2.408 358 HD1 HIS 48 1HD HIS 48 -8.298 -9.208 -3.510 359 HD2 HIS 48 2HD HIS 48 -10.302 -7.430 -0.334 360 HE1 HIS 48 1HE HIS 48 -10.660 -10.062 -3.643 361 HE2 HIS 48 2HE HIS 48 -11.874 -8.906 -1.762 362 H HIS 49 H HIS 49 -4.752 -8.232 -2.449 363 HA HIS 49 HA HIS 49 -5.271 -10.343 -4.108 364 HB2 HIS 49 1HB HIS 49 -3.437 -8.577 -4.306 365 HB3 HIS 49 2HB HIS 49 -2.461 -9.624 -3.280 366 HD1 HIS 49 1HD HIS 49 -4.575 -10.261 -6.392 367 HD2 HIS 49 2HD HIS 49 -0.794 -11.036 -4.854 368 HE1 HIS 49 1HE HIS 49 -3.399 -11.620 -8.151 369 HE2 HIS 49 2HE HIS 49 -1.144 -12.149 -7.162 370 H PHE 50 H PHE 50 -3.591 -10.411 -1.008 371 HA PHE 50 HA PHE 50 -3.004 -13.233 -1.221 372 HB2 PHE 50 1HB PHE 50 -2.743 -11.418 1.185 373 HB3 PHE 50 2HB PHE 50 -2.003 -13.002 0.977 374 HD1 PHE 50 1HD PHE 50 -0.149 -13.307 -0.603 375 HD2 PHE 50 2HD PHE 50 -1.800 -9.466 0.199 376 HE1 PHE 50 1HE PHE 50 1.841 -12.249 -1.591 377 HE2 PHE 50 2HE PHE 50 0.187 -8.402 -0.788 378 HZ PHE 50 HZ PHE 50 2.010 -9.793 -1.685 379 H ARG 51 H ARG 51 -5.088 -11.194 0.820 380 HA ARG 51 HA ARG 51 -6.855 -13.510 1.187 381 HB2 ARG 51 1HB ARG 51 -5.295 -12.983 3.191 382 HB3 ARG 51 2HB ARG 51 -6.343 -11.594 3.442 383 HG2 ARG 51 1HG ARG 51 -7.288 -13.157 4.833 384 HG3 ARG 51 2HG ARG 51 -8.251 -13.357 3.368 385 HD2 ARG 51 1HD ARG 51 -7.070 -15.310 2.747 386 HD3 ARG 51 2HD ARG 51 -5.809 -15.014 3.943 387 HE ARG 51 HE ARG 51 -8.301 -15.303 5.232 388 HH11 ARG 51 1HH1 ARG 51 -5.884 -17.159 3.548 389 HH12 ARG 51 2HH1 ARG 51 -6.244 -18.632 4.386 390 HH21 ARG 51 1HH2 ARG 51 -8.784 -17.236 6.342 391 HH22 ARG 51 2HH2 ARG 51 -7.894 -18.675 5.974 392 HA PRO 52 HA PRO 52 -9.506 -10.177 -0.324 393 HB2 PRO 52 1HB PRO 52 -11.520 -11.834 -1.079 394 HB3 PRO 52 2HB PRO 52 -10.079 -11.560 -2.067 395 HG2 PRO 52 1HG PRO 52 -10.710 -13.836 -0.226 396 HG3 PRO 52 2HG PRO 52 -9.984 -13.873 -1.844 397 HD2 PRO 52 1HD PRO 52 -8.511 -14.083 0.418 398 HD3 PRO 52 2HD PRO 52 -7.892 -13.312 -1.056 399 H ASP 53 H ASP 53 -9.598 -12.047 2.387 400 HA ASP 53 HA ASP 53 -12.280 -11.147 3.186 401 HB2 ASP 53 1HB ASP 53 -10.466 -13.263 4.359 402 HB3 ASP 53 2HB ASP 53 -11.996 -12.768 5.078 403 H LEU 54 H LEU 54 -8.876 -10.990 4.022 404 HA LEU 54 HA LEU 54 -8.936 -9.876 6.531 405 HB2 LEU 54 1HB LEU 54 -7.105 -9.664 4.210 406 HB3 LEU 54 2HB LEU 54 -6.898 -8.491 5.509 407 HG LEU 54 HG LEU 54 -6.750 -11.492 5.795 408 HD11 LEU 54 1HD1 LEU 54 -4.337 -10.757 6.458 409 HD12 LEU 54 2HD1 LEU 54 -4.706 -9.344 5.470 410 HD13 LEU 54 3HD1 LEU 54 -4.769 -10.957 4.760 411 HD21 LEU 54 1HD2 LEU 54 -6.997 -9.308 7.725 412 HD22 LEU 54 2HD2 LEU 54 -5.635 -10.386 8.030 413 HD23 LEU 54 3HD2 LEU 54 -7.271 -11.038 7.926 414 H ILE 55 H ILE 55 -9.614 -8.341 3.450 415 HA ILE 55 HA ILE 55 -10.469 -5.935 4.917 416 HB ILE 55 HB ILE 55 -9.548 -5.613 2.112 417 HG12 ILE 55 1HG1 ILE 55 -7.227 -5.081 3.331 418 HG13 ILE 55 2HG1 ILE 55 -7.793 -6.363 4.396 419 HG21 ILE 55 1HG2 ILE 55 -10.206 -3.584 2.859 420 HG22 ILE 55 2HG2 ILE 55 -9.899 -3.985 4.548 421 HG23 ILE 55 3HG2 ILE 55 -8.561 -3.534 3.491 422 HD11 ILE 55 1HD1 ILE 55 -6.935 -7.804 2.954 423 HD12 ILE 55 2HD1 ILE 55 -8.208 -7.335 1.826 424 HD13 ILE 55 3HD1 ILE 55 -6.639 -6.532 1.769 425 H ASP 56 H ASP 56 -11.838 -4.517 3.280 426 HA ASP 56 HA ASP 56 -13.848 -6.330 2.119 427 HB2 ASP 56 1HB ASP 56 -14.089 -3.653 3.469 428 HB3 ASP 56 2HB ASP 56 -15.359 -4.251 2.405 429 H TYR 57 H TYR 57 -11.428 -5.273 0.803 430 HA TYR 57 HA TYR 57 -11.871 -3.149 -0.900 431 HB2 TYR 57 1HB TYR 57 -9.724 -4.379 -0.674 432 HB3 TYR 57 2HB TYR 57 -10.416 -5.707 -1.600 433 HD1 TYR 57 2HD TYR 57 -11.275 -5.134 -3.976 434 HD2 TYR 57 1HD TYR 57 -8.610 -2.656 -1.772 435 HE1 TYR 57 2HE TYR 57 -10.559 -4.055 -6.067 436 HE2 TYR 57 1HE TYR 57 -7.887 -1.569 -3.857 437 HH TYR 57 HH TYR 57 -8.605 -2.811 -6.921 438 H LYS 58 H LYS 58 -13.328 -6.267 -0.916 439 HA LYS 58 HA LYS 58 -14.080 -6.482 -3.610 440 HB2 LYS 58 1HB LYS 58 -15.682 -8.113 -2.886 441 HB3 LYS 58 2HB LYS 58 -14.241 -8.297 -1.895 442 HG2 LYS 58 1HG LYS 58 -15.489 -6.753 -0.231 443 HG3 LYS 58 2HG LYS 58 -16.924 -7.218 -1.148 444 HD2 LYS 58 1HD LYS 58 -15.077 -9.369 -0.249 445 HD3 LYS 58 2HD LYS 58 -16.106 -8.598 0.960 446 HE2 LYS 58 1HE LYS 58 -17.159 -9.724 -1.625 447 HE3 LYS 58 2HE LYS 58 -17.046 -10.668 -0.140 448 HZ1 LYS 58 1HZ LYS 58 -19.243 -9.509 -0.665 449 HZ2 LYS 58 2HZ LYS 58 -18.468 -8.081 -0.196 450 HZ3 LYS 58 3HZ LYS 58 -18.632 -9.355 0.905 451 H SER 59 H SER 59 -15.370 -4.594 -0.988 452 HA SER 59 HA SER 59 -17.382 -3.494 -2.836 453 HB2 SER 59 1HB SER 59 -18.399 -4.969 -1.067 454 HB3 SER 59 2HB SER 59 -17.796 -3.835 0.142 455 HG SER 59 HG SER 59 -19.182 -2.317 -0.566 456 H LEU 60 H LEU 60 -14.686 -2.583 -2.222 457 HA LEU 60 HA LEU 60 -15.097 -0.194 -0.603 458 HB2 LEU 60 1HB LEU 60 -12.720 -1.571 -1.774 459 HB3 LEU 60 2HB LEU 60 -12.602 0.125 -1.309 460 HG LEU 60 HG LEU 60 -13.051 -2.270 0.446 461 HD11 LEU 60 1HD1 LEU 60 -10.758 -1.143 -0.291 462 HD12 LEU 60 2HD1 LEU 60 -11.009 -1.811 1.322 463 HD13 LEU 60 3HD1 LEU 60 -11.159 -0.074 1.054 464 HD21 LEU 60 1HD2 LEU 60 -13.717 0.602 0.961 465 HD22 LEU 60 2HD2 LEU 60 -13.190 -0.447 2.277 466 HD23 LEU 60 3HD2 LEU 60 -14.640 -0.849 1.356 467 H ASN 61 H ASN 61 -13.600 1.709 -1.687 468 HA ASN 61 HA ASN 61 -13.827 2.076 -4.474 469 HB2 ASN 61 1HB ASN 61 -16.087 3.051 -2.777 470 HB3 ASN 61 2HB ASN 61 -15.570 4.036 -4.142 471 HD21 ASN 61 1HD2 ASN 61 -14.928 2.199 -6.015 472 HD22 ASN 61 2HD2 ASN 61 -16.322 1.281 -6.459 473 HA PRO 62 HA PRO 62 -11.074 5.381 -3.606 474 HB2 PRO 62 1HB PRO 62 -11.609 7.125 -5.617 475 HB3 PRO 62 2HB PRO 62 -10.767 5.592 -5.873 476 HG2 PRO 62 1HG PRO 62 -13.646 6.272 -6.333 477 HG3 PRO 62 2HG PRO 62 -12.541 5.333 -7.354 478 HD2 PRO 62 1HD PRO 62 -14.366 4.169 -5.726 479 HD3 PRO 62 2HD PRO 62 -12.797 3.422 -6.090 480 H GLN 63 H GLN 63 -14.304 5.672 -3.069 481 HA GLN 63 HA GLN 63 -14.463 8.516 -2.649 482 HB2 GLN 63 1HB GLN 63 -16.672 7.941 -1.596 483 HB3 GLN 63 2HB GLN 63 -16.489 7.418 -3.265 484 HG2 GLN 63 1HG GLN 63 -17.579 5.736 -1.845 485 HG3 GLN 63 2HG GLN 63 -16.079 5.157 -2.566 486 HE21 GLN 63 1HE2 GLN 63 -15.393 3.699 -1.132 487 HE22 GLN 63 2HE2 GLN 63 -15.087 4.018 0.538 488 H ASP 64 H ASP 64 -13.209 5.909 -0.917 489 HA ASP 64 HA ASP 64 -13.429 7.369 1.631 490 HB2 ASP 64 1HB ASP 64 -13.290 4.468 0.955 491 HB3 ASP 64 2HB ASP 64 -12.556 4.999 2.466 492 H ILE 65 H ILE 65 -11.687 8.522 2.101 493 HA ILE 65 HA ILE 65 -9.080 7.684 1.062 494 HB ILE 65 HB ILE 65 -9.802 10.286 2.412 495 HG12 ILE 65 1HG1 ILE 65 -9.675 9.546 -0.516 496 HG13 ILE 65 2HG1 ILE 65 -11.081 10.116 0.377 497 HG21 ILE 65 1HG2 ILE 65 -7.338 9.231 2.073 498 HG22 ILE 65 2HG2 ILE 65 -7.525 10.114 0.559 499 HG23 ILE 65 3HG2 ILE 65 -7.677 10.961 2.099 500 HD11 ILE 65 1HD1 ILE 65 -8.664 11.845 0.217 501 HD12 ILE 65 2HD1 ILE 65 -9.748 11.729 -1.170 502 HD13 ILE 65 3HD1 ILE 65 -10.362 12.290 0.385 503 H LYS 66 H LYS 66 -10.616 8.702 4.100 504 HA LYS 66 HA LYS 66 -8.311 8.115 5.689 505 HB2 LYS 66 1HB LYS 66 -10.008 9.796 6.343 506 HB3 LYS 66 2HB LYS 66 -11.184 8.504 6.548 507 HG2 LYS 66 1HG LYS 66 -9.734 7.522 8.297 508 HG3 LYS 66 2HG LYS 66 -8.660 8.914 8.137 509 HD2 LYS 66 1HD LYS 66 -11.591 9.149 8.792 510 HD3 LYS 66 2HD LYS 66 -10.328 9.040 10.020 511 HE2 LYS 66 1HE LYS 66 -9.302 11.065 9.203 512 HE3 LYS 66 2HE LYS 66 -10.441 11.142 7.860 513 HZ1 LYS 66 1HZ LYS 66 -10.732 12.319 10.318 514 HZ2 LYS 66 2HZ LYS 66 -11.784 10.996 10.367 515 HZ3 LYS 66 3HZ LYS 66 -11.932 12.148 9.137 516 H GLU 67 H GLU 67 -11.488 6.544 5.312 517 HA GLU 67 HA GLU 67 -11.033 4.364 6.979 518 HB2 GLU 67 1HB GLU 67 -13.204 5.099 5.825 519 HB3 GLU 67 2HB GLU 67 -12.636 4.181 4.437 520 HG2 GLU 67 1HG GLU 67 -13.886 2.582 5.438 521 HG3 GLU 67 2HG GLU 67 -12.354 2.288 6.260 522 H ASN 68 H ASN 68 -10.955 4.221 3.415 523 HA ASN 68 HA ASN 68 -9.930 1.814 2.926 524 HB2 ASN 68 1HB ASN 68 -9.362 4.460 1.669 525 HB3 ASN 68 2HB ASN 68 -8.397 3.078 1.161 526 HD21 ASN 68 1HD2 ASN 68 -9.546 3.773 -0.880 527 HD22 ASN 68 2HD2 ASN 68 -11.051 2.994 -1.220 528 H ASN 69 H ASN 69 -7.959 4.575 3.975 529 HA ASN 69 HA ASN 69 -5.503 3.159 4.001 530 HB2 ASN 69 1HB ASN 69 -6.469 5.778 5.050 531 HB3 ASN 69 2HB ASN 69 -4.964 5.136 5.700 532 HD21 ASN 69 1HD2 ASN 69 -6.600 5.751 2.621 533 HD22 ASN 69 2HD2 ASN 69 -5.177 6.223 1.762 534 H LYS 70 H LYS 70 -7.863 3.945 6.528 535 HA LYS 70 HA LYS 70 -6.454 2.855 8.695 536 HB2 LYS 70 1HB LYS 70 -8.383 4.324 8.990 537 HB3 LYS 70 2HB LYS 70 -9.438 3.111 8.278 538 HG2 LYS 70 1HG LYS 70 -9.418 1.793 10.143 539 HG3 LYS 70 2HG LYS 70 -7.830 2.363 10.664 540 HD2 LYS 70 1HD LYS 70 -9.275 3.339 12.204 541 HD3 LYS 70 2HD LYS 70 -9.014 4.629 11.027 542 HE2 LYS 70 1HE LYS 70 -11.343 4.571 11.486 543 HE3 LYS 70 2HE LYS 70 -11.120 3.869 9.885 544 HZ1 LYS 70 1HZ LYS 70 -11.912 2.573 12.389 545 HZ2 LYS 70 2HZ LYS 70 -11.021 1.667 11.272 546 HZ3 LYS 70 3HZ LYS 70 -12.505 2.343 10.821 547 H LYS 71 H LYS 71 -8.587 1.390 6.319 548 HA LYS 71 HA LYS 71 -9.013 -1.080 7.552 549 HB2 LYS 71 1HB LYS 71 -8.933 -0.218 4.672 550 HB3 LYS 71 2HB LYS 71 -9.216 -1.897 5.109 551 HG2 LYS 71 1HG LYS 71 -11.078 -0.896 6.632 552 HG3 LYS 71 2HG LYS 71 -10.943 0.492 5.549 553 HD2 LYS 71 1HD LYS 71 -11.741 -0.669 3.740 554 HD3 LYS 71 2HD LYS 71 -11.169 -2.224 4.350 555 HE2 LYS 71 1HE LYS 71 -13.300 -0.816 5.871 556 HE3 LYS 71 2HE LYS 71 -13.739 -1.578 4.343 557 HZ1 LYS 71 1HZ LYS 71 -12.152 -3.347 5.857 558 HZ2 LYS 71 2HZ LYS 71 -13.749 -3.542 5.334 559 HZ3 LYS 71 3HZ LYS 71 -13.430 -2.797 6.819 560 H ALA 72 H ALA 72 -6.512 -0.155 5.189 561 HA ALA 72 HA ALA 72 -5.160 -2.578 5.072 562 HB1 ALA 72 1HB ALA 72 -4.243 -1.284 3.494 563 HB2 ALA 72 2HB ALA 72 -4.575 0.202 4.385 564 HB3 ALA 72 3HB ALA 72 -3.146 -0.757 4.772 565 H TYR 73 H TYR 73 -3.821 0.238 6.785 566 HA TYR 73 HA TYR 73 -1.901 -0.855 8.271 567 HB2 TYR 73 1HB TYR 73 -3.900 0.962 9.609 568 HB3 TYR 73 2HB TYR 73 -2.164 0.864 9.884 569 HD1 TYR 73 1HD TYR 73 -1.194 0.888 7.064 570 HD2 TYR 73 2HD TYR 73 -4.201 3.201 8.990 571 HE1 TYR 73 1HE TYR 73 -0.833 2.700 5.440 572 HE2 TYR 73 2HE TYR 73 -3.849 5.019 7.371 573 HH TYR 73 HH TYR 73 -2.037 5.819 5.868 574 H ASP 74 H ASP 74 -5.315 -0.873 9.284 575 HA ASP 74 HA ASP 74 -5.108 -2.227 11.662 576 HB2 ASP 74 1HB ASP 74 -7.227 -1.341 10.926 577 HB3 ASP 74 2HB ASP 74 -7.260 -2.439 9.549 578 H GLY 75 H GLY 75 -5.345 -3.633 8.406 579 HA2 GLY 75 1HA GLY 75 -5.132 -6.329 9.402 580 HA3 GLY 75 2HA GLY 75 -5.136 -5.835 7.716 581 H PHE 76 H PHE 76 -3.012 -4.258 7.419 582 HA PHE 76 HA PHE 76 -0.865 -5.953 7.155 583 HB2 PHE 76 1HB PHE 76 -0.975 -2.953 7.430 584 HB3 PHE 76 2HB PHE 76 0.531 -3.808 7.111 585 HD1 PHE 76 1HD PHE 76 -0.165 -5.835 5.210 586 HD2 PHE 76 2HD PHE 76 -1.612 -1.845 5.523 587 HE1 PHE 76 1HE PHE 76 -0.675 -5.835 2.803 588 HE2 PHE 76 2HE PHE 76 -2.125 -1.838 3.117 589 HZ PHE 76 HZ PHE 76 -1.657 -3.835 1.754 590 H ALA 77 H ALA 77 -1.252 -3.493 9.709 591 HA ALA 77 HA ALA 77 0.998 -4.291 11.202 592 HB1 ALA 77 1HB ALA 77 -1.052 -3.151 12.873 593 HB2 ALA 77 2HB ALA 77 0.502 -2.475 12.381 594 HB3 ALA 77 3HB ALA 77 -0.916 -2.265 11.354 595 H SER 78 H SER 78 -1.967 -5.821 10.746 596 HA SER 78 HA SER 78 -2.338 -7.002 13.300 597 HB2 SER 78 1HB SER 78 -3.968 -6.817 11.249 598 HB3 SER 78 2HB SER 78 -3.240 -8.353 10.781 599 HG SER 78 HG SER 78 -5.214 -8.213 12.296 600 H ILE 79 H ILE 79 -0.579 -7.962 10.403 601 HA ILE 79 HA ILE 79 0.141 -10.537 11.495 602 HB ILE 79 HB ILE 79 1.690 -10.572 9.448 603 HG12 ILE 79 1HG1 ILE 79 -0.072 -8.295 8.549 604 HG13 ILE 79 2HG1 ILE 79 1.535 -8.030 9.216 605 HG21 ILE 79 1HG2 ILE 79 -0.874 -11.342 9.816 606 HG22 ILE 79 2HG2 ILE 79 -1.053 -10.263 8.434 607 HG23 ILE 79 3HG2 ILE 79 0.045 -11.639 8.340 608 HD11 ILE 79 1HD1 ILE 79 0.871 -8.521 6.566 609 HD12 ILE 79 2HD1 ILE 79 2.486 -8.503 7.276 610 HD13 ILE 79 3HD1 ILE 79 1.599 -10.021 7.139 611 H GLY 80 H GLY 80 1.443 -7.336 11.444 612 HA2 GLY 80 1HA GLY 80 3.130 -7.144 13.357 613 HA3 GLY 80 2HA GLY 80 4.031 -8.340 12.438 614 H ILE 81 H ILE 81 2.208 -5.767 10.924 615 HA ILE 81 HA ILE 81 4.742 -4.649 9.940 616 HB ILE 81 HB ILE 81 1.958 -4.382 8.800 617 HG12 ILE 81 1HG1 ILE 81 4.348 -5.848 7.672 618 HG13 ILE 81 2HG1 ILE 81 3.070 -6.634 8.593 619 HG21 ILE 81 1HG2 ILE 81 3.689 -3.615 6.838 620 HG22 ILE 81 2HG2 ILE 81 2.799 -2.516 7.890 621 HG23 ILE 81 3HG2 ILE 81 4.461 -2.959 8.281 622 HD11 ILE 81 1HD1 ILE 81 2.992 -6.679 6.017 623 HD12 ILE 81 2HD1 ILE 81 1.511 -6.342 6.915 624 HD13 ILE 81 3HD1 ILE 81 2.410 -5.021 6.169 625 H SER 82 H SER 82 5.298 -3.158 11.465 626 HA SER 82 HA SER 82 3.665 -1.513 12.950 627 HB2 SER 82 1HB SER 82 6.490 -1.325 12.013 628 HB3 SER 82 2HB SER 82 5.762 0.114 12.726 629 HG SER 82 HG SER 82 6.832 -1.823 14.033 630 H ARG 83 H ARG 83 2.251 0.002 12.419 631 HA ARG 83 HA ARG 83 2.134 1.054 9.745 632 HB2 ARG 83 1HB ARG 83 0.124 2.227 10.527 633 HB3 ARG 83 2HB ARG 83 0.079 0.520 10.946 634 HG2 ARG 83 1HG ARG 83 1.015 1.272 13.221 635 HG3 ARG 83 2HG ARG 83 0.493 2.885 12.730 636 HD2 ARG 83 1HD ARG 83 -1.783 1.997 12.367 637 HD3 ARG 83 2HD ARG 83 -1.239 0.426 12.954 638 HE ARG 83 HE ARG 83 -1.381 1.220 15.094 639 HH11 ARG 83 1HH1 ARG 83 -1.396 3.909 12.882 640 HH12 ARG 83 2HH1 ARG 83 -1.744 5.083 14.107 641 HH21 ARG 83 1HH2 ARG 83 -1.839 2.757 16.716 642 HH22 ARG 83 2HH2 ARG 83 -1.995 4.427 16.287 643 H LEU 84 H LEU 84 3.032 2.869 9.027 644 HA LEU 84 HA LEU 84 4.151 4.744 10.994 645 HB2 LEU 84 1HB LEU 84 4.830 4.476 8.071 646 HB3 LEU 84 2HB LEU 84 5.669 5.462 9.266 647 HG LEU 84 HG LEU 84 5.585 2.446 9.224 648 HD11 LEU 84 1HD1 LEU 84 7.086 2.765 7.579 649 HD12 LEU 84 2HD1 LEU 84 8.175 3.125 8.918 650 HD13 LEU 84 3HD1 LEU 84 7.395 4.439 8.038 651 HD21 LEU 84 1HD2 LEU 84 5.771 3.674 11.468 652 HD22 LEU 84 2HD2 LEU 84 7.366 4.176 10.908 653 HD23 LEU 84 3HD2 LEU 84 6.993 2.461 11.087 654 H LEU 85 H LEU 85 2.594 4.751 7.785 655 HA LEU 85 HA LEU 85 1.955 7.533 7.918 656 HB2 LEU 85 1HB LEU 85 2.302 6.156 5.827 657 HB3 LEU 85 2HB LEU 85 0.702 5.476 6.115 658 HG LEU 85 HG LEU 85 -0.250 7.759 5.927 659 HD11 LEU 85 1HD1 LEU 85 2.562 8.490 5.125 660 HD12 LEU 85 2HD1 LEU 85 1.697 9.054 6.554 661 HD13 LEU 85 3HD1 LEU 85 1.146 9.527 4.947 662 HD21 LEU 85 1HD2 LEU 85 -0.529 6.615 3.963 663 HD22 LEU 85 2HD2 LEU 85 1.204 6.410 3.705 664 HD23 LEU 85 3HD2 LEU 85 0.446 7.974 3.402 665 H GLU 86 H GLU 86 -0.193 8.435 7.946 666 HA GLU 86 HA GLU 86 -2.066 6.820 9.548 667 HB2 GLU 86 1HB GLU 86 -1.635 9.812 9.537 668 HB3 GLU 86 2HB GLU 86 -2.905 8.992 10.433 669 HG2 GLU 86 1HG GLU 86 -1.077 7.698 11.595 670 HG3 GLU 86 2HG GLU 86 0.061 8.825 10.859 671 HA PRO 87 HA PRO 87 -4.996 7.173 6.283 672 HB2 PRO 87 1HB PRO 87 -7.272 6.765 7.706 673 HB3 PRO 87 2HB PRO 87 -6.133 5.469 7.323 674 HG2 PRO 87 1HG PRO 87 -6.434 7.039 9.854 675 HG3 PRO 87 2HG PRO 87 -6.177 5.297 9.642 676 HD2 PRO 87 1HD PRO 87 -4.173 6.997 10.294 677 HD3 PRO 87 2HD PRO 87 -3.911 5.545 9.306 678 H SER 88 H SER 88 -5.807 8.896 9.294 679 HA SER 88 HA SER 88 -7.610 10.715 8.106 680 HB2 SER 88 1HB SER 88 -5.985 10.998 10.645 681 HB3 SER 88 2HB SER 88 -7.354 12.014 10.194 682 HG SER 88 HG SER 88 -7.344 9.574 11.351 683 H ASP 89 H ASP 89 -4.150 10.902 8.811 684 HA ASP 89 HA ASP 89 -3.622 13.539 8.265 685 HB2 ASP 89 1HB ASP 89 -2.065 11.018 7.929 686 HB3 ASP 89 2HB ASP 89 -1.418 12.490 7.210 687 H MET 90 H MET 90 -3.952 10.883 5.939 688 HA MET 90 HA MET 90 -3.252 12.196 3.612 689 HB2 MET 90 1HB MET 90 -5.476 10.172 3.929 690 HB3 MET 90 2HB MET 90 -4.645 10.571 2.432 691 HG2 MET 90 1HG MET 90 -3.153 9.527 4.807 692 HG3 MET 90 2HG MET 90 -3.963 8.444 3.678 693 HE1 MET 90 1HE MET 90 -1.208 7.714 1.379 694 HE2 MET 90 2HE MET 90 -2.155 7.127 2.745 695 HE3 MET 90 3HE MET 90 -2.970 7.772 1.319 696 H VAL 91 H VAL 91 -6.363 12.183 5.296 697 HA VAL 91 HA VAL 91 -7.730 13.725 3.327 698 HB VAL 91 HB VAL 91 -8.472 13.450 6.239 699 HG11 VAL 91 1HG1 VAL 91 -10.586 14.154 5.666 700 HG12 VAL 91 2HG1 VAL 91 -9.596 15.128 4.577 701 HG13 VAL 91 3HG1 VAL 91 -10.404 13.679 3.977 702 HG21 VAL 91 1HG2 VAL 91 -8.197 11.230 5.478 703 HG22 VAL 91 2HG2 VAL 91 -9.927 11.559 5.387 704 HG23 VAL 91 3HG2 VAL 91 -8.945 11.590 3.922 705 H LEU 92 H LEU 92 -6.369 14.520 6.520 706 HA LEU 92 HA LEU 92 -7.008 17.138 6.790 707 HB2 LEU 92 1HB LEU 92 -4.246 16.034 7.275 708 HB3 LEU 92 2HB LEU 92 -4.962 17.452 8.038 709 HG LEU 92 HG LEU 92 -5.815 14.585 8.437 710 HD11 LEU 92 1HD1 LEU 92 -4.515 14.520 10.250 711 HD12 LEU 92 2HD1 LEU 92 -4.948 16.160 10.733 712 HD13 LEU 92 3HD1 LEU 92 -3.678 15.900 9.539 713 HD21 LEU 92 1HD2 LEU 92 -7.308 15.504 10.159 714 HD22 LEU 92 2HD2 LEU 92 -7.730 16.071 8.543 715 HD23 LEU 92 3HD2 LEU 92 -6.869 17.136 9.655 716 H LEU 93 H LEU 93 -3.897 16.187 5.324 717 HA LEU 93 HA LEU 93 -3.714 18.749 3.991 718 HB2 LEU 93 1HB LEU 93 -1.537 17.905 3.196 719 HB3 LEU 93 2HB LEU 93 -1.710 17.849 4.949 720 HG LEU 93 HG LEU 93 -2.225 15.403 4.726 721 HD11 LEU 93 1HD1 LEU 93 -1.348 14.382 2.573 722 HD12 LEU 93 2HD1 LEU 93 -1.490 15.995 1.874 723 HD13 LEU 93 3HD1 LEU 93 -2.922 15.174 2.493 724 HD21 LEU 93 1HD2 LEU 93 0.468 16.104 3.589 725 HD22 LEU 93 2HD2 LEU 93 0.042 14.769 4.660 726 HD23 LEU 93 3HD2 LEU 93 0.036 16.425 5.269 727 H ALA 94 H ALA 94 -2.613 18.375 1.621 728 HA ALA 94 HA ALA 94 -4.767 17.161 0.072 729 HB1 ALA 94 1HB ALA 94 -4.472 18.920 -1.244 730 HB2 ALA 94 2HB ALA 94 -3.115 19.449 -0.248 731 HB3 ALA 94 3HB ALA 94 -2.837 18.371 -1.616 732 H ILE 95 H ILE 95 -1.234 17.336 -0.393 733 HA ILE 95 HA ILE 95 -1.326 14.558 -1.367 734 HB ILE 95 HB ILE 95 0.750 16.665 -1.977 735 HG12 ILE 95 1HG1 ILE 95 -1.488 17.125 -2.977 736 HG13 ILE 95 2HG1 ILE 95 -0.240 16.813 -4.179 737 HG21 ILE 95 1HG2 ILE 95 0.335 13.929 -3.176 738 HG22 ILE 95 2HG2 ILE 95 1.590 15.087 -3.614 739 HG23 ILE 95 3HG2 ILE 95 1.589 14.352 -2.011 740 HD11 ILE 95 1HD1 ILE 95 -2.391 15.738 -4.699 741 HD12 ILE 95 2HD1 ILE 95 -1.069 14.583 -4.522 742 HD13 ILE 95 3HD1 ILE 95 -2.244 14.785 -3.222 743 HA PRO 96 HA PRO 96 1.029 13.475 2.227 744 HB2 PRO 96 1HB PRO 96 1.650 10.946 1.459 745 HB3 PRO 96 2HB PRO 96 0.047 11.405 2.045 746 HG2 PRO 96 1HG PRO 96 1.006 11.053 -0.769 747 HG3 PRO 96 2HG PRO 96 -0.518 10.524 -0.031 748 HD2 PRO 96 1HD PRO 96 -0.337 12.746 -1.568 749 HD3 PRO 96 2HD PRO 96 -1.476 12.612 -0.213 750 H ASP 97 H ASP 97 3.205 12.261 2.592 751 HA ASP 97 HA ASP 97 5.176 13.561 0.872 752 HB2 ASP 97 1HB ASP 97 5.154 12.545 3.670 753 HB3 ASP 97 2HB ASP 97 6.693 12.526 2.813 754 H LYS 98 H LYS 98 5.616 12.355 -0.878 755 HA LYS 98 HA LYS 98 5.401 9.690 -1.311 756 HB2 LYS 98 1HB LYS 98 6.133 11.458 -2.960 757 HB3 LYS 98 2HB LYS 98 7.757 11.296 -2.306 758 HG2 LYS 98 1HG LYS 98 7.540 8.812 -2.874 759 HG3 LYS 98 2HG LYS 98 6.153 9.294 -3.854 760 HD2 LYS 98 1HD LYS 98 7.870 9.372 -5.396 761 HD3 LYS 98 2HD LYS 98 7.813 11.047 -4.841 762 HE2 LYS 98 1HE LYS 98 9.584 9.134 -3.405 763 HE3 LYS 98 2HE LYS 98 10.088 9.709 -4.993 764 HZ1 LYS 98 1HZ LYS 98 9.523 12.015 -3.982 765 HZ2 LYS 98 2HZ LYS 98 11.000 11.277 -3.615 766 HZ3 LYS 98 3HZ LYS 98 9.728 11.223 -2.501 767 H LEU 99 H LEU 99 8.193 11.315 0.156 768 HA LEU 99 HA LEU 99 9.903 9.154 0.406 769 HB2 LEU 99 1HB LEU 99 9.495 11.452 2.313 770 HB3 LEU 99 2HB LEU 99 10.876 10.357 2.333 771 HG LEU 99 HG LEU 99 10.204 12.084 -0.040 772 HD11 LEU 99 1HD1 LEU 99 12.455 12.922 1.608 773 HD12 LEU 99 2HD1 LEU 99 10.898 13.081 2.419 774 HD13 LEU 99 3HD1 LEU 99 11.170 13.877 0.870 775 HD21 LEU 99 1HD2 LEU 99 11.670 10.115 -0.380 776 HD22 LEU 99 2HD2 LEU 99 12.782 10.776 0.819 777 HD23 LEU 99 3HD2 LEU 99 12.482 11.651 -0.683 778 H THR 100 H THR 100 7.520 10.312 2.789 779 HA THR 100 HA THR 100 7.923 8.310 4.694 780 HB THR 100 HB THR 100 5.338 9.761 4.093 781 HG1 THR 100 1HG THR 100 6.104 11.349 5.383 782 HG21 THR 100 1HG2 THR 100 6.300 8.352 6.586 783 HG22 THR 100 2HG2 THR 100 4.989 7.829 5.529 784 HG23 THR 100 3HG2 THR 100 4.829 9.315 6.464 785 H VAL 101 H VAL 101 5.099 8.513 2.523 786 HA VAL 101 HA VAL 101 3.974 6.093 2.876 787 HB VAL 101 HB VAL 101 4.411 7.391 0.182 788 HG11 VAL 101 1HG1 VAL 101 2.994 5.914 -0.762 789 HG12 VAL 101 2HG1 VAL 101 3.511 4.876 0.568 790 HG13 VAL 101 3HG1 VAL 101 2.001 5.778 0.688 791 HG21 VAL 101 1HG2 VAL 101 3.348 8.913 1.723 792 HG22 VAL 101 2HG2 VAL 101 2.152 8.331 0.565 793 HG23 VAL 101 3HG2 VAL 101 2.188 7.674 2.201 794 H MET 102 H MET 102 6.425 6.632 0.333 795 HA MET 102 HA MET 102 6.812 4.069 -0.506 796 HB2 MET 102 1HB MET 102 8.767 6.331 -0.170 797 HB3 MET 102 2HB MET 102 9.265 4.787 -0.848 798 HG2 MET 102 1HG MET 102 7.411 5.073 -2.535 799 HG3 MET 102 2HG MET 102 7.256 6.727 -1.946 800 HE1 MET 102 1HE MET 102 10.219 4.224 -3.140 801 HE2 MET 102 2HE MET 102 8.861 4.337 -4.259 802 HE3 MET 102 3HE MET 102 10.430 5.009 -4.705 803 H THR 103 H THR 103 8.313 5.607 2.314 804 HA THR 103 HA THR 103 10.006 3.530 3.074 805 HB THR 103 HB THR 103 8.553 5.432 4.922 806 HG1 THR 103 1HG THR 103 10.394 6.744 4.628 807 HG21 THR 103 1HG2 THR 103 10.249 4.992 6.516 808 HG22 THR 103 2HG2 THR 103 11.227 4.112 5.341 809 HG23 THR 103 3HG2 THR 103 9.718 3.415 5.931 810 H TYR 104 H TYR 104 6.607 4.105 3.885 811 HA TYR 104 HA TYR 104 6.362 1.918 5.672 812 HB2 TYR 104 1HB TYR 104 4.792 3.811 5.671 813 HB3 TYR 104 2HB TYR 104 4.221 3.339 4.074 814 HD1 TYR 104 2HD TYR 104 4.871 1.428 7.223 815 HD2 TYR 104 1HD TYR 104 2.071 2.521 4.213 816 HE1 TYR 104 2HE TYR 104 3.191 -0.037 8.262 817 HE2 TYR 104 1HE TYR 104 0.382 1.060 5.244 818 HH TYR 104 HH TYR 104 0.408 0.019 8.195 819 H LEU 105 H LEU 105 5.435 2.326 2.261 820 HA LEU 105 HA LEU 105 4.309 -0.125 1.758 821 HB2 LEU 105 1HB LEU 105 5.842 1.821 0.125 822 HB3 LEU 105 2HB LEU 105 5.568 0.221 -0.561 823 HG LEU 105 HG LEU 105 3.291 1.878 0.476 824 HD11 LEU 105 1HD1 LEU 105 3.946 3.411 -1.060 825 HD12 LEU 105 2HD1 LEU 105 3.100 2.307 -2.144 826 HD13 LEU 105 3HD1 LEU 105 4.857 2.237 -2.011 827 HD21 LEU 105 1HD2 LEU 105 3.117 0.054 -1.852 828 HD22 LEU 105 2HD2 LEU 105 1.948 0.376 -0.571 829 HD23 LEU 105 3HD2 LEU 105 3.327 -0.681 -0.262 830 H TYR 106 H TYR 106 7.756 0.689 1.328 831 HA TYR 106 HA TYR 106 8.808 -1.665 0.535 832 HB2 TYR 106 1HB TYR 106 9.841 0.379 2.473 833 HB3 TYR 106 2HB TYR 106 10.782 -1.069 2.135 834 HD1 TYR 106 2HD TYR 106 10.550 -1.521 -0.668 835 HD2 TYR 106 1HD TYR 106 10.765 2.194 1.394 836 HE1 TYR 106 2HE TYR 106 11.464 -0.459 -2.689 837 HE2 TYR 106 1HE TYR 106 11.678 3.267 -0.622 838 HH TYR 106 HH TYR 106 12.328 1.394 -3.565 839 H GLN 107 H GLN 107 7.886 -0.859 3.858 840 HA GLN 107 HA GLN 107 8.826 -3.124 5.154 841 HB2 GLN 107 1HB GLN 107 6.298 -1.573 5.744 842 HB3 GLN 107 2HB GLN 107 7.103 -2.674 6.855 843 HG2 GLN 107 1HG GLN 107 8.534 -0.309 5.707 844 HG3 GLN 107 2HG GLN 107 7.494 -0.157 7.123 845 HE21 GLN 107 1HE2 GLN 107 10.152 0.458 7.271 846 HE22 GLN 107 2HE2 GLN 107 10.969 -0.712 8.243 847 H ILE 108 H ILE 108 5.531 -2.596 3.890 848 HA ILE 108 HA ILE 108 4.491 -5.103 4.403 849 HB ILE 108 HB ILE 108 3.904 -3.255 2.090 850 HG12 ILE 108 1HG1 ILE 108 1.753 -3.059 3.630 851 HG13 ILE 108 2HG1 ILE 108 2.883 -3.569 4.880 852 HG21 ILE 108 1HG2 ILE 108 3.047 -5.956 2.543 853 HG22 ILE 108 2HG2 ILE 108 1.670 -4.858 2.627 854 HG23 ILE 108 3HG2 ILE 108 2.692 -4.883 1.190 855 HD11 ILE 108 1HD1 ILE 108 3.938 -1.431 3.224 856 HD12 ILE 108 2HD1 ILE 108 2.440 -0.994 4.047 857 HD13 ILE 108 3HD1 ILE 108 3.825 -1.561 4.979 858 H ARG 109 H ARG 109 5.898 -4.018 1.306 859 HA ARG 109 HA ARG 109 5.814 -6.396 -0.069 860 HB2 ARG 109 1HB ARG 109 6.486 -4.402 -1.202 861 HB3 ARG 109 2HB ARG 109 7.872 -4.192 -0.141 862 HG2 ARG 109 1HG ARG 109 8.535 -6.551 -1.128 863 HG3 ARG 109 2HG ARG 109 7.510 -6.007 -2.457 864 HD2 ARG 109 1HD ARG 109 8.887 -4.203 -2.947 865 HD3 ARG 109 2HD ARG 109 9.626 -4.209 -1.346 866 HE ARG 109 HE ARG 109 11.194 -5.656 -2.144 867 HH11 ARG 109 1HH1 ARG 109 8.398 -5.804 -4.212 868 HH12 ARG 109 2HH1 ARG 109 9.139 -6.871 -5.357 869 HH21 ARG 109 1HH2 ARG 109 12.182 -7.061 -3.644 870 HH22 ARG 109 2HH2 ARG 109 11.292 -7.587 -5.033 871 H ALA 110 H ALA 110 8.222 -5.316 2.276 872 HA ALA 110 HA ALA 110 10.014 -7.480 1.914 873 HB1 ALA 110 1HB ALA 110 10.128 -6.459 4.588 874 HB2 ALA 110 2HB ALA 110 11.278 -6.256 3.266 875 HB3 ALA 110 3HB ALA 110 9.934 -5.128 3.448 876 H HIS 111 H HIS 111 7.387 -6.895 4.229 877 HA HIS 111 HA HIS 111 7.649 -9.040 5.905 878 HB2 HIS 111 1HB HIS 111 5.843 -7.162 5.809 879 HB3 HIS 111 2HB HIS 111 4.930 -8.325 4.852 880 HD1 HIS 111 1HD HIS 111 5.892 -7.493 8.308 881 HD2 HIS 111 2HD HIS 111 4.199 -10.703 6.285 882 HE1 HIS 111 1HE HIS 111 4.894 -8.960 10.090 883 HE2 HIS 111 2HE HIS 111 3.950 -10.938 8.849 884 H PHE 112 H PHE 112 5.979 -9.013 2.766 885 HA PHE 112 HA PHE 112 5.577 -11.883 2.879 886 HB2 PHE 112 1HB PHE 112 4.863 -9.791 0.822 887 HB3 PHE 112 2HB PHE 112 4.553 -11.509 0.593 888 HD1 PHE 112 2HD PHE 112 3.736 -8.577 2.680 889 HD2 PHE 112 1HD PHE 112 2.705 -12.564 1.605 890 HE1 PHE 112 2HE PHE 112 1.603 -8.347 3.886 891 HE2 PHE 112 1HE PHE 112 0.570 -12.340 2.808 892 HZ PHE 112 HZ PHE 112 0.017 -10.230 3.951 893 H SER 113 H SER 113 7.093 -9.670 0.525 894 HA SER 113 HA SER 113 8.463 -11.714 -0.861 895 HB2 SER 113 1HB SER 113 7.938 -9.411 -1.748 896 HB3 SER 113 2HB SER 113 9.249 -8.796 -0.742 897 HG SER 113 HG SER 113 9.368 -10.490 -2.985 898 H SER 114 H SER 114 10.972 -11.474 -1.128 899 HA SER 114 HA SER 114 12.121 -11.598 1.580 900 HB2 SER 114 1HB SER 114 12.981 -13.029 -0.946 901 HB3 SER 114 2HB SER 114 13.810 -13.135 0.607 902 HG SER 114 HG SER 114 11.091 -13.837 0.199 903 H GLY 115 H GLY 115 13.840 -10.362 2.091 904 HA2 GLY 115 1HA GLY 115 15.088 -8.812 -0.094 905 HA3 GLY 115 2HA GLY 115 14.647 -8.073 1.438 906 HA PRO 116 HA PRO 116 19.107 -9.317 1.659 907 HB2 PRO 116 1HB PRO 116 19.950 -6.968 2.729 908 HB3 PRO 116 2HB PRO 116 19.797 -7.231 0.987 909 HG2 PRO 116 1HG PRO 116 17.916 -5.859 2.870 910 HG3 PRO 116 2HG PRO 116 18.421 -5.373 1.240 911 HD2 PRO 116 1HD PRO 116 16.050 -6.587 1.730 912 HD3 PRO 116 2HD PRO 116 16.948 -6.821 0.216 913 H SER 117 H SER 117 20.075 -10.152 3.441 914 HA SER 117 HA SER 117 18.986 -9.431 6.077 915 HB2 SER 117 1HB SER 117 18.985 -11.768 6.753 916 HB3 SER 117 2HB SER 117 17.999 -11.579 5.304 917 HG SER 117 HG SER 117 19.849 -12.291 4.100 918 H SER 118 H SER 118 20.443 -9.279 7.715 919 HA SER 118 HA SER 118 23.098 -8.737 7.195 920 HB2 SER 118 1HB SER 118 21.786 -9.654 9.761 921 HB3 SER 118 2HB SER 118 23.448 -9.072 9.672 922 HG SER 118 HG SER 118 21.091 -7.635 9.014 923 H GLY 119 H GLY 119 24.655 -10.011 6.457 924 HA2 GLY 119 1HA GLY 119 24.626 -12.857 7.247 925 HA3 GLY 119 2HA GLY 119 25.258 -12.264 5.718 Start of MODEL 18 1 H1 GLY 1 H GLY 1 12.242 -20.482 -16.125 2 HA2 GLY 1 1HA GLY 1 14.003 -18.544 -15.576 3 HA3 GLY 1 2HA GLY 1 14.559 -19.064 -17.160 4 H SER 2 H SER 2 12.011 -17.485 -15.381 5 HA SER 2 HA SER 2 10.748 -16.694 -17.921 6 HB2 SER 2 1HB SER 2 9.630 -16.823 -15.114 7 HB3 SER 2 2HB SER 2 8.776 -16.088 -16.470 8 HG SER 2 HG SER 2 8.383 -18.009 -17.284 9 H SER 3 H SER 3 10.472 -14.563 -18.420 10 HA SER 3 HA SER 3 12.279 -12.686 -17.440 11 HB2 SER 3 1HB SER 3 9.706 -12.352 -18.984 12 HB3 SER 3 2HB SER 3 10.773 -10.999 -18.609 13 HG SER 3 HG SER 3 12.310 -11.830 -19.902 14 H GLY 4 H GLY 4 11.698 -10.543 -16.458 15 HA2 GLY 4 1HA GLY 4 9.680 -9.617 -15.089 16 HA3 GLY 4 2HA GLY 4 10.012 -11.037 -14.107 17 H SER 5 H SER 5 10.926 -10.374 -12.280 18 HA SER 5 HA SER 5 13.419 -8.901 -12.409 19 HB2 SER 5 1HB SER 5 11.393 -7.263 -12.217 20 HB3 SER 5 2HB SER 5 11.334 -7.812 -10.542 21 HG SER 5 HG SER 5 13.415 -6.455 -11.884 22 H SER 6 H SER 6 14.775 -9.953 -11.135 23 HA SER 6 HA SER 6 13.697 -11.390 -8.803 24 HB2 SER 6 1HB SER 6 14.718 -12.926 -10.340 25 HB3 SER 6 2HB SER 6 16.151 -11.910 -10.492 26 HG SER 6 HG SER 6 16.438 -13.709 -9.064 27 H GLY 7 H GLY 7 14.792 -11.293 -6.816 28 HA2 GLY 7 1HA GLY 7 15.975 -10.279 -5.131 29 HA3 GLY 7 2HA GLY 7 17.174 -9.875 -6.350 30 HA PRO 8 HA PRO 8 14.962 -6.034 -4.723 31 HB2 PRO 8 1HB PRO 8 17.119 -4.894 -3.533 32 HB3 PRO 8 2HB PRO 8 16.028 -5.999 -2.689 33 HG2 PRO 8 1HG PRO 8 18.696 -6.552 -3.930 34 HG3 PRO 8 2HG PRO 8 18.049 -7.106 -2.375 35 HD2 PRO 8 1HD PRO 8 18.090 -8.678 -4.579 36 HD3 PRO 8 2HD PRO 8 16.819 -8.796 -3.346 37 H ASN 9 H ASN 9 15.018 -4.096 -5.789 38 HA ASN 9 HA ASN 9 17.353 -3.329 -7.330 39 HB2 ASN 9 1HB ASN 9 15.779 -4.928 -8.691 40 HB3 ASN 9 2HB ASN 9 14.774 -3.491 -8.848 41 HD21 ASN 9 1HD2 ASN 9 15.534 -4.360 -11.136 42 HD22 ASN 9 2HD2 ASN 9 16.863 -3.478 -11.800 43 H ALA 10 H ALA 10 16.615 -1.279 -8.734 44 HA ALA 10 HA ALA 10 16.187 0.811 -7.019 45 HB1 ALA 10 1HB ALA 10 16.197 0.444 -9.888 46 HB2 ALA 10 2HB ALA 10 15.061 1.700 -9.394 47 HB3 ALA 10 3HB ALA 10 16.757 1.811 -8.923 48 H SER 11 H SER 11 14.243 2.424 -7.344 49 HA SER 11 HA SER 11 12.094 1.578 -5.929 50 HB2 SER 11 1HB SER 11 12.447 3.930 -6.466 51 HB3 SER 11 2HB SER 11 12.070 3.625 -8.162 52 HG SER 11 HG SER 11 10.254 3.110 -6.048 53 H GLN 12 H GLN 12 12.558 1.257 -9.403 54 HA GLN 12 HA GLN 12 10.113 0.580 -10.347 55 HB2 GLN 12 1HB GLN 12 12.133 0.598 -11.732 56 HB3 GLN 12 2HB GLN 12 12.696 -0.872 -10.948 57 HG2 GLN 12 1HG GLN 12 10.035 -0.927 -12.256 58 HG3 GLN 12 2HG GLN 12 11.468 -0.909 -13.282 59 HE21 GLN 12 1HE2 GLN 12 11.359 -2.954 -14.045 60 HE22 GLN 12 2HE2 GLN 12 11.502 -4.365 -13.059 61 H SER 13 H SER 13 12.314 -1.612 -8.622 62 HA SER 13 HA SER 13 10.889 -3.957 -8.759 63 HB2 SER 13 1HB SER 13 12.055 -4.669 -6.783 64 HB3 SER 13 2HB SER 13 13.148 -3.624 -7.691 65 HG SER 13 HG SER 13 13.255 -2.903 -5.629 66 H LEU 14 H LEU 14 10.374 -1.217 -6.599 67 HA LEU 14 HA LEU 14 8.300 -2.510 -5.098 68 HB2 LEU 14 1HB LEU 14 9.642 -0.779 -4.076 69 HB3 LEU 14 2HB LEU 14 9.127 0.381 -5.298 70 HG LEU 14 HG LEU 14 6.816 0.218 -4.413 71 HD11 LEU 14 1HD1 LEU 14 8.133 -1.764 -2.639 72 HD12 LEU 14 2HD1 LEU 14 6.512 -1.763 -3.334 73 HD13 LEU 14 3HD1 LEU 14 6.877 -0.737 -1.947 74 HD21 LEU 14 1HD2 LEU 14 8.430 0.920 -2.040 75 HD22 LEU 14 2HD2 LEU 14 7.199 1.850 -2.894 76 HD23 LEU 14 3HD2 LEU 14 8.836 1.748 -3.543 77 H LEU 15 H LEU 15 8.229 0.334 -7.256 78 HA LEU 15 HA LEU 15 5.553 0.705 -7.510 79 HB2 LEU 15 1HB LEU 15 7.497 1.941 -8.630 80 HB3 LEU 15 2HB LEU 15 7.331 0.760 -9.928 81 HG LEU 15 HG LEU 15 4.832 1.580 -9.919 82 HD11 LEU 15 1HD1 LEU 15 5.897 4.237 -9.314 83 HD12 LEU 15 2HD1 LEU 15 5.763 3.173 -7.915 84 HD13 LEU 15 3HD1 LEU 15 4.342 3.512 -8.903 85 HD21 LEU 15 1HD2 LEU 15 6.505 1.760 -11.755 86 HD22 LEU 15 2HD2 LEU 15 7.017 3.305 -11.075 87 HD23 LEU 15 3HD2 LEU 15 5.372 3.110 -11.681 88 H VAL 16 H VAL 16 7.464 -1.840 -8.975 89 HA VAL 16 HA VAL 16 5.305 -2.792 -10.635 90 HB VAL 16 HB VAL 16 7.925 -4.132 -9.945 91 HG11 VAL 16 1HG1 VAL 16 5.999 -4.690 -12.198 92 HG12 VAL 16 2HG1 VAL 16 7.514 -5.535 -11.873 93 HG13 VAL 16 3HG1 VAL 16 6.167 -5.669 -10.741 94 HG21 VAL 16 1HG2 VAL 16 7.424 -1.844 -11.512 95 HG22 VAL 16 2HG2 VAL 16 8.929 -2.753 -11.369 96 HG23 VAL 16 3HG2 VAL 16 7.767 -3.163 -12.631 97 H TRP 17 H TRP 17 6.914 -3.844 -7.653 98 HA TRP 17 HA TRP 17 5.780 -6.251 -7.154 99 HB2 TRP 17 1HB TRP 17 7.353 -5.087 -5.632 100 HB3 TRP 17 2HB TRP 17 6.040 -4.037 -5.108 101 HD1 TRP 17 HD TRP 17 7.150 -7.724 -4.926 102 HE1 TRP 17 1HE TRP 17 6.009 -8.809 -2.889 103 HE3 TRP 17 3HE TRP 17 4.121 -3.848 -3.532 104 HZ2 TRP 17 2HZ TRP 17 4.080 -8.114 -0.949 105 HZ3 TRP 17 3HZ TRP 17 2.658 -4.140 -1.575 106 HH2 TRP 17 HH TRP 17 2.639 -6.229 -0.312 107 H CYS 18 H CYS 18 4.261 -3.114 -6.432 108 HA CYS 18 HA CYS 18 1.832 -4.240 -5.490 109 HB2 CYS 18 1HB CYS 18 2.545 -1.977 -4.869 110 HB3 CYS 18 2HB CYS 18 2.400 -1.462 -6.546 111 HG CYS 18 HG CYS 18 0.225 -0.364 -5.329 112 H LYS 19 H LYS 19 2.607 -2.553 -8.535 113 HA LYS 19 HA LYS 19 0.197 -2.862 -9.830 114 HB2 LYS 19 1HB LYS 19 2.965 -2.986 -11.042 115 HB3 LYS 19 2HB LYS 19 1.478 -2.714 -11.942 116 HG2 LYS 19 1HG LYS 19 1.205 -0.582 -11.110 117 HG3 LYS 19 2HG LYS 19 2.197 -0.899 -9.684 118 HD2 LYS 19 1HD LYS 19 3.543 0.468 -11.021 119 HD3 LYS 19 2HD LYS 19 4.142 -1.162 -11.338 120 HE2 LYS 19 1HE LYS 19 2.063 0.155 -13.065 121 HE3 LYS 19 2HE LYS 19 3.790 0.361 -13.350 122 HZ1 LYS 19 1HZ LYS 19 3.101 -2.383 -13.017 123 HZ2 LYS 19 2HZ LYS 19 3.905 -1.628 -14.298 124 HZ3 LYS 19 3HZ LYS 19 2.215 -1.681 -14.276 125 H GLU 20 H GLU 20 2.478 -5.277 -8.993 126 HA GLU 20 HA GLU 20 1.628 -7.191 -10.975 127 HB2 GLU 20 1HB GLU 20 3.929 -7.016 -9.760 128 HB3 GLU 20 2HB GLU 20 3.126 -7.912 -8.478 129 HG2 GLU 20 1HG GLU 20 4.421 -9.307 -10.085 130 HG3 GLU 20 2HG GLU 20 2.729 -9.765 -9.903 131 H VAL 21 H VAL 21 1.369 -7.004 -7.422 132 HA VAL 21 HA VAL 21 -0.457 -9.169 -7.224 133 HB VAL 21 HB VAL 21 -0.558 -8.747 -4.942 134 HG11 VAL 21 1HG1 VAL 21 1.611 -9.044 -4.573 135 HG12 VAL 21 2HG1 VAL 21 1.932 -8.509 -6.223 136 HG13 VAL 21 3HG1 VAL 21 1.939 -7.343 -4.899 137 HG21 VAL 21 1HG2 VAL 21 0.058 -5.858 -5.549 138 HG22 VAL 21 2HG2 VAL 21 -1.486 -6.520 -5.013 139 HG23 VAL 21 3HG2 VAL 21 -0.096 -6.535 -3.928 140 H THR 22 H THR 22 -0.840 -5.963 -8.223 141 HA THR 22 HA THR 22 -3.721 -6.003 -7.623 142 HB THR 22 HB THR 22 -3.713 -3.585 -8.052 143 HG1 THR 22 1HG THR 22 -1.085 -4.152 -8.819 144 HG21 THR 22 1HG2 THR 22 -2.760 -4.858 -5.825 145 HG22 THR 22 2HG2 THR 22 -3.110 -3.133 -5.933 146 HG23 THR 22 3HG2 THR 22 -1.464 -3.717 -6.179 147 H LYS 23 H LYS 23 -2.248 -7.377 -9.850 148 HA LYS 23 HA LYS 23 -2.779 -6.043 -12.283 149 HB2 LYS 23 1HB LYS 23 -2.463 -8.255 -13.326 150 HB3 LYS 23 2HB LYS 23 -1.192 -7.881 -12.169 151 HG2 LYS 23 1HG LYS 23 -2.502 -9.242 -10.489 152 HG3 LYS 23 2HG LYS 23 -3.489 -9.788 -11.847 153 HD2 LYS 23 1HD LYS 23 -0.489 -10.035 -11.798 154 HD3 LYS 23 2HD LYS 23 -1.566 -11.296 -11.192 155 HE2 LYS 23 1HE LYS 23 -1.598 -10.173 -13.992 156 HE3 LYS 23 2HE LYS 23 -0.844 -11.694 -13.516 157 HZ1 LYS 23 1HZ LYS 23 -3.279 -12.074 -12.563 158 HZ2 LYS 23 2HZ LYS 23 -2.843 -12.495 -14.142 159 HZ3 LYS 23 3HZ LYS 23 -3.662 -11.044 -13.850 160 H ASN 24 H ASN 24 -4.630 -5.704 -13.319 161 HA ASN 24 HA ASN 24 -6.814 -5.813 -13.942 162 HB2 ASN 24 1HB ASN 24 -6.382 -8.681 -13.110 163 HB3 ASN 24 2HB ASN 24 -7.911 -8.111 -13.773 164 HD21 ASN 24 1HD2 ASN 24 -4.438 -7.946 -14.482 165 HD22 ASN 24 2HD2 ASN 24 -4.601 -8.197 -16.183 166 H TYR 25 H TYR 25 -6.474 -4.584 -11.595 167 HA TYR 25 HA TYR 25 -8.470 -5.712 -9.758 168 HB2 TYR 25 1HB TYR 25 -6.132 -3.893 -9.408 169 HB3 TYR 25 2HB TYR 25 -7.499 -3.704 -8.316 170 HD1 TYR 25 2HD TYR 25 -5.773 -6.679 -9.790 171 HD2 TYR 25 1HD TYR 25 -7.038 -4.653 -6.269 172 HE1 TYR 25 2HE TYR 25 -4.932 -8.542 -8.423 173 HE2 TYR 25 1HE TYR 25 -6.199 -6.511 -4.891 174 HH TYR 25 HH TYR 25 -5.695 -9.385 -5.790 175 H ARG 26 H ARG 26 -9.481 -3.666 -8.454 176 HA ARG 26 HA ARG 26 -11.124 -2.356 -10.436 177 HB2 ARG 26 1HB ARG 26 -11.964 -3.340 -8.247 178 HB3 ARG 26 2HB ARG 26 -11.223 -1.960 -7.448 179 HG2 ARG 26 1HG ARG 26 -12.656 -0.438 -8.636 180 HG3 ARG 26 2HG ARG 26 -13.326 -1.761 -9.591 181 HD2 ARG 26 1HD ARG 26 -13.942 -2.755 -7.260 182 HD3 ARG 26 2HD ARG 26 -13.754 -1.090 -6.711 183 HE ARG 26 HE ARG 26 -15.419 -1.164 -8.985 184 HH11 ARG 26 1HH1 ARG 26 -15.404 -1.994 -5.604 185 HH12 ARG 26 2HH1 ARG 26 -17.115 -1.796 -5.415 186 HH21 ARG 26 1HH2 ARG 26 -17.672 -0.901 -8.748 187 HH22 ARG 26 2HH2 ARG 26 -18.404 -1.175 -7.204 188 H GLY 27 H GLY 27 -9.943 -0.796 -11.471 189 HA2 GLY 27 1HA GLY 27 -8.862 1.205 -11.794 190 HA3 GLY 27 2HA GLY 27 -9.763 1.747 -10.387 191 H VAL 28 H VAL 28 -6.998 -0.422 -11.015 192 HA VAL 28 HA VAL 28 -5.586 0.928 -8.805 193 HB VAL 28 HB VAL 28 -5.294 -1.922 -9.765 194 HG11 VAL 28 1HG1 VAL 28 -3.518 -0.201 -8.242 195 HG12 VAL 28 2HG1 VAL 28 -3.951 -1.670 -7.365 196 HG13 VAL 28 3HG1 VAL 28 -3.216 -1.781 -8.965 197 HG21 VAL 28 1HG2 VAL 28 -6.066 -2.443 -7.444 198 HG22 VAL 28 2HG2 VAL 28 -6.438 -0.731 -7.243 199 HG23 VAL 28 3HG2 VAL 28 -7.286 -1.680 -8.464 200 H LYS 29 H LYS 29 -4.618 2.495 -10.110 201 HA LYS 29 HA LYS 29 -2.612 1.466 -12.010 202 HB2 LYS 29 1HB LYS 29 -4.433 2.811 -13.057 203 HB3 LYS 29 2HB LYS 29 -3.947 4.178 -12.063 204 HG2 LYS 29 1HG LYS 29 -1.643 3.908 -13.131 205 HG3 LYS 29 2HG LYS 29 -2.452 2.872 -14.309 206 HD2 LYS 29 1HD LYS 29 -3.848 4.645 -15.041 207 HD3 LYS 29 2HD LYS 29 -3.381 5.666 -13.679 208 HE2 LYS 29 1HE LYS 29 -1.040 5.630 -14.584 209 HE3 LYS 29 2HE LYS 29 -1.676 4.824 -16.017 210 HZ1 LYS 29 1HZ LYS 29 -1.585 7.104 -16.522 211 HZ2 LYS 29 2HZ LYS 29 -2.284 7.556 -15.050 212 HZ3 LYS 29 3HZ LYS 29 -3.219 6.780 -16.227 213 H ILE 30 H ILE 30 -1.091 1.255 -10.293 214 HA ILE 30 HA ILE 30 -0.359 3.307 -8.532 215 HB ILE 30 HB ILE 30 1.362 1.079 -9.627 216 HG12 ILE 30 1HG1 ILE 30 0.765 0.293 -7.142 217 HG13 ILE 30 2HG1 ILE 30 -0.672 1.258 -7.460 218 HG21 ILE 30 1HG2 ILE 30 2.972 1.568 -8.081 219 HG22 ILE 30 2HG2 ILE 30 2.376 3.193 -8.420 220 HG23 ILE 30 3HG2 ILE 30 1.834 2.338 -6.976 221 HD11 ILE 30 1HD1 ILE 30 -0.056 -1.388 -8.311 222 HD12 ILE 30 2HD1 ILE 30 -1.546 -0.467 -8.523 223 HD13 ILE 30 3HD1 ILE 30 -0.261 -0.356 -9.726 224 H THR 31 H THR 31 -0.465 5.138 -10.052 225 HA THR 31 HA THR 31 1.706 5.407 -11.952 226 HB THR 31 HB THR 31 -0.213 6.434 -12.769 227 HG1 THR 31 1HG THR 31 1.008 8.640 -11.458 228 HG21 THR 31 1HG2 THR 31 -1.470 8.147 -11.312 229 HG22 THR 31 2HG2 THR 31 -0.626 7.398 -9.956 230 HG23 THR 31 3HG2 THR 31 -1.702 6.433 -10.966 231 H ASN 32 H ASN 32 0.962 6.365 -8.700 232 HA ASN 32 HA ASN 32 3.632 7.511 -8.447 233 HB2 ASN 32 1HB ASN 32 2.322 9.313 -6.935 234 HB3 ASN 32 2HB ASN 32 2.711 9.586 -8.631 235 HD21 ASN 32 1HD2 ASN 32 1.047 10.761 -9.326 236 HD22 ASN 32 2HD2 ASN 32 -0.612 10.290 -9.231 237 H PHE 33 H PHE 33 3.916 8.175 -5.995 238 HA PHE 33 HA PHE 33 2.885 5.920 -4.407 239 HB2 PHE 33 1HB PHE 33 5.537 7.309 -4.457 240 HB3 PHE 33 2HB PHE 33 4.994 6.543 -2.968 241 HD1 PHE 33 2HD PHE 33 3.811 4.099 -3.646 242 HD2 PHE 33 1HD PHE 33 7.077 6.038 -5.568 243 HE1 PHE 33 2HE PHE 33 4.610 1.924 -4.474 244 HE2 PHE 33 1HE PHE 33 7.881 3.866 -6.400 245 HZ PHE 33 HZ PHE 33 6.648 1.806 -5.852 246 H THR 34 H THR 34 2.148 8.962 -4.886 247 HA THR 34 HA THR 34 1.848 9.637 -2.033 248 HB THR 34 HB THR 34 1.608 11.971 -2.704 249 HG1 THR 34 1HG THR 34 2.196 11.118 -5.357 250 HG21 THR 34 1HG2 THR 34 3.968 10.423 -2.932 251 HG22 THR 34 2HG2 THR 34 3.823 12.137 -2.542 252 HG23 THR 34 3HG2 THR 34 4.003 11.626 -4.220 253 H THR 35 H THR 35 0.167 10.251 -5.123 254 HA THR 35 HA THR 35 -2.370 10.530 -3.801 255 HB THR 35 HB THR 35 -3.287 10.678 -6.127 256 HG1 THR 35 1HG THR 35 -1.872 10.597 -7.844 257 HG21 THR 35 1HG2 THR 35 -2.059 12.569 -4.703 258 HG22 THR 35 2HG2 THR 35 -2.682 12.869 -6.326 259 HG23 THR 35 3HG2 THR 35 -0.968 12.531 -6.087 260 H SER 36 H SER 36 -1.119 8.232 -6.230 261 HA SER 36 HA SER 36 -3.137 6.486 -6.507 262 HB2 SER 36 1HB SER 36 -0.827 6.260 -7.484 263 HB3 SER 36 2HB SER 36 -0.313 5.552 -5.952 264 HG SER 36 HG SER 36 -2.554 4.489 -7.258 265 H TRP 37 H TRP 37 -1.216 6.912 -3.624 266 HA TRP 37 HA TRP 37 -2.713 4.751 -2.303 267 HB2 TRP 37 1HB TRP 37 -0.246 6.131 -1.242 268 HB3 TRP 37 2HB TRP 37 -0.957 4.616 -0.692 269 HD1 TRP 37 HD TRP 37 1.041 6.061 -3.651 270 HE1 TRP 37 1HE TRP 37 2.254 4.121 -4.829 271 HE3 TRP 37 3HE TRP 37 -0.969 2.148 -1.048 272 HZ2 TRP 37 2HZ TRP 37 2.346 1.304 -4.676 273 HZ3 TRP 37 3HZ TRP 37 -0.266 -0.138 -1.626 274 HH2 TRP 37 HH TRP 37 1.357 -0.549 -3.403 275 H ARG 38 H ARG 38 -2.306 8.146 -2.462 276 HA ARG 38 HA ARG 38 -2.817 9.175 -0.028 277 HB2 ARG 38 1HB ARG 38 -2.705 10.733 -1.763 278 HB3 ARG 38 2HB ARG 38 -3.927 9.903 -2.717 279 HG2 ARG 38 1HG ARG 38 -5.673 10.815 -1.524 280 HG3 ARG 38 2HG ARG 38 -4.678 11.117 -0.098 281 HD2 ARG 38 1HD ARG 38 -4.841 13.247 -0.891 282 HD3 ARG 38 2HD ARG 38 -3.409 12.722 -1.775 283 HE ARG 38 HE ARG 38 -4.589 13.003 -3.699 284 HH11 ARG 38 1HH1 ARG 38 -6.844 12.502 -1.094 285 HH12 ARG 38 2HH1 ARG 38 -8.244 12.739 -2.086 286 HH21 ARG 38 1HH2 ARG 38 -6.425 13.318 -5.016 287 HH22 ARG 38 2HH2 ARG 38 -8.004 13.202 -4.317 288 H ASN 39 H ASN 39 -5.282 7.749 -2.155 289 HA ASN 39 HA ASN 39 -7.399 8.104 -0.268 290 HB2 ASN 39 1HB ASN 39 -8.450 6.285 -1.900 291 HB3 ASN 39 2HB ASN 39 -8.279 7.970 -2.383 292 HD21 ASN 39 1HD2 ASN 39 -8.418 6.947 -4.532 293 HD22 ASN 39 2HD2 ASN 39 -6.955 6.392 -5.264 294 H GLY 40 H GLY 40 -5.663 5.215 -1.447 295 HA2 GLY 40 1HA GLY 40 -4.840 3.706 0.362 296 HA3 GLY 40 2HA GLY 40 -6.440 3.874 1.070 297 H LEU 41 H LEU 41 -6.110 3.643 -2.373 298 HA LEU 41 HA LEU 41 -7.726 1.277 -2.429 299 HB2 LEU 41 1HB LEU 41 -6.405 2.956 -4.536 300 HB3 LEU 41 2HB LEU 41 -7.229 1.451 -4.937 301 HG LEU 41 HG LEU 41 -8.495 3.881 -3.673 302 HD11 LEU 41 1HD1 LEU 41 -7.846 4.095 -6.075 303 HD12 LEU 41 2HD1 LEU 41 -9.577 4.227 -5.769 304 HD13 LEU 41 3HD1 LEU 41 -8.910 2.733 -6.425 305 HD21 LEU 41 1HD2 LEU 41 -9.666 2.008 -2.859 306 HD22 LEU 41 2HD2 LEU 41 -9.573 1.173 -4.410 307 HD23 LEU 41 3HD2 LEU 41 -10.609 2.591 -4.231 308 H SER 42 H SER 42 -4.532 1.944 -3.877 309 HA SER 42 HA SER 42 -3.821 -0.630 -4.513 310 HB2 SER 42 1HB SER 42 -1.976 1.543 -3.492 311 HB3 SER 42 2HB SER 42 -1.481 0.119 -4.407 312 HG SER 42 HG SER 42 -3.463 1.751 -5.501 313 H PHE 43 H PHE 43 -3.524 1.003 -1.401 314 HA PHE 43 HA PHE 43 -1.999 -0.906 -0.052 315 HB2 PHE 43 1HB PHE 43 -3.953 1.191 0.798 316 HB3 PHE 43 2HB PHE 43 -3.395 0.019 1.988 317 HD1 PHE 43 2HD PHE 43 -0.658 -0.371 1.605 318 HD2 PHE 43 1HD PHE 43 -2.888 3.202 0.988 319 HE1 PHE 43 2HE PHE 43 1.382 0.959 1.958 320 HE2 PHE 43 1HE PHE 43 -0.852 4.537 1.339 321 HZ PHE 43 HZ PHE 43 1.287 3.416 1.826 322 H CYS 44 H CYS 44 -5.546 -0.533 -0.064 323 HA CYS 44 HA CYS 44 -6.058 -2.912 1.361 324 HB2 CYS 44 1HB CYS 44 -7.763 -1.187 -0.428 325 HB3 CYS 44 2HB CYS 44 -8.395 -2.638 0.341 326 HG CYS 44 HG CYS 44 -7.551 0.327 1.739 327 H ALA 45 H ALA 45 -5.729 -2.207 -2.065 328 HA ALA 45 HA ALA 45 -6.754 -4.574 -3.130 329 HB1 ALA 45 1HB ALA 45 -4.575 -2.758 -4.143 330 HB2 ALA 45 2HB ALA 45 -5.265 -4.085 -5.080 331 HB3 ALA 45 3HB ALA 45 -6.284 -2.736 -4.576 332 H ILE 46 H ILE 46 -3.437 -3.790 -2.120 333 HA ILE 46 HA ILE 46 -2.223 -6.190 -2.855 334 HB ILE 46 HB ILE 46 -1.549 -4.356 -0.552 335 HG12 ILE 46 1HG1 ILE 46 -0.133 -4.568 -3.200 336 HG13 ILE 46 2HG1 ILE 46 -1.523 -3.510 -2.988 337 HG21 ILE 46 1HG2 ILE 46 0.125 -6.519 -1.822 338 HG22 ILE 46 2HG2 ILE 46 0.656 -5.397 -0.570 339 HG23 ILE 46 3HG2 ILE 46 -0.599 -6.583 -0.216 340 HD11 ILE 46 1HD1 ILE 46 -0.393 -2.134 -1.488 341 HD12 ILE 46 2HD1 ILE 46 0.856 -3.342 -1.181 342 HD13 ILE 46 3HD1 ILE 46 0.803 -2.502 -2.731 343 H LEU 47 H LEU 47 -3.133 -5.282 0.475 344 HA LEU 47 HA LEU 47 -2.821 -7.753 1.649 345 HB2 LEU 47 1HB LEU 47 -3.238 -5.684 2.885 346 HB3 LEU 47 2HB LEU 47 -4.901 -5.670 2.301 347 HG LEU 47 HG LEU 47 -5.310 -7.773 3.546 348 HD11 LEU 47 1HD1 LEU 47 -2.479 -7.757 3.758 349 HD12 LEU 47 2HD1 LEU 47 -3.621 -8.981 4.312 350 HD13 LEU 47 3HD1 LEU 47 -3.157 -7.659 5.383 351 HD21 LEU 47 1HD2 LEU 47 -4.211 -5.682 5.401 352 HD22 LEU 47 2HD2 LEU 47 -5.605 -6.738 5.630 353 HD23 LEU 47 3HD2 LEU 47 -5.679 -5.421 4.459 354 H HIS 48 H HIS 48 -5.364 -6.644 -0.429 355 HA HIS 48 HA HIS 48 -7.201 -8.755 0.249 356 HB2 HIS 48 1HB HIS 48 -7.783 -6.424 -0.680 357 HB3 HIS 48 2HB HIS 48 -7.322 -7.078 -2.249 358 HD1 HIS 48 1HD HIS 48 -8.967 -8.627 -3.403 359 HD2 HIS 48 2HD HIS 48 -10.125 -7.591 0.450 360 HE1 HIS 48 1HE HIS 48 -11.337 -9.435 -3.173 361 HE2 HIS 48 2HE HIS 48 -12.045 -8.721 -0.864 362 H HIS 49 H HIS 49 -4.616 -8.270 -2.011 363 HA HIS 49 HA HIS 49 -5.249 -10.134 -3.979 364 HB2 HIS 49 1HB HIS 49 -3.365 -8.547 -4.138 365 HB3 HIS 49 2HB HIS 49 -2.505 -9.454 -2.897 366 HD1 HIS 49 1HD HIS 49 -4.240 -10.582 -6.099 367 HD2 HIS 49 2HD HIS 49 -0.572 -10.840 -4.166 368 HE1 HIS 49 1HE HIS 49 -2.808 -12.037 -7.566 369 HE2 HIS 49 2HE HIS 49 -0.621 -12.249 -6.334 370 H PHE 50 H PHE 50 -3.612 -10.583 -0.872 371 HA PHE 50 HA PHE 50 -3.344 -13.436 -1.319 372 HB2 PHE 50 1HB PHE 50 -2.775 -11.969 1.252 373 HB3 PHE 50 2HB PHE 50 -2.097 -13.496 0.699 374 HD1 PHE 50 1HD PHE 50 -0.385 -13.531 -1.056 375 HD2 PHE 50 2HD PHE 50 -1.876 -9.878 0.542 376 HE1 PHE 50 1HE PHE 50 1.541 -12.332 -2.009 377 HE2 PHE 50 2HE PHE 50 0.047 -8.674 -0.410 378 HZ PHE 50 HZ PHE 50 1.758 -9.900 -1.688 379 H ARG 51 H ARG 51 -5.015 -11.324 1.012 380 HA ARG 51 HA ARG 51 -6.908 -13.530 1.501 381 HB2 ARG 51 1HB ARG 51 -5.256 -12.388 3.367 382 HB3 ARG 51 2HB ARG 51 -6.736 -11.460 3.576 383 HG2 ARG 51 1HG ARG 51 -6.340 -14.419 3.879 384 HG3 ARG 51 2HG ARG 51 -6.870 -13.251 5.091 385 HD2 ARG 51 1HD ARG 51 -8.925 -12.873 3.765 386 HD3 ARG 51 2HD ARG 51 -8.399 -14.127 2.643 387 HE ARG 51 HE ARG 51 -8.635 -14.894 5.438 388 HH11 ARG 51 1HH1 ARG 51 -10.050 -14.845 2.257 389 HH12 ARG 51 2HH1 ARG 51 -11.162 -16.132 2.590 390 HH21 ARG 51 1HH2 ARG 51 -10.094 -16.588 5.888 391 HH22 ARG 51 2HH2 ARG 51 -11.187 -17.122 4.656 392 HA PRO 52 HA PRO 52 -9.407 -10.221 -0.416 393 HB2 PRO 52 1HB PRO 52 -11.237 -11.931 -1.463 394 HB3 PRO 52 2HB PRO 52 -9.700 -11.565 -2.256 395 HG2 PRO 52 1HG PRO 52 -10.449 -13.926 -0.575 396 HG3 PRO 52 2HG PRO 52 -9.530 -13.878 -2.091 397 HD2 PRO 52 1HD PRO 52 -8.337 -14.107 0.329 398 HD3 PRO 52 2HD PRO 52 -7.577 -13.261 -1.034 399 H ASP 53 H ASP 53 -9.725 -12.137 2.227 400 HA ASP 53 HA ASP 53 -12.513 -11.329 2.723 401 HB2 ASP 53 1HB ASP 53 -11.917 -13.795 2.822 402 HB3 ASP 53 2HB ASP 53 -10.960 -13.418 4.252 403 H LEU 54 H LEU 54 -9.242 -10.941 3.718 404 HA LEU 54 HA LEU 54 -9.581 -10.110 6.370 405 HB2 LEU 54 1HB LEU 54 -7.520 -9.744 4.274 406 HB3 LEU 54 2HB LEU 54 -7.473 -8.638 5.645 407 HG LEU 54 HG LEU 54 -7.510 -11.615 6.035 408 HD11 LEU 54 1HD1 LEU 54 -4.899 -10.393 6.293 409 HD12 LEU 54 2HD1 LEU 54 -5.514 -10.293 4.644 410 HD13 LEU 54 3HD1 LEU 54 -5.382 -11.860 5.441 411 HD21 LEU 54 1HD2 LEU 54 -7.138 -11.157 8.200 412 HD22 LEU 54 2HD2 LEU 54 -7.778 -9.564 7.796 413 HD23 LEU 54 3HD2 LEU 54 -6.034 -9.831 7.836 414 H ILE 55 H ILE 55 -9.691 -8.283 3.338 415 HA ILE 55 HA ILE 55 -10.765 -5.991 4.850 416 HB ILE 55 HB ILE 55 -9.703 -5.572 2.109 417 HG12 ILE 55 1HG1 ILE 55 -7.438 -5.118 3.461 418 HG13 ILE 55 2HG1 ILE 55 -8.068 -6.438 4.440 419 HG21 ILE 55 1HG2 ILE 55 -8.757 -3.571 3.646 420 HG22 ILE 55 2HG2 ILE 55 -10.349 -3.558 2.889 421 HG23 ILE 55 3HG2 ILE 55 -10.179 -4.038 4.578 422 HD11 ILE 55 1HD1 ILE 55 -6.653 -6.592 2.022 423 HD12 ILE 55 2HD1 ILE 55 -7.365 -7.910 2.954 424 HD13 ILE 55 3HD1 ILE 55 -8.299 -7.123 1.682 425 H ASP 56 H ASP 56 -11.983 -4.492 3.115 426 HA ASP 56 HA ASP 56 -13.969 -6.244 1.823 427 HB2 ASP 56 1HB ASP 56 -14.425 -3.424 2.811 428 HB3 ASP 56 2HB ASP 56 -15.641 -4.574 2.261 429 H TYR 57 H TYR 57 -11.498 -5.279 0.620 430 HA TYR 57 HA TYR 57 -11.818 -3.070 -1.034 431 HB2 TYR 57 1HB TYR 57 -9.692 -4.316 -0.710 432 HB3 TYR 57 2HB TYR 57 -10.334 -5.621 -1.702 433 HD1 TYR 57 2HD TYR 57 -10.995 -5.046 -4.116 434 HD2 TYR 57 1HD TYR 57 -8.566 -2.524 -1.700 435 HE1 TYR 57 2HE TYR 57 -10.155 -3.927 -6.139 436 HE2 TYR 57 1HE TYR 57 -7.719 -1.398 -3.716 437 HH TYR 57 HH TYR 57 -8.732 -1.060 -6.197 438 H LYS 58 H LYS 58 -13.360 -6.122 -1.153 439 HA LYS 58 HA LYS 58 -13.954 -6.218 -3.928 440 HB2 LYS 58 1HB LYS 58 -15.557 -7.940 -3.345 441 HB3 LYS 58 2HB LYS 58 -14.070 -8.189 -2.438 442 HG2 LYS 58 1HG LYS 58 -15.036 -7.492 -0.433 443 HG3 LYS 58 2HG LYS 58 -16.387 -6.705 -1.252 444 HD2 LYS 58 1HD LYS 58 -15.915 -9.678 -1.339 445 HD3 LYS 58 2HD LYS 58 -16.915 -8.896 -0.113 446 HE2 LYS 58 1HE LYS 58 -18.068 -7.821 -2.221 447 HE3 LYS 58 2HE LYS 58 -17.395 -9.233 -3.035 448 HZ1 LYS 58 1HZ LYS 58 -18.688 -9.911 -0.577 449 HZ2 LYS 58 2HZ LYS 58 -18.925 -10.543 -2.128 450 HZ3 LYS 58 3HZ LYS 58 -19.744 -9.142 -1.652 451 H SER 59 H SER 59 -15.241 -4.426 -1.294 452 HA SER 59 HA SER 59 -17.355 -3.390 -3.058 453 HB2 SER 59 1HB SER 59 -18.365 -4.894 -1.374 454 HB3 SER 59 2HB SER 59 -17.653 -3.918 -0.090 455 HG SER 59 HG SER 59 -19.919 -3.501 -1.502 456 H LEU 60 H LEU 60 -14.595 -2.513 -2.184 457 HA LEU 60 HA LEU 60 -15.089 -0.140 -0.608 458 HB2 LEU 60 1HB LEU 60 -12.698 -1.449 -1.808 459 HB3 LEU 60 2HB LEU 60 -12.602 0.255 -1.372 460 HG LEU 60 HG LEU 60 -13.003 -2.115 0.432 461 HD11 LEU 60 1HD1 LEU 60 -11.093 0.097 0.938 462 HD12 LEU 60 2HD1 LEU 60 -10.722 -1.028 -0.368 463 HD13 LEU 60 3HD1 LEU 60 -10.949 -1.629 1.275 464 HD21 LEU 60 1HD2 LEU 60 -13.140 -0.311 2.244 465 HD22 LEU 60 2HD2 LEU 60 -14.592 -0.633 1.295 466 HD23 LEU 60 3HD2 LEU 60 -13.601 0.782 0.938 467 H ASN 61 H ASN 61 -13.654 1.836 -1.646 468 HA ASN 61 HA ASN 61 -13.950 2.272 -4.425 469 HB2 ASN 61 1HB ASN 61 -16.155 3.190 -2.627 470 HB3 ASN 61 2HB ASN 61 -15.684 4.217 -3.978 471 HD21 ASN 61 1HD2 ASN 61 -15.100 2.438 -5.924 472 HD22 ASN 61 2HD2 ASN 61 -16.507 1.529 -6.350 473 HA PRO 62 HA PRO 62 -11.177 5.559 -3.554 474 HB2 PRO 62 1HB PRO 62 -11.783 7.360 -5.492 475 HB3 PRO 62 2HB PRO 62 -10.947 5.838 -5.823 476 HG2 PRO 62 1HG PRO 62 -13.842 6.523 -6.164 477 HG3 PRO 62 2HG PRO 62 -12.770 5.618 -7.249 478 HD2 PRO 62 1HD PRO 62 -14.536 4.400 -5.596 479 HD3 PRO 62 2HD PRO 62 -12.979 3.670 -6.035 480 H GLN 63 H GLN 63 -14.387 5.825 -2.900 481 HA GLN 63 HA GLN 63 -14.525 8.656 -2.381 482 HB2 GLN 63 1HB GLN 63 -16.715 8.061 -1.307 483 HB3 GLN 63 2HB GLN 63 -16.569 7.583 -2.994 484 HG2 GLN 63 1HG GLN 63 -17.641 5.871 -1.590 485 HG3 GLN 63 2HG GLN 63 -16.166 5.302 -2.371 486 HE21 GLN 63 1HE2 GLN 63 -15.370 3.834 -1.023 487 HE22 GLN 63 2HE2 GLN 63 -15.046 4.086 0.655 488 H ASP 64 H ASP 64 -13.140 6.051 -0.814 489 HA ASP 64 HA ASP 64 -13.320 7.398 1.801 490 HB2 ASP 64 1HB ASP 64 -13.236 4.518 1.032 491 HB3 ASP 64 2HB ASP 64 -12.458 4.994 2.539 492 H ILE 65 H ILE 65 -11.551 8.524 2.238 493 HA ILE 65 HA ILE 65 -8.980 7.647 1.133 494 HB ILE 65 HB ILE 65 -9.760 10.284 2.382 495 HG12 ILE 65 1HG1 ILE 65 -9.192 9.509 -0.488 496 HG13 ILE 65 2HG1 ILE 65 -10.765 9.930 0.181 497 HG21 ILE 65 1HG2 ILE 65 -7.344 9.479 2.652 498 HG22 ILE 65 2HG2 ILE 65 -7.208 9.720 0.911 499 HG23 ILE 65 3HG2 ILE 65 -7.602 11.081 1.961 500 HD11 ILE 65 1HD1 ILE 65 -9.938 12.191 0.647 501 HD12 ILE 65 2HD1 ILE 65 -8.392 11.759 -0.083 502 HD13 ILE 65 3HD1 ILE 65 -9.855 11.781 -1.066 503 H LYS 66 H LYS 66 -10.514 8.591 4.182 504 HA LYS 66 HA LYS 66 -8.154 7.991 5.727 505 HB2 LYS 66 1HB LYS 66 -9.588 9.760 6.510 506 HB3 LYS 66 2HB LYS 66 -10.984 8.691 6.518 507 HG2 LYS 66 1HG LYS 66 -9.739 7.319 8.251 508 HG3 LYS 66 2HG LYS 66 -8.624 8.682 8.371 509 HD2 LYS 66 1HD LYS 66 -11.594 8.712 8.902 510 HD3 LYS 66 2HD LYS 66 -10.300 8.880 10.092 511 HE2 LYS 66 1HE LYS 66 -9.597 10.903 8.583 512 HE3 LYS 66 2HE LYS 66 -11.276 10.827 8.051 513 HZ1 LYS 66 1HZ LYS 66 -11.374 10.665 10.791 514 HZ2 LYS 66 2HZ LYS 66 -11.767 12.010 9.844 515 HZ3 LYS 66 3HZ LYS 66 -10.207 11.849 10.478 516 H GLU 67 H GLU 67 -11.306 6.492 5.140 517 HA GLU 67 HA GLU 67 -10.958 4.333 6.936 518 HB2 GLU 67 1HB GLU 67 -13.162 4.997 6.100 519 HB3 GLU 67 2HB GLU 67 -12.695 4.535 4.470 520 HG2 GLU 67 1HG GLU 67 -12.877 2.304 4.894 521 HG3 GLU 67 2HG GLU 67 -12.511 2.486 6.609 522 H ASN 68 H ASN 68 -10.911 4.269 3.367 523 HA ASN 68 HA ASN 68 -10.066 1.801 2.813 524 HB2 ASN 68 1HB ASN 68 -9.313 4.432 1.619 525 HB3 ASN 68 2HB ASN 68 -8.462 2.993 1.067 526 HD21 ASN 68 1HD2 ASN 68 -9.714 4.100 -0.861 527 HD22 ASN 68 2HD2 ASN 68 -11.222 3.345 -1.237 528 H ASN 69 H ASN 69 -7.811 4.412 3.709 529 HA ASN 69 HA ASN 69 -5.505 2.800 3.763 530 HB2 ASN 69 1HB ASN 69 -6.242 5.492 4.807 531 HB3 ASN 69 2HB ASN 69 -4.790 4.735 5.454 532 HD21 ASN 69 1HD2 ASN 69 -6.241 6.287 2.768 533 HD22 ASN 69 2HD2 ASN 69 -4.847 6.314 1.747 534 H LYS 70 H LYS 70 -7.478 4.023 6.472 535 HA LYS 70 HA LYS 70 -6.232 2.816 8.580 536 HB2 LYS 70 1HB LYS 70 -8.015 4.235 9.118 537 HB3 LYS 70 2HB LYS 70 -9.130 3.394 8.050 538 HG2 LYS 70 1HG LYS 70 -8.006 1.881 10.340 539 HG3 LYS 70 2HG LYS 70 -9.218 3.119 10.677 540 HD2 LYS 70 1HD LYS 70 -9.761 1.198 8.474 541 HD3 LYS 70 2HD LYS 70 -9.886 0.610 10.134 542 HE2 LYS 70 1HE LYS 70 -11.259 3.118 9.204 543 HE3 LYS 70 2HE LYS 70 -12.007 1.528 9.064 544 HZ1 LYS 70 1HZ LYS 70 -11.180 1.576 11.633 545 HZ2 LYS 70 2HZ LYS 70 -12.749 1.933 11.114 546 HZ3 LYS 70 3HZ LYS 70 -11.644 3.184 11.388 547 H LYS 71 H LYS 71 -8.595 1.352 6.389 548 HA LYS 71 HA LYS 71 -8.962 -1.086 7.654 549 HB2 LYS 71 1HB LYS 71 -8.931 -0.368 4.725 550 HB3 LYS 71 2HB LYS 71 -9.364 -1.972 5.302 551 HG2 LYS 71 1HG LYS 71 -11.081 -0.714 6.774 552 HG3 LYS 71 2HG LYS 71 -10.821 0.614 5.641 553 HD2 LYS 71 1HD LYS 71 -11.716 -0.558 3.859 554 HD3 LYS 71 2HD LYS 71 -11.403 -2.128 4.603 555 HE2 LYS 71 1HE LYS 71 -13.256 -1.983 5.988 556 HE3 LYS 71 2HE LYS 71 -13.336 -0.226 5.865 557 HZ1 LYS 71 1HZ LYS 71 -14.509 -0.323 3.960 558 HZ2 LYS 71 2HZ LYS 71 -14.956 -1.847 4.539 559 HZ3 LYS 71 3HZ LYS 71 -13.721 -1.708 3.392 560 H ALA 72 H ALA 72 -6.408 -0.097 5.410 561 HA ALA 72 HA ALA 72 -5.146 -2.620 5.230 562 HB1 ALA 72 1HB ALA 72 -4.537 0.137 4.435 563 HB2 ALA 72 2HB ALA 72 -3.124 -0.869 4.757 564 HB3 ALA 72 3HB ALA 72 -4.313 -1.377 3.557 565 H TYR 73 H TYR 73 -4.143 0.287 7.047 566 HA TYR 73 HA TYR 73 -2.018 -0.729 8.428 567 HB2 TYR 73 1HB TYR 73 -4.076 1.090 9.685 568 HB3 TYR 73 2HB TYR 73 -2.361 0.988 10.068 569 HD1 TYR 73 1HD TYR 73 -1.348 0.882 7.197 570 HD2 TYR 73 2HD TYR 73 -4.195 3.390 9.123 571 HE1 TYR 73 1HE TYR 73 -0.877 2.660 5.564 572 HE2 TYR 73 2HE TYR 73 -3.733 5.175 7.495 573 HH TYR 73 HH TYR 73 -2.638 4.961 4.791 574 H ASP 74 H ASP 74 -5.352 -1.513 8.834 575 HA ASP 74 HA ASP 74 -5.102 -2.620 11.470 576 HB2 ASP 74 1HB ASP 74 -7.238 -2.490 9.394 577 HB3 ASP 74 2HB ASP 74 -7.369 -3.733 10.635 578 H GLY 75 H GLY 75 -5.077 -3.883 8.172 579 HA2 GLY 75 1HA GLY 75 -4.880 -6.627 9.065 580 HA3 GLY 75 2HA GLY 75 -4.799 -6.059 7.404 581 H PHE 76 H PHE 76 -2.700 -4.275 7.536 582 HA PHE 76 HA PHE 76 -0.479 -6.011 7.377 583 HB2 PHE 76 1HB PHE 76 -0.624 -2.992 7.452 584 HB3 PHE 76 2HB PHE 76 0.841 -3.902 7.100 585 HD1 PHE 76 1HD PHE 76 0.187 -5.914 5.274 586 HD2 PHE 76 2HD PHE 76 -1.512 -2.024 5.583 587 HE1 PHE 76 1HE PHE 76 -0.440 -6.003 2.897 588 HE2 PHE 76 2HE PHE 76 -2.143 -2.107 3.207 589 HZ PHE 76 HZ PHE 76 -1.607 -4.098 1.860 590 H ALA 77 H ALA 77 -1.455 -3.610 9.794 591 HA ALA 77 HA ALA 77 0.827 -3.987 11.457 592 HB1 ALA 77 1HB ALA 77 -0.757 -1.976 11.373 593 HB2 ALA 77 2HB ALA 77 -1.811 -2.929 12.419 594 HB3 ALA 77 3HB ALA 77 -0.185 -2.506 12.955 595 H SER 78 H SER 78 -2.035 -5.774 10.958 596 HA SER 78 HA SER 78 -2.335 -6.914 13.538 597 HB2 SER 78 1HB SER 78 -4.187 -7.016 12.008 598 HB3 SER 78 2HB SER 78 -3.215 -7.861 10.803 599 HG SER 78 HG SER 78 -4.401 -9.405 11.835 600 H ILE 79 H ILE 79 -0.708 -8.035 10.587 601 HA ILE 79 HA ILE 79 0.210 -10.476 11.709 602 HB ILE 79 HB ILE 79 1.875 -10.374 9.759 603 HG12 ILE 79 1HG1 ILE 79 0.072 -8.130 8.852 604 HG13 ILE 79 2HG1 ILE 79 1.648 -7.846 9.584 605 HG21 ILE 79 1HG2 ILE 79 -0.924 -10.142 8.764 606 HG22 ILE 79 2HG2 ILE 79 0.318 -11.329 8.369 607 HG23 ILE 79 3HG2 ILE 79 -0.525 -11.416 9.916 608 HD11 ILE 79 1HD1 ILE 79 2.667 -8.203 7.656 609 HD12 ILE 79 2HD1 ILE 79 1.858 -9.757 7.451 610 HD13 ILE 79 3HD1 ILE 79 1.078 -8.276 6.895 611 H GLY 80 H GLY 80 1.551 -7.233 11.501 612 HA2 GLY 80 1HA GLY 80 3.043 -6.941 13.605 613 HA3 GLY 80 2HA GLY 80 4.020 -8.160 12.799 614 H ILE 81 H ILE 81 2.270 -5.527 11.238 615 HA ILE 81 HA ILE 81 4.852 -4.508 10.266 616 HB ILE 81 HB ILE 81 2.091 -4.132 9.097 617 HG12 ILE 81 1HG1 ILE 81 4.443 -5.785 8.152 618 HG13 ILE 81 2HG1 ILE 81 2.946 -6.417 8.828 619 HG21 ILE 81 1HG2 ILE 81 4.374 -3.512 7.405 620 HG22 ILE 81 2HG2 ILE 81 2.909 -2.582 7.716 621 HG23 ILE 81 3HG2 ILE 81 4.274 -2.475 8.828 622 HD11 ILE 81 1HD1 ILE 81 1.796 -6.107 6.914 623 HD12 ILE 81 2HD1 ILE 81 2.693 -4.651 6.478 624 HD13 ILE 81 3HD1 ILE 81 3.408 -6.241 6.212 625 H SER 82 H SER 82 5.391 -3.105 11.911 626 HA SER 82 HA SER 82 3.933 -1.432 13.427 627 HB2 SER 82 1HB SER 82 6.552 -0.815 12.048 628 HB3 SER 82 2HB SER 82 5.860 0.194 13.317 629 HG SER 82 HG SER 82 6.235 -2.567 13.724 630 H ARG 83 H ARG 83 2.837 0.468 13.267 631 HA ARG 83 HA ARG 83 2.049 1.288 10.603 632 HB2 ARG 83 1HB ARG 83 1.153 2.198 13.342 633 HB3 ARG 83 2HB ARG 83 0.480 2.797 11.832 634 HG2 ARG 83 1HG ARG 83 -0.653 0.866 11.406 635 HG3 ARG 83 2HG ARG 83 0.506 -0.137 12.280 636 HD2 ARG 83 1HD ARG 83 -0.453 0.298 14.324 637 HD3 ARG 83 2HD ARG 83 -1.124 1.841 13.799 638 HE ARG 83 HE ARG 83 -2.378 -0.212 12.365 639 HH11 ARG 83 1HH1 ARG 83 -2.175 1.028 15.612 640 HH12 ARG 83 2HH1 ARG 83 -3.764 0.497 16.053 641 HH21 ARG 83 1HH2 ARG 83 -4.472 -0.915 12.934 642 HH22 ARG 83 2HH2 ARG 83 -5.069 -0.609 14.530 643 H LEU 84 H LEU 84 2.867 2.955 9.522 644 HA LEU 84 HA LEU 84 4.521 4.895 10.997 645 HB2 LEU 84 1HB LEU 84 4.700 4.151 8.082 646 HB3 LEU 84 2HB LEU 84 5.784 5.226 8.963 647 HG LEU 84 HG LEU 84 5.522 2.239 9.284 648 HD11 LEU 84 1HD1 LEU 84 6.929 2.401 7.524 649 HD12 LEU 84 2HD1 LEU 84 8.111 2.708 8.795 650 HD13 LEU 84 3HD1 LEU 84 7.400 4.057 7.908 651 HD21 LEU 84 1HD2 LEU 84 7.729 3.132 10.718 652 HD22 LEU 84 2HD2 LEU 84 6.215 2.516 11.379 653 HD23 LEU 84 3HD2 LEU 84 6.435 4.251 11.147 654 H LEU 85 H LEU 85 2.411 4.597 8.142 655 HA LEU 85 HA LEU 85 1.943 7.468 8.151 656 HB2 LEU 85 1HB LEU 85 2.305 6.114 6.056 657 HB3 LEU 85 2HB LEU 85 0.720 5.398 6.340 658 HG LEU 85 HG LEU 85 -0.250 7.704 6.197 659 HD11 LEU 85 1HD1 LEU 85 1.090 9.453 5.164 660 HD12 LEU 85 2HD1 LEU 85 2.505 8.401 5.190 661 HD13 LEU 85 3HD1 LEU 85 1.789 8.953 6.704 662 HD21 LEU 85 1HD2 LEU 85 1.153 6.404 3.890 663 HD22 LEU 85 2HD2 LEU 85 0.187 7.862 3.668 664 HD23 LEU 85 3HD2 LEU 85 -0.563 6.394 4.297 665 H GLU 86 H GLU 86 -0.178 8.383 8.231 666 HA GLU 86 HA GLU 86 -2.052 6.764 9.824 667 HB2 GLU 86 1HB GLU 86 -1.668 9.761 9.750 668 HB3 GLU 86 2HB GLU 86 -2.914 8.935 10.675 669 HG2 GLU 86 1HG GLU 86 -0.074 8.164 11.097 670 HG3 GLU 86 2HG GLU 86 -0.660 9.678 11.784 671 HA PRO 87 HA PRO 87 -5.034 7.030 6.605 672 HB2 PRO 87 1HB PRO 87 -7.308 6.782 8.068 673 HB3 PRO 87 2HB PRO 87 -6.211 5.430 7.759 674 HG2 PRO 87 1HG PRO 87 -6.443 7.165 10.188 675 HG3 PRO 87 2HG PRO 87 -6.240 5.407 10.084 676 HD2 PRO 87 1HD PRO 87 -4.179 7.083 10.613 677 HD3 PRO 87 2HD PRO 87 -3.970 5.564 9.717 678 H SER 88 H SER 88 -5.974 8.878 9.513 679 HA SER 88 HA SER 88 -7.646 10.699 8.191 680 HB2 SER 88 1HB SER 88 -6.064 11.225 10.717 681 HB3 SER 88 2HB SER 88 -7.555 12.022 10.212 682 HG SER 88 HG SER 88 -8.622 10.027 10.443 683 H ASP 89 H ASP 89 -4.218 10.928 9.078 684 HA ASP 89 HA ASP 89 -3.593 13.483 8.415 685 HB2 ASP 89 1HB ASP 89 -2.000 11.703 9.207 686 HB3 ASP 89 2HB ASP 89 -1.923 11.118 7.548 687 H MET 90 H MET 90 -3.726 10.775 6.102 688 HA MET 90 HA MET 90 -3.082 12.105 3.786 689 HB2 MET 90 1HB MET 90 -5.149 9.928 4.144 690 HB3 MET 90 2HB MET 90 -4.458 10.414 2.602 691 HG2 MET 90 1HG MET 90 -2.634 9.579 4.799 692 HG3 MET 90 2HG MET 90 -3.531 8.349 3.911 693 HE1 MET 90 1HE MET 90 -2.435 7.509 1.223 694 HE2 MET 90 2HE MET 90 -0.782 7.445 1.834 695 HE3 MET 90 3HE MET 90 -2.134 7.080 2.907 696 H VAL 91 H VAL 91 -6.191 12.006 5.450 697 HA VAL 91 HA VAL 91 -7.645 13.386 3.431 698 HB VAL 91 HB VAL 91 -8.272 13.134 6.376 699 HG11 VAL 91 1HG1 VAL 91 -10.158 13.700 4.096 700 HG12 VAL 91 2HG1 VAL 91 -10.517 13.719 5.823 701 HG13 VAL 91 3HG1 VAL 91 -9.464 14.951 5.127 702 HG21 VAL 91 1HG2 VAL 91 -8.219 10.940 5.653 703 HG22 VAL 91 2HG2 VAL 91 -9.905 11.373 5.371 704 HG23 VAL 91 3HG2 VAL 91 -8.763 11.351 4.027 705 H LEU 92 H LEU 92 -6.160 14.413 6.491 706 HA LEU 92 HA LEU 92 -6.940 17.066 6.505 707 HB2 LEU 92 1HB LEU 92 -4.236 16.057 7.362 708 HB3 LEU 92 2HB LEU 92 -5.071 17.495 7.946 709 HG LEU 92 HG LEU 92 -5.897 14.635 8.446 710 HD11 LEU 92 1HD1 LEU 92 -4.762 16.712 10.313 711 HD12 LEU 92 2HD1 LEU 92 -3.891 15.317 9.677 712 HD13 LEU 92 3HD1 LEU 92 -5.272 15.080 10.748 713 HD21 LEU 92 1HD2 LEU 92 -7.286 17.194 8.746 714 HD22 LEU 92 2HD2 LEU 92 -7.269 16.203 10.206 715 HD23 LEU 92 3HD2 LEU 92 -7.925 15.550 8.703 716 H LEU 93 H LEU 93 -3.852 15.794 5.246 717 HA LEU 93 HA LEU 93 -3.376 18.282 3.829 718 HB2 LEU 93 1HB LEU 93 -1.237 17.263 3.208 719 HB3 LEU 93 2HB LEU 93 -1.511 17.236 4.948 720 HG LEU 93 HG LEU 93 -2.393 14.790 4.374 721 HD11 LEU 93 1HD1 LEU 93 -0.289 15.289 2.274 722 HD12 LEU 93 2HD1 LEU 93 -2.009 15.067 1.957 723 HD13 LEU 93 3HD1 LEU 93 -1.063 13.749 2.648 724 HD21 LEU 93 1HD2 LEU 93 -0.635 14.186 5.606 725 HD22 LEU 93 2HD2 LEU 93 -0.180 15.890 5.592 726 HD23 LEU 93 3HD2 LEU 93 0.515 14.782 4.409 727 H ALA 94 H ALA 94 -2.933 18.363 1.550 728 HA ALA 94 HA ALA 94 -4.836 16.888 0.012 729 HB1 ALA 94 1HB ALA 94 -4.310 18.301 -1.754 730 HB2 ALA 94 2HB ALA 94 -4.002 19.304 -0.336 731 HB3 ALA 94 3HB ALA 94 -2.657 18.552 -1.193 732 H ILE 95 H ILE 95 -1.335 17.255 -0.563 733 HA ILE 95 HA ILE 95 -1.316 14.520 -1.640 734 HB ILE 95 HB ILE 95 0.714 16.717 -2.057 735 HG12 ILE 95 1HG1 ILE 95 -1.164 17.437 -3.251 736 HG13 ILE 95 2HG1 ILE 95 -0.251 16.535 -4.456 737 HG21 ILE 95 1HG2 ILE 95 0.997 13.973 -2.345 738 HG22 ILE 95 2HG2 ILE 95 0.693 14.556 -3.980 739 HG23 ILE 95 3HG2 ILE 95 2.032 15.218 -3.044 740 HD11 ILE 95 1HD1 ILE 95 -2.509 15.915 -4.708 741 HD12 ILE 95 2HD1 ILE 95 -1.712 14.561 -3.906 742 HD13 ILE 95 3HD1 ILE 95 -2.714 15.673 -2.974 743 HA PRO 96 HA PRO 96 0.920 13.351 2.024 744 HB2 PRO 96 1HB PRO 96 1.391 10.787 1.266 745 HB3 PRO 96 2HB PRO 96 -0.179 11.340 1.860 746 HG2 PRO 96 1HG PRO 96 0.739 10.918 -0.958 747 HG3 PRO 96 2HG PRO 96 -0.807 10.481 -0.208 748 HD2 PRO 96 1HD PRO 96 -0.511 12.681 -1.758 749 HD3 PRO 96 2HD PRO 96 -1.647 12.619 -0.395 750 H ASP 97 H ASP 97 3.058 12.773 2.603 751 HA ASP 97 HA ASP 97 5.056 13.708 0.796 752 HB2 ASP 97 1HB ASP 97 5.070 12.582 3.574 753 HB3 ASP 97 2HB ASP 97 6.588 12.756 2.698 754 H LYS 98 H LYS 98 5.648 12.534 -0.907 755 HA LYS 98 HA LYS 98 5.320 9.871 -1.390 756 HB2 LYS 98 1HB LYS 98 6.099 11.493 -3.070 757 HB3 LYS 98 2HB LYS 98 7.669 11.557 -2.279 758 HG2 LYS 98 1HG LYS 98 7.779 9.037 -2.708 759 HG3 LYS 98 2HG LYS 98 6.440 9.305 -3.826 760 HD2 LYS 98 1HD LYS 98 7.729 10.490 -5.301 761 HD3 LYS 98 2HD LYS 98 8.827 11.068 -4.044 762 HE2 LYS 98 1HE LYS 98 9.948 8.979 -3.946 763 HE3 LYS 98 2HE LYS 98 8.712 8.192 -4.925 764 HZ1 LYS 98 1HZ LYS 98 9.455 10.005 -6.644 765 HZ2 LYS 98 2HZ LYS 98 10.307 8.552 -6.488 766 HZ3 LYS 98 3HZ LYS 98 10.894 9.959 -5.755 767 H LEU 99 H LEU 99 8.245 11.359 -0.002 768 HA LEU 99 HA LEU 99 9.818 9.150 0.343 769 HB2 LEU 99 1HB LEU 99 9.489 11.326 2.399 770 HB3 LEU 99 2HB LEU 99 10.903 10.304 2.151 771 HG LEU 99 HG LEU 99 9.886 12.389 0.220 772 HD11 LEU 99 1HD1 LEU 99 10.804 13.685 1.863 773 HD12 LEU 99 2HD1 LEU 99 12.245 13.328 0.910 774 HD13 LEU 99 3HD1 LEU 99 11.921 12.425 2.390 775 HD21 LEU 99 1HD2 LEU 99 12.321 11.929 -0.647 776 HD22 LEU 99 2HD2 LEU 99 10.972 10.913 -1.158 777 HD23 LEU 99 3HD2 LEU 99 12.064 10.358 0.112 778 H THR 100 H THR 100 7.533 10.408 2.778 779 HA THR 100 HA THR 100 7.785 8.417 4.668 780 HB THR 100 HB THR 100 5.184 9.779 3.947 781 HG1 THR 100 1HG THR 100 5.929 11.296 5.603 782 HG21 THR 100 1HG2 THR 100 4.326 8.949 5.848 783 HG22 THR 100 2HG2 THR 100 5.806 9.261 6.755 784 HG23 THR 100 3HG2 THR 100 5.657 7.794 5.788 785 H VAL 101 H VAL 101 4.987 8.559 2.466 786 HA VAL 101 HA VAL 101 3.911 6.123 2.801 787 HB VAL 101 HB VAL 101 4.355 7.450 0.123 788 HG11 VAL 101 1HG1 VAL 101 3.157 5.853 -0.876 789 HG12 VAL 101 2HG1 VAL 101 3.468 4.880 0.563 790 HG13 VAL 101 3HG1 VAL 101 1.973 5.807 0.430 791 HG21 VAL 101 1HG2 VAL 101 1.771 7.511 1.595 792 HG22 VAL 101 2HG2 VAL 101 3.070 8.571 2.141 793 HG23 VAL 101 3HG2 VAL 101 2.469 8.693 0.488 794 H MET 102 H MET 102 6.473 6.728 0.388 795 HA MET 102 HA MET 102 6.891 4.154 -0.470 796 HB2 MET 102 1HB MET 102 8.745 6.491 -0.147 797 HB3 MET 102 2HB MET 102 9.358 4.946 -0.720 798 HG2 MET 102 1HG MET 102 7.560 5.048 -2.497 799 HG3 MET 102 2HG MET 102 7.316 6.724 -2.009 800 HE1 MET 102 1HE MET 102 9.342 4.816 -4.879 801 HE2 MET 102 2HE MET 102 10.883 4.795 -4.022 802 HE3 MET 102 3HE MET 102 9.460 4.050 -3.294 803 H THR 103 H THR 103 8.278 5.736 2.380 804 HA THR 103 HA THR 103 10.019 3.713 3.183 805 HB THR 103 HB THR 103 8.468 5.636 4.928 806 HG1 THR 103 1HG THR 103 9.839 6.662 3.405 807 HG21 THR 103 1HG2 THR 103 11.102 4.524 5.731 808 HG22 THR 103 2HG2 THR 103 9.693 3.474 5.883 809 HG23 THR 103 3HG2 THR 103 9.734 5.022 6.725 810 H TYR 104 H TYR 104 6.571 4.142 3.813 811 HA TYR 104 HA TYR 104 6.370 1.931 5.609 812 HB2 TYR 104 1HB TYR 104 4.763 3.790 5.653 813 HB3 TYR 104 2HB TYR 104 4.213 3.358 4.038 814 HD1 TYR 104 2HD TYR 104 4.857 1.398 7.160 815 HD2 TYR 104 1HD TYR 104 2.093 2.461 4.104 816 HE1 TYR 104 2HE TYR 104 3.196 -0.128 8.139 817 HE2 TYR 104 1HE TYR 104 0.424 0.938 5.076 818 HH TYR 104 HH TYR 104 0.245 -0.924 6.512 819 H LEU 105 H LEU 105 5.666 2.406 2.169 820 HA LEU 105 HA LEU 105 4.515 -0.050 1.594 821 HB2 LEU 105 1HB LEU 105 6.089 1.929 0.024 822 HB3 LEU 105 2HB LEU 105 5.753 0.357 -0.698 823 HG LEU 105 HG LEU 105 3.592 2.170 0.357 824 HD11 LEU 105 1HD1 LEU 105 3.466 3.305 -1.588 825 HD12 LEU 105 2HD1 LEU 105 4.023 1.937 -2.551 826 HD13 LEU 105 3HD1 LEU 105 5.187 2.924 -1.667 827 HD21 LEU 105 1HD2 LEU 105 2.111 0.679 -0.476 828 HD22 LEU 105 2HD2 LEU 105 3.444 -0.445 -0.208 829 HD23 LEU 105 3HD2 LEU 105 3.160 0.218 -1.818 830 H TYR 106 H TYR 106 7.956 0.852 1.425 831 HA TYR 106 HA TYR 106 9.056 -1.493 0.550 832 HB2 TYR 106 1HB TYR 106 10.089 0.456 2.610 833 HB3 TYR 106 2HB TYR 106 11.057 -0.876 1.986 834 HD1 TYR 106 2HD TYR 106 10.645 -0.945 -0.814 835 HD2 TYR 106 1HD TYR 106 10.786 2.465 1.727 836 HE1 TYR 106 2HE TYR 106 11.330 0.443 -2.725 837 HE2 TYR 106 1HE TYR 106 11.470 3.863 -0.178 838 HH TYR 106 HH TYR 106 12.732 2.815 -2.868 839 H GLN 107 H GLN 107 7.698 -0.807 3.687 840 HA GLN 107 HA GLN 107 8.793 -3.042 5.053 841 HB2 GLN 107 1HB GLN 107 6.177 -1.724 5.745 842 HB3 GLN 107 2HB GLN 107 7.329 -2.498 6.825 843 HG2 GLN 107 1HG GLN 107 8.921 -0.597 5.956 844 HG3 GLN 107 2HG GLN 107 7.393 0.209 5.605 845 HE21 GLN 107 1HE2 GLN 107 5.780 -0.278 7.586 846 HE22 GLN 107 2HE2 GLN 107 6.431 0.208 9.110 847 H ILE 108 H ILE 108 5.481 -2.474 3.850 848 HA ILE 108 HA ILE 108 4.451 -4.994 4.302 849 HB ILE 108 HB ILE 108 3.819 -3.080 2.056 850 HG12 ILE 108 1HG1 ILE 108 1.700 -2.937 3.656 851 HG13 ILE 108 2HG1 ILE 108 2.873 -3.457 4.861 852 HG21 ILE 108 1HG2 ILE 108 3.029 -5.786 2.353 853 HG22 ILE 108 2HG2 ILE 108 1.626 -4.772 2.684 854 HG23 ILE 108 3HG2 ILE 108 2.490 -4.609 1.155 855 HD11 ILE 108 1HD1 ILE 108 3.644 -1.199 3.116 856 HD12 ILE 108 2HD1 ILE 108 2.399 -0.905 4.331 857 HD13 ILE 108 3HD1 ILE 108 3.989 -1.491 4.820 858 H ARG 109 H ARG 109 6.124 -3.809 1.398 859 HA ARG 109 HA ARG 109 5.919 -6.184 -0.091 860 HB2 ARG 109 1HB ARG 109 6.501 -4.270 -1.314 861 HB3 ARG 109 2HB ARG 109 7.780 -3.830 -0.191 862 HG2 ARG 109 1HG ARG 109 8.996 -5.906 -0.959 863 HG3 ARG 109 2HG ARG 109 7.794 -6.017 -2.247 864 HD2 ARG 109 1HD ARG 109 8.413 -3.718 -2.948 865 HD3 ARG 109 2HD ARG 109 9.687 -3.727 -1.729 866 HE ARG 109 HE ARG 109 9.744 -5.001 -4.290 867 HH11 ARG 109 1HH1 ARG 109 10.946 -5.156 -1.027 868 HH12 ARG 109 2HH1 ARG 109 12.380 -6.029 -1.458 869 HH21 ARG 109 1HH2 ARG 109 11.627 -6.149 -4.871 870 HH22 ARG 109 2HH2 ARG 109 12.766 -6.593 -3.645 871 H ALA 110 H ALA 110 8.231 -5.108 2.319 872 HA ALA 110 HA ALA 110 10.145 -7.165 1.858 873 HB1 ALA 110 1HB ALA 110 9.756 -4.996 3.786 874 HB2 ALA 110 2HB ALA 110 10.569 -6.416 4.444 875 HB3 ALA 110 3HB ALA 110 11.233 -5.595 3.031 876 H HIS 111 H HIS 111 7.646 -6.717 4.359 877 HA HIS 111 HA HIS 111 8.000 -8.969 5.860 878 HB2 HIS 111 1HB HIS 111 6.306 -7.253 6.348 879 HB3 HIS 111 2HB HIS 111 5.341 -7.818 4.987 880 HD1 HIS 111 1HD HIS 111 6.087 -8.500 8.534 881 HD2 HIS 111 2HD HIS 111 4.131 -10.383 5.389 882 HE1 HIS 111 1HE HIS 111 4.722 -10.329 9.590 883 HE2 HIS 111 2HE HIS 111 3.614 -11.508 7.660 884 H PHE 112 H PHE 112 6.141 -8.732 2.841 885 HA PHE 112 HA PHE 112 5.518 -11.528 2.801 886 HB2 PHE 112 1HB PHE 112 5.265 -9.364 0.707 887 HB3 PHE 112 2HB PHE 112 4.721 -11.021 0.466 888 HD1 PHE 112 1HD PHE 112 3.181 -11.903 2.480 889 HD2 PHE 112 2HD PHE 112 3.684 -7.835 1.331 890 HE1 PHE 112 1HE PHE 112 1.022 -11.345 3.520 891 HE2 PHE 112 2HE PHE 112 1.527 -7.271 2.370 892 HZ PHE 112 HZ PHE 112 0.193 -9.027 3.468 893 H SER 113 H SER 113 7.553 -9.482 0.702 894 HA SER 113 HA SER 113 9.127 -11.888 0.054 895 HB2 SER 113 1HB SER 113 8.138 -11.151 -1.965 896 HB3 SER 113 2HB SER 113 8.454 -9.456 -1.596 897 HG SER 113 HG SER 113 10.646 -11.168 -1.775 898 H SER 114 H SER 114 11.077 -11.929 0.931 899 HA SER 114 HA SER 114 12.306 -9.423 1.814 900 HB2 SER 114 1HB SER 114 13.048 -12.290 2.445 901 HB3 SER 114 2HB SER 114 13.804 -10.859 3.143 902 HG SER 114 HG SER 114 12.302 -11.168 4.605 903 H GLY 115 H GLY 115 14.832 -9.542 1.718 904 HA2 GLY 115 1HA GLY 115 15.534 -9.491 -1.037 905 HA3 GLY 115 2HA GLY 115 16.635 -9.274 0.316 906 HA PRO 116 HA PRO 116 17.863 -13.201 -1.733 907 HB2 PRO 116 1HB PRO 116 20.525 -12.804 -1.374 908 HB3 PRO 116 2HB PRO 116 19.630 -12.136 -2.744 909 HG2 PRO 116 1HG PRO 116 20.459 -10.807 -0.192 910 HG3 PRO 116 2HG PRO 116 20.523 -10.183 -1.851 911 HD2 PRO 116 1HD PRO 116 18.561 -9.502 -0.113 912 HD3 PRO 116 2HD PRO 116 18.286 -9.627 -1.863 913 H SER 117 H SER 117 18.255 -15.100 -0.721 914 HA SER 117 HA SER 117 18.243 -15.178 2.127 915 HB2 SER 117 1HB SER 117 18.682 -17.399 0.117 916 HB3 SER 117 2HB SER 117 18.377 -17.631 1.838 917 HG SER 117 HG SER 117 16.595 -17.409 -0.062 918 H SER 118 H SER 118 19.832 -16.480 3.391 919 HA SER 118 HA SER 118 22.563 -16.344 2.344 920 HB2 SER 118 1HB SER 118 22.047 -14.244 3.645 921 HB3 SER 118 2HB SER 118 21.839 -15.259 5.072 922 HG SER 118 HG SER 118 24.188 -15.509 3.569 923 H GLY 119 H GLY 119 23.975 -17.853 3.197 924 HA2 GLY 119 1HA GLY 119 22.730 -20.150 4.413 925 HA3 GLY 119 2HA GLY 119 24.412 -20.010 3.923 Start of MODEL 19 1 H1 GLY 1 H GLY 1 24.422 -4.245 -16.839 2 HA2 GLY 1 1HA GLY 1 23.804 -7.094 -16.949 3 HA3 GLY 1 2HA GLY 1 22.785 -5.834 -16.270 4 H SER 2 H SER 2 21.860 -7.879 -17.977 5 HA SER 2 HA SER 2 20.844 -6.233 -20.173 6 HB2 SER 2 1HB SER 2 22.145 -8.941 -20.475 7 HB3 SER 2 2HB SER 2 21.059 -8.269 -21.692 8 HG SER 2 HG SER 2 22.523 -6.400 -21.670 9 H SER 3 H SER 3 18.704 -6.339 -20.275 10 HA SER 3 HA SER 3 16.563 -6.917 -19.723 11 HB2 SER 3 1HB SER 3 17.540 -9.705 -20.375 12 HB3 SER 3 2HB SER 3 15.884 -9.108 -20.485 13 HG SER 3 HG SER 3 17.069 -7.471 -21.976 14 H GLY 4 H GLY 4 18.129 -6.660 -17.460 15 HA2 GLY 4 1HA GLY 4 16.618 -7.780 -15.462 16 HA3 GLY 4 2HA GLY 4 17.901 -8.946 -15.749 17 H SER 5 H SER 5 17.673 -7.788 -13.293 18 HA SER 5 HA SER 5 20.172 -6.294 -13.146 19 HB2 SER 5 1HB SER 5 19.220 -4.572 -11.681 20 HB3 SER 5 2HB SER 5 18.423 -4.558 -13.254 21 HG SER 5 HG SER 5 16.846 -6.027 -12.126 22 H SER 6 H SER 6 21.406 -7.218 -11.663 23 HA SER 6 HA SER 6 20.462 -9.235 -9.921 24 HB2 SER 6 1HB SER 6 23.084 -7.738 -10.052 25 HB3 SER 6 2HB SER 6 22.785 -9.053 -8.915 26 HG SER 6 HG SER 6 22.076 -10.130 -11.070 27 H GLY 7 H GLY 7 18.908 -8.531 -8.511 28 HA2 GLY 7 1HA GLY 7 18.630 -7.922 -6.197 29 HA3 GLY 7 2HA GLY 7 19.851 -6.679 -6.423 30 HA PRO 8 HA PRO 8 15.367 -5.323 -7.773 31 HB2 PRO 8 1HB PRO 8 13.790 -5.516 -5.571 32 HB3 PRO 8 2HB PRO 8 13.912 -6.799 -6.781 33 HG2 PRO 8 1HG PRO 8 15.276 -6.563 -4.127 34 HG3 PRO 8 2HG PRO 8 14.519 -7.982 -4.873 35 HD2 PRO 8 1HD PRO 8 17.197 -7.584 -4.886 36 HD3 PRO 8 2HD PRO 8 16.349 -8.414 -6.206 37 H ASN 9 H ASN 9 17.665 -4.650 -5.510 38 HA ASN 9 HA ASN 9 16.672 -2.568 -3.970 39 HB2 ASN 9 1HB ASN 9 19.013 -3.717 -3.979 40 HB3 ASN 9 2HB ASN 9 19.443 -2.443 -5.117 41 HD21 ASN 9 1HD2 ASN 9 19.037 -0.215 -4.401 42 HD22 ASN 9 2HD2 ASN 9 19.268 0.163 -2.731 43 H ALA 10 H ALA 10 15.187 -1.444 -5.337 44 HA ALA 10 HA ALA 10 16.258 0.922 -6.462 45 HB1 ALA 10 1HB ALA 10 15.063 -0.970 -8.481 46 HB2 ALA 10 2HB ALA 10 15.728 0.636 -8.782 47 HB3 ALA 10 3HB ALA 10 16.792 -0.681 -8.289 48 H SER 11 H SER 11 14.501 2.245 -7.548 49 HA SER 11 HA SER 11 12.193 2.221 -5.869 50 HB2 SER 11 1HB SER 11 12.751 3.881 -8.339 51 HB3 SER 11 2HB SER 11 11.499 4.200 -7.139 52 HG SER 11 HG SER 11 14.285 4.119 -6.597 53 H GLN 12 H GLN 12 12.634 1.797 -9.380 54 HA GLN 12 HA GLN 12 10.049 1.309 -10.140 55 HB2 GLN 12 1HB GLN 12 11.804 1.448 -11.778 56 HB3 GLN 12 2HB GLN 12 12.590 0.014 -11.132 57 HG2 GLN 12 1HG GLN 12 10.441 -1.221 -11.750 58 HG3 GLN 12 2HG GLN 12 10.051 0.206 -12.709 59 HE21 GLN 12 1HE2 GLN 12 10.767 -2.656 -13.357 60 HE22 GLN 12 2HE2 GLN 12 12.015 -2.521 -14.544 61 H SER 13 H SER 13 12.380 -1.073 -8.903 62 HA SER 13 HA SER 13 11.052 -3.411 -9.118 63 HB2 SER 13 1HB SER 13 12.822 -2.295 -6.998 64 HB3 SER 13 2HB SER 13 11.965 -3.794 -6.635 65 HG SER 13 HG SER 13 13.530 -3.391 -8.966 66 H LEU 14 H LEU 14 10.659 -1.277 -6.283 67 HA LEU 14 HA LEU 14 8.539 -2.647 -5.114 68 HB2 LEU 14 1HB LEU 14 9.620 -1.038 -3.803 69 HB3 LEU 14 2HB LEU 14 9.413 0.220 -5.020 70 HG LEU 14 HG LEU 14 6.908 0.040 -4.513 71 HD11 LEU 14 1HD1 LEU 14 7.572 -0.863 -1.799 72 HD12 LEU 14 2HD1 LEU 14 7.627 -2.115 -3.040 73 HD13 LEU 14 3HD1 LEU 14 6.150 -1.185 -2.792 74 HD21 LEU 14 1HD2 LEU 14 7.693 2.022 -3.764 75 HD22 LEU 14 2HD2 LEU 14 9.058 1.290 -2.920 76 HD23 LEU 14 3HD2 LEU 14 7.452 1.268 -2.188 77 H LEU 15 H LEU 15 8.459 0.093 -7.378 78 HA LEU 15 HA LEU 15 5.741 0.531 -7.498 79 HB2 LEU 15 1HB LEU 15 7.456 1.901 -8.619 80 HB3 LEU 15 2HB LEU 15 7.678 0.618 -9.808 81 HG LEU 15 HG LEU 15 5.191 0.965 -10.353 82 HD11 LEU 15 1HD1 LEU 15 4.105 2.865 -9.669 83 HD12 LEU 15 2HD1 LEU 15 5.602 3.729 -9.319 84 HD13 LEU 15 3HD1 LEU 15 5.031 2.474 -8.219 85 HD21 LEU 15 1HD2 LEU 15 6.397 3.428 -11.239 86 HD22 LEU 15 2HD2 LEU 15 5.993 1.979 -12.160 87 HD23 LEU 15 3HD2 LEU 15 7.547 2.095 -11.332 88 H VAL 16 H VAL 16 7.650 -1.937 -9.140 89 HA VAL 16 HA VAL 16 5.465 -2.924 -10.707 90 HB VAL 16 HB VAL 16 8.055 -4.324 -10.032 91 HG11 VAL 16 1HG1 VAL 16 7.219 -5.054 -12.571 92 HG12 VAL 16 2HG1 VAL 16 7.102 -6.030 -11.105 93 HG13 VAL 16 3HG1 VAL 16 5.736 -5.037 -11.618 94 HG21 VAL 16 1HG2 VAL 16 7.997 -1.950 -11.223 95 HG22 VAL 16 2HG2 VAL 16 9.127 -3.215 -11.708 96 HG23 VAL 16 3HG2 VAL 16 7.647 -2.952 -12.631 97 H TRP 17 H TRP 17 7.182 -4.124 -7.828 98 HA TRP 17 HA TRP 17 5.977 -6.473 -7.314 99 HB2 TRP 17 1HB TRP 17 7.638 -5.410 -5.824 100 HB3 TRP 17 2HB TRP 17 6.396 -4.304 -5.246 101 HD1 TRP 17 HD TRP 17 7.589 -7.906 -4.913 102 HE1 TRP 17 1HE TRP 17 6.366 -9.009 -2.935 103 HE3 TRP 17 3HE TRP 17 4.185 -4.226 -3.910 104 HZ2 TRP 17 2HZ TRP 17 4.240 -8.399 -1.181 105 HZ3 TRP 17 3HZ TRP 17 2.592 -4.564 -2.065 106 HH2 TRP 17 HH TRP 17 2.620 -6.608 -0.731 107 H CYS 18 H CYS 18 4.567 -3.302 -6.548 108 HA CYS 18 HA CYS 18 2.176 -4.297 -5.434 109 HB2 CYS 18 1HB CYS 18 2.477 -1.645 -6.842 110 HB3 CYS 18 2HB CYS 18 1.360 -2.056 -5.547 111 HG CYS 18 HG CYS 18 2.991 -1.723 -3.524 112 H LYS 19 H LYS 19 2.435 -2.538 -8.519 113 HA LYS 19 HA LYS 19 0.055 -3.095 -9.642 114 HB2 LYS 19 1HB LYS 19 2.739 -3.160 -11.031 115 HB3 LYS 19 2HB LYS 19 1.195 -3.081 -11.869 116 HG2 LYS 19 1HG LYS 19 0.768 -0.917 -11.142 117 HG3 LYS 19 2HG LYS 19 1.931 -1.029 -9.819 118 HD2 LYS 19 1HD LYS 19 3.711 -0.572 -11.164 119 HD3 LYS 19 2HD LYS 19 2.980 -1.340 -12.575 120 HE2 LYS 19 1HE LYS 19 1.451 0.571 -12.800 121 HE3 LYS 19 2HE LYS 19 2.220 1.338 -11.411 122 HZ1 LYS 19 1HZ LYS 19 4.310 0.786 -13.031 123 HZ2 LYS 19 2HZ LYS 19 3.532 2.284 -12.927 124 HZ3 LYS 19 3HZ LYS 19 3.102 1.191 -14.144 125 H GLU 20 H GLU 20 2.682 -5.360 -9.218 126 HA GLU 20 HA GLU 20 1.741 -7.394 -10.931 127 HB2 GLU 20 1HB GLU 20 4.027 -7.080 -9.633 128 HB3 GLU 20 2HB GLU 20 3.222 -8.082 -8.433 129 HG2 GLU 20 1HG GLU 20 2.740 -9.675 -10.388 130 HG3 GLU 20 2HG GLU 20 3.982 -8.763 -11.245 131 H VAL 21 H VAL 21 1.459 -7.053 -7.393 132 HA VAL 21 HA VAL 21 -0.265 -9.271 -7.065 133 HB VAL 21 HB VAL 21 -0.470 -8.660 -4.826 134 HG11 VAL 21 1HG1 VAL 21 2.000 -7.165 -4.923 135 HG12 VAL 21 2HG1 VAL 21 1.694 -8.796 -4.324 136 HG13 VAL 21 3HG1 VAL 21 2.032 -8.532 -6.035 137 HG21 VAL 21 1HG2 VAL 21 0.327 -6.122 -4.327 138 HG22 VAL 21 2HG2 VAL 21 -0.453 -5.920 -5.896 139 HG23 VAL 21 3HG2 VAL 21 -1.354 -6.607 -4.545 140 H THR 22 H THR 22 -0.800 -6.017 -8.057 141 HA THR 22 HA THR 22 -3.711 -6.383 -7.782 142 HB THR 22 HB THR 22 -3.885 -3.911 -7.982 143 HG1 THR 22 1HG THR 22 -1.050 -4.125 -7.970 144 HG21 THR 22 1HG2 THR 22 -2.715 -3.438 -5.725 145 HG22 THR 22 2HG2 THR 22 -2.314 -5.156 -5.750 146 HG23 THR 22 3HG2 THR 22 -4.001 -4.643 -5.771 147 H LYS 23 H LYS 23 -1.843 -7.302 -9.950 148 HA LYS 23 HA LYS 23 -2.296 -5.704 -12.252 149 HB2 LYS 23 1HB LYS 23 -1.402 -7.558 -13.509 150 HB3 LYS 23 2HB LYS 23 -0.455 -7.361 -12.039 151 HG2 LYS 23 1HG LYS 23 -1.670 -9.211 -11.005 152 HG3 LYS 23 2HG LYS 23 -2.620 -9.409 -12.480 153 HD2 LYS 23 1HD LYS 23 -0.867 -10.308 -13.650 154 HD3 LYS 23 2HD LYS 23 0.348 -9.456 -12.696 155 HE2 LYS 23 1HE LYS 23 -0.439 -10.971 -10.761 156 HE3 LYS 23 2HE LYS 23 -1.167 -11.956 -12.028 157 HZ1 LYS 23 1HZ LYS 23 1.166 -11.843 -13.072 158 HZ2 LYS 23 2HZ LYS 23 0.910 -12.892 -11.770 159 HZ3 LYS 23 3HZ LYS 23 1.683 -11.408 -11.521 160 H ASN 24 H ASN 24 -4.108 -8.211 -10.656 161 HA ASN 24 HA ASN 24 -6.061 -8.220 -12.855 162 HB2 ASN 24 1HB ASN 24 -5.504 -10.205 -10.652 163 HB3 ASN 24 2HB ASN 24 -6.957 -10.277 -11.643 164 HD21 ASN 24 1HD2 ASN 24 -6.335 -9.966 -14.097 165 HD22 ASN 24 2HD2 ASN 24 -5.094 -11.037 -14.642 166 H TYR 25 H TYR 25 -6.031 -5.987 -11.226 167 HA TYR 25 HA TYR 25 -8.452 -6.358 -9.587 168 HB2 TYR 25 1HB TYR 25 -6.031 -4.639 -9.184 169 HB3 TYR 25 2HB TYR 25 -7.576 -4.138 -8.507 170 HD1 TYR 25 2HD TYR 25 -5.737 -7.389 -8.760 171 HD2 TYR 25 1HD TYR 25 -7.730 -4.585 -6.257 172 HE1 TYR 25 2HE TYR 25 -5.357 -8.857 -6.823 173 HE2 TYR 25 1HE TYR 25 -7.355 -6.044 -4.313 174 HH TYR 25 HH TYR 25 -5.260 -8.169 -3.986 175 H ARG 26 H ARG 26 -9.598 -4.122 -9.299 176 HA ARG 26 HA ARG 26 -9.809 -2.881 -11.965 177 HB2 ARG 26 1HB ARG 26 -11.928 -3.630 -9.968 178 HB3 ARG 26 2HB ARG 26 -12.222 -2.389 -11.179 179 HG2 ARG 26 1HG ARG 26 -11.285 -5.144 -11.911 180 HG3 ARG 26 2HG ARG 26 -12.993 -4.743 -11.720 181 HD2 ARG 26 1HD ARG 26 -11.123 -3.261 -13.558 182 HD3 ARG 26 2HD ARG 26 -12.120 -4.621 -14.071 183 HE ARG 26 HE ARG 26 -13.780 -2.743 -12.840 184 HH11 ARG 26 1HH1 ARG 26 -11.799 -3.051 -15.686 185 HH12 ARG 26 2HH1 ARG 26 -12.764 -1.968 -16.634 186 HH21 ARG 26 1HH2 ARG 26 -15.058 -1.315 -14.077 187 HH22 ARG 26 2HH2 ARG 26 -14.617 -0.980 -15.717 188 H GLY 27 H GLY 27 -9.142 -0.844 -11.988 189 HA2 GLY 27 1HA GLY 27 -9.180 1.415 -11.380 190 HA3 GLY 27 2HA GLY 27 -9.944 0.970 -9.862 191 H VAL 28 H VAL 28 -7.071 -0.664 -10.937 192 HA VAL 28 HA VAL 28 -5.566 0.690 -8.796 193 HB VAL 28 HB VAL 28 -4.964 -2.039 -9.931 194 HG11 VAL 28 1HG1 VAL 28 -4.023 -1.900 -7.351 195 HG12 VAL 28 2HG1 VAL 28 -3.060 -1.684 -8.815 196 HG13 VAL 28 3HG1 VAL 28 -3.716 -0.279 -7.973 197 HG21 VAL 28 1HG2 VAL 28 -6.626 -1.285 -7.534 198 HG22 VAL 28 2HG2 VAL 28 -7.135 -2.207 -8.948 199 HG23 VAL 28 3HG2 VAL 28 -5.979 -2.902 -7.812 200 H LYS 29 H LYS 29 -4.416 2.259 -9.766 201 HA LYS 29 HA LYS 29 -2.571 1.444 -11.900 202 HB2 LYS 29 1HB LYS 29 -2.917 3.693 -12.961 203 HB3 LYS 29 2HB LYS 29 -4.298 2.609 -13.072 204 HG2 LYS 29 1HG LYS 29 -5.475 3.793 -11.391 205 HG3 LYS 29 2HG LYS 29 -4.043 4.726 -10.954 206 HD2 LYS 29 1HD LYS 29 -5.170 4.858 -13.727 207 HD3 LYS 29 2HD LYS 29 -5.857 5.834 -12.427 208 HE2 LYS 29 1HE LYS 29 -4.301 7.301 -13.225 209 HE3 LYS 29 2HE LYS 29 -3.320 6.453 -12.031 210 HZ1 LYS 29 1HZ LYS 29 -2.000 5.653 -13.611 211 HZ2 LYS 29 2HZ LYS 29 -2.729 6.748 -14.674 212 HZ3 LYS 29 3HZ LYS 29 -3.296 5.157 -14.580 213 H ILE 30 H ILE 30 -1.218 1.297 -9.906 214 HA ILE 30 HA ILE 30 -0.521 3.525 -8.361 215 HB ILE 30 HB ILE 30 1.262 1.193 -9.070 216 HG12 ILE 30 1HG1 ILE 30 0.350 0.567 -6.636 217 HG13 ILE 30 2HG1 ILE 30 -1.038 1.491 -7.202 218 HG21 ILE 30 1HG2 ILE 30 1.500 2.365 -6.418 219 HG22 ILE 30 2HG2 ILE 30 2.748 1.969 -7.598 220 HG23 ILE 30 3HG2 ILE 30 1.884 3.502 -7.710 221 HD11 ILE 30 1HD1 ILE 30 -0.223 -0.337 -9.237 222 HD12 ILE 30 2HD1 ILE 30 -0.425 -1.196 -7.709 223 HD13 ILE 30 3HD1 ILE 30 -1.754 -0.241 -8.366 224 H THR 31 H THR 31 -0.456 5.177 -10.062 225 HA THR 31 HA THR 31 1.846 5.152 -11.831 226 HB THR 31 HB THR 31 -0.223 6.043 -12.729 227 HG1 THR 31 1HG THR 31 1.497 7.083 -13.616 228 HG21 THR 31 1HG2 THR 31 -0.051 8.017 -10.452 229 HG22 THR 31 2HG2 THR 31 -1.317 6.823 -10.736 230 HG23 THR 31 3HG2 THR 31 -1.133 8.190 -11.833 231 H ASN 32 H ASN 32 1.009 6.336 -8.725 232 HA ASN 32 HA ASN 32 3.602 7.678 -8.547 233 HB2 ASN 32 1HB ASN 32 1.125 8.959 -7.398 234 HB3 ASN 32 2HB ASN 32 2.731 9.661 -7.572 235 HD21 ASN 32 1HD2 ASN 32 -0.123 10.208 -8.615 236 HD22 ASN 32 2HD2 ASN 32 0.137 10.552 -10.288 237 H PHE 33 H PHE 33 3.744 8.490 -6.063 238 HA PHE 33 HA PHE 33 2.890 6.219 -4.393 239 HB2 PHE 33 1HB PHE 33 5.589 7.453 -4.724 240 HB3 PHE 33 2HB PHE 33 5.137 6.845 -3.135 241 HD1 PHE 33 2HD PHE 33 4.040 4.411 -3.215 242 HD2 PHE 33 1HD PHE 33 6.695 6.024 -6.126 243 HE1 PHE 33 2HE PHE 33 4.652 2.133 -3.914 244 HE2 PHE 33 1HE PHE 33 7.311 3.748 -6.830 245 HZ PHE 33 HZ PHE 33 6.290 1.799 -5.722 246 H THR 34 H THR 34 1.928 9.068 -4.861 247 HA THR 34 HA THR 34 1.901 9.859 -2.023 248 HB THR 34 HB THR 34 1.488 12.244 -3.127 249 HG1 THR 34 1HG THR 34 3.339 11.102 -4.953 250 HG21 THR 34 1HG2 THR 34 3.299 12.549 -1.863 251 HG22 THR 34 2HG2 THR 34 4.284 12.032 -3.232 252 HG23 THR 34 3HG2 THR 34 3.757 10.854 -2.030 253 H THR 35 H THR 35 0.240 10.675 -5.077 254 HA THR 35 HA THR 35 -2.280 10.923 -3.654 255 HB THR 35 HB THR 35 -3.196 11.601 -5.871 256 HG1 THR 35 1HG THR 35 -1.461 10.358 -7.018 257 HG21 THR 35 1HG2 THR 35 -2.357 13.755 -5.759 258 HG22 THR 35 2HG2 THR 35 -0.716 13.209 -5.413 259 HG23 THR 35 3HG2 THR 35 -1.954 13.132 -4.159 260 H SER 36 H SER 36 -0.569 8.508 -5.277 261 HA SER 36 HA SER 36 -2.779 7.084 -6.402 262 HB2 SER 36 1HB SER 36 -0.704 6.610 -7.408 263 HB3 SER 36 2HB SER 36 0.100 6.389 -5.854 264 HG SER 36 HG SER 36 -2.023 4.687 -6.451 265 H TRP 37 H TRP 37 -1.351 7.303 -3.274 266 HA TRP 37 HA TRP 37 -3.004 5.041 -2.359 267 HB2 TRP 37 1HB TRP 37 -0.597 6.110 -0.891 268 HB3 TRP 37 2HB TRP 37 -1.426 4.574 -0.654 269 HD1 TRP 37 HD TRP 37 0.731 6.321 -3.364 270 HE1 TRP 37 1HE TRP 37 2.078 4.505 -4.594 271 HE3 TRP 37 3HE TRP 37 -1.189 2.183 -1.056 272 HZ2 TRP 37 2HZ TRP 37 2.297 1.691 -4.587 273 HZ3 TRP 37 3HZ TRP 37 -0.357 -0.034 -1.726 274 HH2 TRP 37 HH TRP 37 1.349 -0.273 -3.455 275 H ARG 38 H ARG 38 -2.683 8.361 -2.334 276 HA ARG 38 HA ARG 38 -3.210 9.280 0.169 277 HB2 ARG 38 1HB ARG 38 -3.073 10.949 -1.432 278 HB3 ARG 38 2HB ARG 38 -4.183 10.134 -2.525 279 HG2 ARG 38 1HG ARG 38 -6.063 10.849 -1.340 280 HG3 ARG 38 2HG ARG 38 -5.115 11.259 0.090 281 HD2 ARG 38 1HD ARG 38 -3.972 13.007 -1.354 282 HD3 ARG 38 2HD ARG 38 -5.239 12.707 -2.543 283 HE ARG 38 HE ARG 38 -5.476 14.194 -0.111 284 HH11 ARG 38 1HH1 ARG 38 -7.208 12.226 -2.401 285 HH12 ARG 38 2HH1 ARG 38 -8.750 12.927 -2.035 286 HH21 ARG 38 1HH2 ARG 38 -7.499 15.125 0.380 287 HH22 ARG 38 2HH2 ARG 38 -8.914 14.576 -0.453 288 H ASN 39 H ASN 39 -5.485 7.700 -2.015 289 HA ASN 39 HA ASN 39 -7.726 8.059 -0.248 290 HB2 ASN 39 1HB ASN 39 -8.650 6.208 -1.920 291 HB3 ASN 39 2HB ASN 39 -8.507 7.896 -2.400 292 HD21 ASN 39 1HD2 ASN 39 -8.483 6.986 -4.562 293 HD22 ASN 39 2HD2 ASN 39 -6.987 6.427 -5.221 294 H GLY 40 H GLY 40 -5.633 5.345 -1.186 295 HA2 GLY 40 1HA GLY 40 -4.914 3.801 0.552 296 HA3 GLY 40 2HA GLY 40 -6.507 3.969 1.275 297 H LEU 41 H LEU 41 -6.227 3.684 -2.165 298 HA LEU 41 HA LEU 41 -7.839 1.325 -2.178 299 HB2 LEU 41 1HB LEU 41 -6.444 2.880 -4.341 300 HB3 LEU 41 2HB LEU 41 -7.376 1.421 -4.671 301 HG LEU 41 HG LEU 41 -8.426 4.018 -3.552 302 HD11 LEU 41 1HD1 LEU 41 -7.920 4.028 -5.961 303 HD12 LEU 41 2HD1 LEU 41 -9.647 4.164 -5.633 304 HD13 LEU 41 3HD1 LEU 41 -8.971 2.626 -6.171 305 HD21 LEU 41 1HD2 LEU 41 -9.807 1.387 -4.059 306 HD22 LEU 41 2HD2 LEU 41 -10.645 2.912 -3.771 307 HD23 LEU 41 3HD2 LEU 41 -9.621 2.217 -2.514 308 H SER 42 H SER 42 -4.720 1.839 -3.821 309 HA SER 42 HA SER 42 -4.013 -0.733 -4.303 310 HB2 SER 42 1HB SER 42 -2.194 1.512 -3.401 311 HB3 SER 42 2HB SER 42 -1.629 0.001 -4.115 312 HG SER 42 HG SER 42 -3.462 1.755 -5.383 313 H PHE 43 H PHE 43 -3.443 1.020 -1.270 314 HA PHE 43 HA PHE 43 -2.030 -0.901 0.123 315 HB2 PHE 43 1HB PHE 43 -3.897 1.285 0.934 316 HB3 PHE 43 2HB PHE 43 -3.376 0.129 2.155 317 HD1 PHE 43 2HD PHE 43 -0.627 -0.390 1.571 318 HD2 PHE 43 1HD PHE 43 -2.784 3.265 1.249 319 HE1 PHE 43 2HE PHE 43 1.467 0.867 1.868 320 HE2 PHE 43 1HE PHE 43 -0.693 4.529 1.544 321 HZ PHE 43 HZ PHE 43 1.436 3.330 1.855 322 H CYS 44 H CYS 44 -5.550 -0.532 -0.144 323 HA CYS 44 HA CYS 44 -6.108 -2.831 1.465 324 HB2 CYS 44 1HB CYS 44 -7.797 -1.095 -0.329 325 HB3 CYS 44 2HB CYS 44 -8.452 -2.514 0.480 326 HG CYS 44 HG CYS 44 -7.606 0.485 1.762 327 H ALA 45 H ALA 45 -5.606 -2.227 -1.928 328 HA ALA 45 HA ALA 45 -6.748 -4.630 -2.915 329 HB1 ALA 45 1HB ALA 45 -6.009 -3.974 -4.978 330 HB2 ALA 45 2HB ALA 45 -6.006 -2.422 -4.139 331 HB3 ALA 45 3HB ALA 45 -4.499 -3.313 -4.350 332 H ILE 46 H ILE 46 -3.448 -3.715 -2.000 333 HA ILE 46 HA ILE 46 -2.143 -6.051 -2.793 334 HB ILE 46 HB ILE 46 -1.526 -4.112 -0.571 335 HG12 ILE 46 1HG1 ILE 46 0.050 -4.546 -3.089 336 HG13 ILE 46 2HG1 ILE 46 -1.401 -3.550 -3.113 337 HG21 ILE 46 1HG2 ILE 46 0.155 -6.414 -1.554 338 HG22 ILE 46 2HG2 ILE 46 0.703 -5.147 -0.457 339 HG23 ILE 46 3HG2 ILE 46 -0.575 -6.255 0.043 340 HD11 ILE 46 1HD1 ILE 46 1.257 -2.931 -2.166 341 HD12 ILE 46 2HD1 ILE 46 -0.091 -1.857 -2.544 342 HD13 ILE 46 3HD1 ILE 46 0.026 -2.597 -0.948 343 H LEU 47 H LEU 47 -3.323 -5.200 0.466 344 HA LEU 47 HA LEU 47 -2.775 -7.663 1.664 345 HB2 LEU 47 1HB LEU 47 -3.306 -5.609 2.898 346 HB3 LEU 47 2HB LEU 47 -4.972 -5.708 2.331 347 HG LEU 47 HG LEU 47 -5.238 -7.821 3.584 348 HD11 LEU 47 1HD1 LEU 47 -3.239 -7.841 5.437 349 HD12 LEU 47 2HD1 LEU 47 -2.363 -7.441 3.961 350 HD13 LEU 47 3HD1 LEU 47 -3.337 -8.909 4.037 351 HD21 LEU 47 1HD2 LEU 47 -5.523 -6.813 5.693 352 HD22 LEU 47 2HD2 LEU 47 -5.740 -5.515 4.518 353 HD23 LEU 47 3HD2 LEU 47 -4.222 -5.657 5.407 354 H HIS 48 H HIS 48 -5.383 -6.660 -0.394 355 HA HIS 48 HA HIS 48 -7.113 -8.861 0.264 356 HB2 HIS 48 1HB HIS 48 -7.966 -6.677 -0.572 357 HB3 HIS 48 2HB HIS 48 -7.213 -7.012 -2.128 358 HD1 HIS 48 1HD HIS 48 -8.138 -9.338 -3.284 359 HD2 HIS 48 2HD HIS 48 -10.525 -7.538 -0.398 360 HE1 HIS 48 1HE HIS 48 -10.441 -10.288 -3.628 361 HE2 HIS 48 2HE HIS 48 -11.885 -9.121 -1.926 362 H HIS 49 H HIS 49 -4.403 -8.402 -1.756 363 HA HIS 49 HA HIS 49 -5.003 -10.303 -3.776 364 HB2 HIS 49 1HB HIS 49 -3.263 -8.553 -4.012 365 HB3 HIS 49 2HB HIS 49 -2.293 -9.379 -2.797 366 HD1 HIS 49 1HD HIS 49 -3.987 -10.477 -6.035 367 HD2 HIS 49 2HD HIS 49 -0.374 -10.821 -4.012 368 HE1 HIS 49 1HE HIS 49 -2.520 -11.885 -7.514 369 HE2 HIS 49 2HE HIS 49 -0.369 -12.151 -6.231 370 H PHE 50 H PHE 50 -3.028 -10.499 -0.821 371 HA PHE 50 HA PHE 50 -2.436 -13.259 -1.119 372 HB2 PHE 50 1HB PHE 50 -2.415 -11.662 1.446 373 HB3 PHE 50 2HB PHE 50 -1.512 -13.133 1.101 374 HD1 PHE 50 2HD PHE 50 -1.804 -9.545 0.310 375 HD2 PHE 50 1HD PHE 50 0.565 -13.065 -0.024 376 HE1 PHE 50 2HE PHE 50 0.092 -8.190 -0.479 377 HE2 PHE 50 1HE PHE 50 2.466 -11.715 -0.812 378 HZ PHE 50 HZ PHE 50 2.230 -9.274 -1.042 379 H ARG 51 H ARG 51 -4.704 -11.526 1.013 380 HA ARG 51 HA ARG 51 -6.341 -13.965 1.108 381 HB2 ARG 51 1HB ARG 51 -5.177 -12.434 3.364 382 HB3 ARG 51 2HB ARG 51 -6.847 -12.955 3.551 383 HG2 ARG 51 1HG ARG 51 -4.866 -14.964 2.634 384 HG3 ARG 51 2HG ARG 51 -4.813 -14.452 4.322 385 HD2 ARG 51 1HD ARG 51 -7.452 -15.168 3.156 386 HD3 ARG 51 2HD ARG 51 -6.323 -16.474 3.514 387 HE ARG 51 HE ARG 51 -7.877 -15.059 5.384 388 HH11 ARG 51 1HH1 ARG 51 -4.663 -16.325 4.953 389 HH12 ARG 51 2HH1 ARG 51 -4.384 -16.552 6.648 390 HH21 ARG 51 1HH2 ARG 51 -7.522 -15.353 7.618 391 HH22 ARG 51 2HH2 ARG 51 -6.012 -16.000 8.163 392 HA PRO 52 HA PRO 52 -9.155 -10.718 -0.281 393 HB2 PRO 52 1HB PRO 52 -11.034 -12.445 -1.206 394 HB3 PRO 52 2HB PRO 52 -9.583 -12.023 -2.123 395 HG2 PRO 52 1HG PRO 52 -10.127 -14.442 -0.446 396 HG3 PRO 52 2HG PRO 52 -9.349 -14.335 -2.036 397 HD2 PRO 52 1HD PRO 52 -7.939 -14.594 0.261 398 HD3 PRO 52 2HD PRO 52 -7.323 -13.697 -1.141 399 H ASP 53 H ASP 53 -9.207 -12.734 2.316 400 HA ASP 53 HA ASP 53 -11.932 -11.934 3.101 401 HB2 ASP 53 1HB ASP 53 -11.915 -13.818 4.659 402 HB3 ASP 53 2HB ASP 53 -11.598 -14.372 3.017 403 H LEU 54 H LEU 54 -9.452 -10.342 3.283 404 HA LEU 54 HA LEU 54 -9.240 -10.089 6.209 405 HB2 LEU 54 1HB LEU 54 -7.333 -9.605 3.976 406 HB3 LEU 54 2HB LEU 54 -7.193 -8.617 5.429 407 HG LEU 54 HG LEU 54 -7.073 -11.631 5.392 408 HD11 LEU 54 1HD1 LEU 54 -4.679 -10.028 6.015 409 HD12 LEU 54 2HD1 LEU 54 -5.179 -10.053 4.325 410 HD13 LEU 54 3HD1 LEU 54 -4.831 -11.565 5.163 411 HD21 LEU 54 1HD2 LEU 54 -7.211 -11.506 7.601 412 HD22 LEU 54 2HD2 LEU 54 -7.471 -9.766 7.481 413 HD23 LEU 54 3HD2 LEU 54 -5.835 -10.404 7.643 414 H ILE 55 H ILE 55 -9.633 -8.282 3.197 415 HA ILE 55 HA ILE 55 -10.657 -6.018 4.783 416 HB ILE 55 HB ILE 55 -9.692 -5.522 2.021 417 HG12 ILE 55 1HG1 ILE 55 -7.393 -5.050 3.309 418 HG13 ILE 55 2HG1 ILE 55 -7.963 -6.404 4.277 419 HG21 ILE 55 1HG2 ILE 55 -10.291 -3.517 2.826 420 HG22 ILE 55 2HG2 ILE 55 -10.187 -4.051 4.503 421 HG23 ILE 55 3HG2 ILE 55 -8.729 -3.557 3.643 422 HD11 ILE 55 1HD1 ILE 55 -7.053 -7.729 2.755 423 HD12 ILE 55 2HD1 ILE 55 -8.334 -7.221 1.654 424 HD13 ILE 55 3HD1 ILE 55 -6.783 -6.382 1.650 425 H ASP 56 H ASP 56 -11.923 -4.511 3.050 426 HA ASP 56 HA ASP 56 -13.915 -6.288 1.800 427 HB2 ASP 56 1HB ASP 56 -14.213 -3.715 3.318 428 HB3 ASP 56 2HB ASP 56 -15.434 -4.199 2.144 429 H TYR 57 H TYR 57 -11.460 -5.103 0.632 430 HA TYR 57 HA TYR 57 -11.879 -2.909 -0.974 431 HB2 TYR 57 1HB TYR 57 -9.732 -4.155 -0.753 432 HB3 TYR 57 2HB TYR 57 -10.392 -5.414 -1.791 433 HD1 TYR 57 2HD TYR 57 -11.109 -4.738 -4.158 434 HD2 TYR 57 1HD TYR 57 -8.658 -2.296 -1.680 435 HE1 TYR 57 2HE TYR 57 -10.330 -3.514 -6.144 436 HE2 TYR 57 1HE TYR 57 -7.874 -1.065 -3.660 437 HH TYR 57 HH TYR 57 -8.125 -0.753 -5.853 438 H LYS 58 H LYS 58 -13.394 -5.970 -1.148 439 HA LYS 58 HA LYS 58 -14.047 -6.073 -3.886 440 HB2 LYS 58 1HB LYS 58 -15.824 -7.637 -3.200 441 HB3 LYS 58 2HB LYS 58 -14.282 -8.019 -2.445 442 HG2 LYS 58 1HG LYS 58 -15.013 -6.988 -0.374 443 HG3 LYS 58 2HG LYS 58 -16.542 -6.528 -1.125 444 HD2 LYS 58 1HD LYS 58 -15.594 -9.379 -0.896 445 HD3 LYS 58 2HD LYS 58 -16.624 -8.596 0.306 446 HE2 LYS 58 1HE LYS 58 -17.287 -8.915 -2.620 447 HE3 LYS 58 2HE LYS 58 -17.907 -9.932 -1.321 448 HZ1 LYS 58 1HZ LYS 58 -18.798 -7.811 -0.326 449 HZ2 LYS 58 2HZ LYS 58 -19.559 -8.341 -1.741 450 HZ3 LYS 58 3HZ LYS 58 -18.452 -7.063 -1.804 451 H SER 59 H SER 59 -15.511 -4.421 -1.164 452 HA SER 59 HA SER 59 -17.450 -3.205 -3.022 453 HB2 SER 59 1HB SER 59 -18.979 -2.948 -1.083 454 HB3 SER 59 2HB SER 59 -18.620 -4.639 -1.435 455 HG SER 59 HG SER 59 -16.974 -3.325 0.390 456 H LEU 60 H LEU 60 -14.731 -2.346 -2.282 457 HA LEU 60 HA LEU 60 -15.178 0.020 -0.645 458 HB2 LEU 60 1HB LEU 60 -12.771 -1.326 -1.799 459 HB3 LEU 60 2HB LEU 60 -12.670 0.346 -1.249 460 HG LEU 60 HG LEU 60 -13.146 -2.138 0.367 461 HD11 LEU 60 1HD1 LEU 60 -10.866 -0.828 -0.226 462 HD12 LEU 60 2HD1 LEU 60 -11.124 -1.731 1.267 463 HD13 LEU 60 3HD1 LEU 60 -11.346 0.019 1.245 464 HD21 LEU 60 1HD2 LEU 60 -14.808 -0.790 1.272 465 HD22 LEU 60 2HD2 LEU 60 -13.884 0.692 1.018 466 HD23 LEU 60 3HD2 LEU 60 -13.409 -0.437 2.287 467 H ASN 61 H ASN 61 -13.637 1.934 -1.650 468 HA ASN 61 HA ASN 61 -13.792 2.360 -4.434 469 HB2 ASN 61 1HB ASN 61 -16.086 3.314 -2.774 470 HB3 ASN 61 2HB ASN 61 -15.524 4.332 -4.098 471 HD21 ASN 61 1HD2 ASN 61 -14.848 2.541 -6.003 472 HD22 ASN 61 2HD2 ASN 61 -16.237 1.647 -6.508 473 HA PRO 62 HA PRO 62 -11.032 5.621 -3.434 474 HB2 PRO 62 1HB PRO 62 -11.507 7.413 -5.417 475 HB3 PRO 62 2HB PRO 62 -10.673 5.879 -5.689 476 HG2 PRO 62 1HG PRO 62 -13.534 6.595 -6.197 477 HG3 PRO 62 2HG PRO 62 -12.416 5.668 -7.214 478 HD2 PRO 62 1HD PRO 62 -14.286 4.486 -5.653 479 HD3 PRO 62 2HD PRO 62 -12.716 3.733 -5.998 480 H GLN 63 H GLN 63 -14.270 5.929 -2.961 481 HA GLN 63 HA GLN 63 -14.415 8.764 -2.484 482 HB2 GLN 63 1HB GLN 63 -16.651 8.184 -1.488 483 HB3 GLN 63 2HB GLN 63 -16.437 7.699 -3.165 484 HG2 GLN 63 1HG GLN 63 -17.569 5.991 -1.819 485 HG3 GLN 63 2HG GLN 63 -16.050 5.418 -2.505 486 HE21 GLN 63 1HE2 GLN 63 -15.488 3.898 -1.064 487 HE22 GLN 63 2HE2 GLN 63 -15.205 4.191 0.615 488 H ASP 64 H ASP 64 -13.251 6.092 -0.772 489 HA ASP 64 HA ASP 64 -13.489 7.518 1.794 490 HB2 ASP 64 1HB ASP 64 -13.400 4.623 1.077 491 HB3 ASP 64 2HB ASP 64 -12.706 5.118 2.618 492 H ILE 65 H ILE 65 -11.727 8.620 2.310 493 HA ILE 65 HA ILE 65 -9.119 7.707 1.333 494 HB ILE 65 HB ILE 65 -9.955 10.351 2.526 495 HG12 ILE 65 1HG1 ILE 65 -9.081 9.617 -0.276 496 HG13 ILE 65 2HG1 ILE 65 -10.743 9.919 0.220 497 HG21 ILE 65 1HG2 ILE 65 -7.409 10.429 1.232 498 HG22 ILE 65 2HG2 ILE 65 -7.822 10.832 2.898 499 HG23 ILE 65 3HG2 ILE 65 -7.398 9.174 2.471 500 HD11 ILE 65 1HD1 ILE 65 -9.941 11.876 -0.847 501 HD12 ILE 65 2HD1 ILE 65 -10.026 12.222 0.881 502 HD13 ILE 65 3HD1 ILE 65 -8.470 11.880 0.125 503 H LYS 66 H LYS 66 -10.829 8.562 4.301 504 HA LYS 66 HA LYS 66 -8.555 8.045 5.986 505 HB2 LYS 66 1HB LYS 66 -10.539 9.637 6.439 506 HB3 LYS 66 2HB LYS 66 -11.406 8.187 6.930 507 HG2 LYS 66 1HG LYS 66 -9.700 7.742 8.625 508 HG3 LYS 66 2HG LYS 66 -8.841 9.206 8.137 509 HD2 LYS 66 1HD LYS 66 -11.718 9.336 8.961 510 HD3 LYS 66 2HD LYS 66 -10.441 9.291 10.178 511 HE2 LYS 66 1HE LYS 66 -9.626 11.355 9.595 512 HE3 LYS 66 2HE LYS 66 -10.204 11.233 7.934 513 HZ1 LYS 66 1HZ LYS 66 -12.445 11.605 8.696 514 HZ2 LYS 66 2HZ LYS 66 -11.452 12.861 9.241 515 HZ3 LYS 66 3HZ LYS 66 -11.938 11.642 10.309 516 H GLU 67 H GLU 67 -11.647 6.402 5.347 517 HA GLU 67 HA GLU 67 -11.211 4.198 7.022 518 HB2 GLU 67 1HB GLU 67 -13.415 4.662 6.165 519 HB3 GLU 67 2HB GLU 67 -12.862 4.463 4.508 520 HG2 GLU 67 1HG GLU 67 -12.880 2.197 4.621 521 HG3 GLU 67 2HG GLU 67 -12.516 2.168 6.346 522 H ASN 68 H ASN 68 -11.113 4.102 3.460 523 HA ASN 68 HA ASN 68 -10.025 1.745 2.926 524 HB2 ASN 68 1HB ASN 68 -9.442 4.431 1.750 525 HB3 ASN 68 2HB ASN 68 -8.496 3.048 1.206 526 HD21 ASN 68 1HD2 ASN 68 -9.631 3.825 -0.817 527 HD22 ASN 68 2HD2 ASN 68 -11.145 3.078 -1.183 528 H ASN 69 H ASN 69 -7.982 4.535 3.805 529 HA ASN 69 HA ASN 69 -5.566 3.121 3.930 530 HB2 ASN 69 1HB ASN 69 -6.545 5.734 4.981 531 HB3 ASN 69 2HB ASN 69 -5.037 5.098 5.632 532 HD21 ASN 69 1HD2 ASN 69 -6.683 5.794 2.582 533 HD22 ASN 69 2HD2 ASN 69 -5.258 6.242 1.713 534 H LYS 70 H LYS 70 -7.787 4.064 6.550 535 HA LYS 70 HA LYS 70 -6.446 2.973 8.696 536 HB2 LYS 70 1HB LYS 70 -8.445 4.338 8.960 537 HB3 LYS 70 2HB LYS 70 -9.429 3.085 8.215 538 HG2 LYS 70 1HG LYS 70 -9.348 1.727 10.071 539 HG3 LYS 70 2HG LYS 70 -7.851 2.449 10.665 540 HD2 LYS 70 1HD LYS 70 -9.271 4.591 10.947 541 HD3 LYS 70 2HD LYS 70 -10.654 3.500 10.831 542 HE2 LYS 70 1HE LYS 70 -8.397 3.022 12.756 543 HE3 LYS 70 2HE LYS 70 -9.774 4.044 13.166 544 HZ1 LYS 70 1HZ LYS 70 -10.409 1.424 12.081 545 HZ2 LYS 70 2HZ LYS 70 -11.142 2.282 13.340 546 HZ3 LYS 70 3HZ LYS 70 -9.707 1.430 13.620 547 H LYS 71 H LYS 71 -8.896 1.368 6.668 548 HA LYS 71 HA LYS 71 -9.045 -1.086 7.828 549 HB2 LYS 71 1HB LYS 71 -8.820 -0.646 4.847 550 HB3 LYS 71 2HB LYS 71 -9.598 -2.003 5.651 551 HG2 LYS 71 1HG LYS 71 -11.286 -0.511 6.569 552 HG3 LYS 71 2HG LYS 71 -10.495 0.869 5.803 553 HD2 LYS 71 1HD LYS 71 -12.049 0.445 4.200 554 HD3 LYS 71 2HD LYS 71 -10.804 -0.678 3.650 555 HE2 LYS 71 1HE LYS 71 -12.916 -1.819 3.667 556 HE3 LYS 71 2HE LYS 71 -11.914 -2.467 4.964 557 HZ1 LYS 71 1HZ LYS 71 -13.163 -0.660 6.349 558 HZ2 LYS 71 2HZ LYS 71 -13.882 -2.161 6.049 559 HZ3 LYS 71 3HZ LYS 71 -14.327 -0.811 5.132 560 H ALA 72 H ALA 72 -6.608 -0.121 5.416 561 HA ALA 72 HA ALA 72 -5.171 -2.506 5.352 562 HB1 ALA 72 1HB ALA 72 -4.235 -1.300 3.735 563 HB2 ALA 72 2HB ALA 72 -4.785 0.215 4.452 564 HB3 ALA 72 3HB ALA 72 -3.271 -0.515 4.987 565 H TYR 73 H TYR 73 -4.020 0.445 6.987 566 HA TYR 73 HA TYR 73 -1.979 -0.450 8.445 567 HB2 TYR 73 1HB TYR 73 -4.154 1.222 9.710 568 HB3 TYR 73 2HB TYR 73 -2.444 1.211 10.125 569 HD1 TYR 73 1HD TYR 73 -1.295 1.251 7.347 570 HD2 TYR 73 2HD TYR 73 -4.469 3.474 9.104 571 HE1 TYR 73 1HE TYR 73 -0.892 3.078 5.749 572 HE2 TYR 73 2HE TYR 73 -4.075 5.306 7.511 573 HH TYR 73 HH TYR 73 -1.825 6.064 6.098 574 H ASP 74 H ASP 74 -5.369 -1.037 9.242 575 HA ASP 74 HA ASP 74 -4.862 -2.375 11.697 576 HB2 ASP 74 1HB ASP 74 -7.214 -2.052 9.888 577 HB3 ASP 74 2HB ASP 74 -7.261 -3.338 11.091 578 H GLY 75 H GLY 75 -5.540 -3.535 8.403 579 HA2 GLY 75 1HA GLY 75 -5.411 -6.290 9.042 580 HA3 GLY 75 2HA GLY 75 -5.252 -5.598 7.435 581 H PHE 76 H PHE 76 -3.012 -4.205 7.423 582 HA PHE 76 HA PHE 76 -0.985 -6.103 7.237 583 HB2 PHE 76 1HB PHE 76 -0.846 -3.095 7.478 584 HB3 PHE 76 2HB PHE 76 0.560 -4.102 7.147 585 HD1 PHE 76 1HD PHE 76 0.016 -5.904 5.171 586 HD2 PHE 76 2HD PHE 76 -1.750 -2.062 5.655 587 HE1 PHE 76 1HE PHE 76 -0.506 -5.846 2.768 588 HE2 PHE 76 2HE PHE 76 -2.276 -1.997 3.252 589 HZ PHE 76 HZ PHE 76 -1.655 -3.891 1.805 590 H ALA 77 H ALA 77 -1.520 -3.657 9.766 591 HA ALA 77 HA ALA 77 0.656 -4.444 11.386 592 HB1 ALA 77 1HB ALA 77 -0.614 -2.256 11.474 593 HB2 ALA 77 2HB ALA 77 -1.850 -3.120 12.390 594 HB3 ALA 77 3HB ALA 77 -0.211 -2.988 13.028 595 H SER 78 H SER 78 -2.118 -6.099 10.647 596 HA SER 78 HA SER 78 -2.728 -7.250 13.189 597 HB2 SER 78 1HB SER 78 -4.146 -7.106 10.954 598 HB3 SER 78 2HB SER 78 -3.391 -8.670 10.645 599 HG SER 78 HG SER 78 -5.503 -8.492 11.905 600 H ILE 79 H ILE 79 -0.338 -7.822 10.805 601 HA ILE 79 HA ILE 79 0.270 -10.468 11.933 602 HB ILE 79 HB ILE 79 1.913 -10.510 9.920 603 HG12 ILE 79 1HG1 ILE 79 -0.089 -8.468 8.935 604 HG13 ILE 79 2HG1 ILE 79 1.572 -8.094 9.382 605 HG21 ILE 79 1HG2 ILE 79 -0.862 -10.633 8.920 606 HG22 ILE 79 2HG2 ILE 79 0.420 -11.842 8.868 607 HG23 ILE 79 3HG2 ILE 79 -0.500 -11.596 10.353 608 HD11 ILE 79 1HD1 ILE 79 0.771 -8.631 6.877 609 HD12 ILE 79 2HD1 ILE 79 2.406 -8.924 7.470 610 HD13 ILE 79 3HD1 ILE 79 1.240 -10.246 7.407 611 H GLY 80 H GLY 80 1.395 -7.215 11.687 612 HA2 GLY 80 1HA GLY 80 3.060 -6.942 13.678 613 HA3 GLY 80 2HA GLY 80 4.064 -7.958 12.655 614 H ILE 81 H ILE 81 2.381 -6.272 10.488 615 HA ILE 81 HA ILE 81 4.561 -4.558 9.841 616 HB ILE 81 HB ILE 81 1.759 -4.567 8.714 617 HG12 ILE 81 1HG1 ILE 81 4.282 -5.974 7.819 618 HG13 ILE 81 2HG1 ILE 81 2.812 -6.733 8.419 619 HG21 ILE 81 1HG2 ILE 81 3.531 -2.584 8.412 620 HG22 ILE 81 2HG2 ILE 81 4.072 -3.654 7.120 621 HG23 ILE 81 3HG2 ILE 81 2.408 -3.071 7.143 622 HD11 ILE 81 1HD1 ILE 81 3.499 -6.115 5.763 623 HD12 ILE 81 2HD1 ILE 81 1.999 -6.817 6.369 624 HD13 ILE 81 3HD1 ILE 81 2.152 -5.067 6.207 625 H SER 82 H SER 82 4.893 -3.115 11.520 626 HA SER 82 HA SER 82 2.981 -1.615 12.860 627 HB2 SER 82 1HB SER 82 5.849 -0.917 12.193 628 HB3 SER 82 2HB SER 82 4.851 -0.016 13.334 629 HG SER 82 HG SER 82 4.567 -2.265 14.298 630 H ARG 83 H ARG 83 1.716 0.039 12.322 631 HA ARG 83 HA ARG 83 1.710 1.040 9.641 632 HB2 ARG 83 1HB ARG 83 -0.196 2.405 10.388 633 HB3 ARG 83 2HB ARG 83 -0.382 0.717 10.846 634 HG2 ARG 83 1HG ARG 83 0.416 1.294 13.118 635 HG3 ARG 83 2HG ARG 83 0.448 2.991 12.634 636 HD2 ARG 83 1HD ARG 83 -2.031 1.320 12.367 637 HD3 ARG 83 2HD ARG 83 -1.623 2.131 13.878 638 HE ARG 83 HE ARG 83 -1.530 3.944 11.699 639 HH11 ARG 83 1HH1 ARG 83 -3.741 2.237 13.777 640 HH12 ARG 83 2HH1 ARG 83 -5.003 3.414 13.619 641 HH21 ARG 83 1HH2 ARG 83 -3.183 5.500 11.483 642 HH22 ARG 83 2HH2 ARG 83 -4.685 5.269 12.313 643 H LEU 84 H LEU 84 2.821 2.703 8.869 644 HA LEU 84 HA LEU 84 4.137 4.520 10.749 645 HB2 LEU 84 1HB LEU 84 4.590 3.878 7.848 646 HB3 LEU 84 2HB LEU 84 5.370 5.245 8.643 647 HG LEU 84 HG LEU 84 6.355 3.584 10.269 648 HD11 LEU 84 1HD1 LEU 84 6.264 1.340 8.511 649 HD12 LEU 84 2HD1 LEU 84 4.618 1.830 8.910 650 HD13 LEU 84 3HD1 LEU 84 5.762 1.452 10.198 651 HD21 LEU 84 1HD2 LEU 84 8.195 3.149 8.893 652 HD22 LEU 84 2HD2 LEU 84 7.469 4.601 8.202 653 HD23 LEU 84 3HD2 LEU 84 7.198 3.032 7.443 654 H LEU 85 H LEU 85 2.192 4.609 7.774 655 HA LEU 85 HA LEU 85 1.795 7.468 8.025 656 HB2 LEU 85 1HB LEU 85 1.992 5.962 5.868 657 HB3 LEU 85 2HB LEU 85 0.254 5.793 6.106 658 HG LEU 85 HG LEU 85 -0.071 8.157 5.841 659 HD11 LEU 85 1HD1 LEU 85 1.546 9.510 6.551 660 HD12 LEU 85 2HD1 LEU 85 2.339 9.215 5.004 661 HD13 LEU 85 3HD1 LEU 85 2.771 8.249 6.414 662 HD21 LEU 85 1HD2 LEU 85 1.220 8.391 3.532 663 HD22 LEU 85 2HD2 LEU 85 -0.167 7.319 3.729 664 HD23 LEU 85 3HD2 LEU 85 1.470 6.664 3.792 665 H GLU 86 H GLU 86 -0.381 8.408 8.011 666 HA GLU 86 HA GLU 86 -2.244 6.797 9.629 667 HB2 GLU 86 1HB GLU 86 -1.915 9.802 9.579 668 HB3 GLU 86 2HB GLU 86 -3.050 8.909 10.582 669 HG2 GLU 86 1HG GLU 86 -1.086 7.767 11.630 670 HG3 GLU 86 2HG GLU 86 -0.050 8.891 10.752 671 HA PRO 87 HA PRO 87 -5.263 7.148 6.454 672 HB2 PRO 87 1HB PRO 87 -7.527 6.961 7.940 673 HB3 PRO 87 2HB PRO 87 -6.470 5.581 7.623 674 HG2 PRO 87 1HG PRO 87 -6.631 7.325 10.051 675 HG3 PRO 87 2HG PRO 87 -6.475 5.562 9.948 676 HD2 PRO 87 1HD PRO 87 -4.367 7.184 10.453 677 HD3 PRO 87 2HD PRO 87 -4.206 5.659 9.558 678 H SER 88 H SER 88 -6.006 9.070 9.367 679 HA SER 88 HA SER 88 -7.676 10.925 8.049 680 HB2 SER 88 1HB SER 88 -7.383 12.310 10.084 681 HB3 SER 88 2HB SER 88 -7.765 10.632 10.469 682 HG SER 88 HG SER 88 -5.500 10.309 10.799 683 H ASP 89 H ASP 89 -4.247 11.051 8.955 684 HA ASP 89 HA ASP 89 -3.538 13.582 8.295 685 HB2 ASP 89 1HB ASP 89 -2.089 10.989 7.791 686 HB3 ASP 89 2HB ASP 89 -1.353 12.547 7.424 687 H MET 90 H MET 90 -3.866 10.894 5.987 688 HA MET 90 HA MET 90 -3.160 12.259 3.673 689 HB2 MET 90 1HB MET 90 -5.182 10.038 4.011 690 HB3 MET 90 2HB MET 90 -4.507 10.556 2.472 691 HG2 MET 90 1HG MET 90 -2.702 9.686 4.685 692 HG3 MET 90 2HG MET 90 -3.524 8.492 3.683 693 HE1 MET 90 1HE MET 90 -0.597 7.829 1.722 694 HE2 MET 90 2HE MET 90 -1.936 7.337 2.759 695 HE3 MET 90 3HE MET 90 -2.239 7.785 1.079 696 H VAL 91 H VAL 91 -6.232 12.139 5.385 697 HA VAL 91 HA VAL 91 -7.735 13.487 3.370 698 HB VAL 91 HB VAL 91 -8.351 13.268 6.319 699 HG11 VAL 91 1HG1 VAL 91 -10.469 14.003 5.876 700 HG12 VAL 91 2HG1 VAL 91 -9.575 14.919 4.661 701 HG13 VAL 91 3HG1 VAL 91 -10.431 13.447 4.203 702 HG21 VAL 91 1HG2 VAL 91 -9.539 11.268 5.857 703 HG22 VAL 91 2HG2 VAL 91 -9.347 11.474 4.116 704 HG23 VAL 91 3HG2 VAL 91 -7.948 11.086 5.117 705 H LEU 92 H LEU 92 -6.075 14.514 6.321 706 HA LEU 92 HA LEU 92 -6.943 17.168 6.381 707 HB2 LEU 92 1HB LEU 92 -4.263 16.085 7.237 708 HB3 LEU 92 2HB LEU 92 -4.977 17.614 7.747 709 HG LEU 92 HG LEU 92 -6.218 14.937 8.353 710 HD11 LEU 92 1HD1 LEU 92 -3.803 15.902 9.372 711 HD12 LEU 92 2HD1 LEU 92 -4.792 14.592 10.017 712 HD13 LEU 92 3HD1 LEU 92 -5.009 16.237 10.615 713 HD21 LEU 92 1HD2 LEU 92 -7.757 16.063 9.563 714 HD22 LEU 92 2HD2 LEU 92 -7.359 17.365 8.443 715 HD23 LEU 92 3HD2 LEU 92 -6.620 17.323 10.044 716 H LEU 93 H LEU 93 -3.744 16.049 5.261 717 HA LEU 93 HA LEU 93 -3.349 18.490 3.777 718 HB2 LEU 93 1HB LEU 93 -1.181 17.572 3.215 719 HB3 LEU 93 2HB LEU 93 -1.493 17.417 4.943 720 HG LEU 93 HG LEU 93 -2.217 15.000 4.344 721 HD11 LEU 93 1HD1 LEU 93 -0.784 15.888 1.871 722 HD12 LEU 93 2HD1 LEU 93 -2.275 14.960 2.025 723 HD13 LEU 93 3HD1 LEU 93 -0.726 14.205 2.397 724 HD21 LEU 93 1HD2 LEU 93 0.703 15.700 4.113 725 HD22 LEU 93 2HD2 LEU 93 -0.007 14.218 4.753 726 HD23 LEU 93 3HD2 LEU 93 -0.193 15.737 5.632 727 H ALA 94 H ALA 94 -2.855 18.549 1.495 728 HA ALA 94 HA ALA 94 -4.718 16.994 -0.040 729 HB1 ALA 94 1HB ALA 94 -4.606 18.695 -1.468 730 HB2 ALA 94 2HB ALA 94 -3.536 19.491 -0.313 731 HB3 ALA 94 3HB ALA 94 -2.857 18.534 -1.630 732 H ILE 95 H ILE 95 -1.185 17.463 -0.264 733 HA ILE 95 HA ILE 95 -1.013 14.792 -1.499 734 HB ILE 95 HB ILE 95 1.030 16.981 -1.829 735 HG12 ILE 95 1HG1 ILE 95 -1.414 17.412 -2.711 736 HG13 ILE 95 2HG1 ILE 95 -0.022 17.791 -3.720 737 HG21 ILE 95 1HG2 ILE 95 1.674 15.628 -3.800 738 HG22 ILE 95 2HG2 ILE 95 1.860 14.765 -2.274 739 HG23 ILE 95 3HG2 ILE 95 0.483 14.420 -3.321 740 HD11 ILE 95 1HD1 ILE 95 -1.328 15.117 -3.923 741 HD12 ILE 95 2HD1 ILE 95 -2.030 16.520 -4.731 742 HD13 ILE 95 3HD1 ILE 95 -0.390 16.004 -5.125 743 HA PRO 96 HA PRO 96 1.214 13.717 2.198 744 HB2 PRO 96 1HB PRO 96 1.863 11.197 1.422 745 HB3 PRO 96 2HB PRO 96 0.247 11.643 1.985 746 HG2 PRO 96 1HG PRO 96 1.254 11.316 -0.815 747 HG3 PRO 96 2HG PRO 96 -0.278 10.774 -0.106 748 HD2 PRO 96 1HD PRO 96 -0.085 13.008 -1.624 749 HD3 PRO 96 2HD PRO 96 -1.246 12.858 -0.289 750 H ASP 97 H ASP 97 3.360 12.056 2.260 751 HA ASP 97 HA ASP 97 5.368 13.525 0.683 752 HB2 ASP 97 1HB ASP 97 5.368 12.443 3.470 753 HB3 ASP 97 2HB ASP 97 6.896 12.535 2.597 754 H LYS 98 H LYS 98 5.712 12.290 -1.082 755 HA LYS 98 HA LYS 98 5.474 9.664 -1.552 756 HB2 LYS 98 1HB LYS 98 6.386 11.485 -3.101 757 HB3 LYS 98 2HB LYS 98 7.969 11.104 -2.437 758 HG2 LYS 98 1HG LYS 98 7.475 8.692 -3.133 759 HG3 LYS 98 2HG LYS 98 6.173 9.382 -4.106 760 HD2 LYS 98 1HD LYS 98 7.881 9.377 -5.637 761 HD3 LYS 98 2HD LYS 98 8.086 10.984 -4.938 762 HE2 LYS 98 1HE LYS 98 9.664 9.738 -3.272 763 HE3 LYS 98 2HE LYS 98 9.719 8.515 -4.540 764 HZ1 LYS 98 1HZ LYS 98 11.423 10.480 -4.485 765 HZ2 LYS 98 2HZ LYS 98 10.183 11.311 -5.282 766 HZ3 LYS 98 3HZ LYS 98 10.823 9.897 -5.956 767 H LEU 99 H LEU 99 8.432 11.104 -0.179 768 HA LEU 99 HA LEU 99 9.928 8.824 0.178 769 HB2 LEU 99 1HB LEU 99 9.748 11.155 2.081 770 HB3 LEU 99 2HB LEU 99 11.074 9.998 1.979 771 HG LEU 99 HG LEU 99 10.346 11.700 -0.378 772 HD11 LEU 99 1HD1 LEU 99 12.265 12.499 1.801 773 HD12 LEU 99 2HD1 LEU 99 10.648 13.174 1.600 774 HD13 LEU 99 3HD1 LEU 99 11.863 13.406 0.343 775 HD21 LEU 99 1HD2 LEU 99 13.094 10.862 0.404 776 HD22 LEU 99 2HD2 LEU 99 12.402 11.111 -1.199 777 HD23 LEU 99 3HD2 LEU 99 12.001 9.659 -0.281 778 H THR 100 H THR 100 7.604 10.234 2.475 779 HA THR 100 HA THR 100 7.868 8.335 4.498 780 HB THR 100 HB THR 100 5.344 9.822 3.745 781 HG1 THR 100 1HG THR 100 6.194 11.264 5.460 782 HG21 THR 100 1HG2 THR 100 5.597 7.818 5.569 783 HG22 THR 100 2HG2 THR 100 4.422 9.128 5.682 784 HG23 THR 100 3HG2 THR 100 5.947 9.233 6.561 785 H VAL 101 H VAL 101 5.049 8.514 2.326 786 HA VAL 101 HA VAL 101 3.907 6.110 2.793 787 HB VAL 101 HB VAL 101 4.239 7.354 0.059 788 HG11 VAL 101 1HG1 VAL 101 2.667 5.933 -0.776 789 HG12 VAL 101 2HG1 VAL 101 3.388 4.867 0.432 790 HG13 VAL 101 3HG1 VAL 101 1.879 5.709 0.786 791 HG21 VAL 101 1HG2 VAL 101 2.526 8.764 0.523 792 HG22 VAL 101 2HG2 VAL 101 1.732 7.622 1.607 793 HG23 VAL 101 3HG2 VAL 101 3.117 8.556 2.171 794 H MET 102 H MET 102 6.281 6.596 0.168 795 HA MET 102 HA MET 102 6.617 4.053 -0.704 796 HB2 MET 102 1HB MET 102 8.595 6.280 -0.339 797 HB3 MET 102 2HB MET 102 9.119 4.724 -0.967 798 HG2 MET 102 1HG MET 102 7.272 4.987 -2.699 799 HG3 MET 102 2HG MET 102 7.186 6.667 -2.175 800 HE1 MET 102 1HE MET 102 10.008 3.970 -3.269 801 HE2 MET 102 2HE MET 102 8.675 4.151 -4.410 802 HE3 MET 102 3HE MET 102 10.291 4.712 -4.844 803 H THR 103 H THR 103 8.301 5.488 2.082 804 HA THR 103 HA THR 103 9.878 3.342 2.815 805 HB THR 103 HB THR 103 8.484 5.281 4.673 806 HG1 THR 103 1HG THR 103 11.175 5.467 3.850 807 HG21 THR 103 1HG2 THR 103 10.855 3.459 5.085 808 HG22 THR 103 2HG2 THR 103 9.314 3.419 5.942 809 HG23 THR 103 3HG2 THR 103 10.417 4.774 6.175 810 H TYR 104 H TYR 104 6.635 4.107 4.097 811 HA TYR 104 HA TYR 104 6.276 1.908 5.710 812 HB2 TYR 104 1HB TYR 104 4.695 3.766 5.647 813 HB3 TYR 104 2HB TYR 104 4.200 3.317 4.018 814 HD1 TYR 104 2HD TYR 104 4.801 1.038 6.887 815 HD2 TYR 104 1HD TYR 104 1.920 2.840 4.326 816 HE1 TYR 104 2HE TYR 104 3.061 -0.427 7.823 817 HE2 TYR 104 1HE TYR 104 0.172 1.380 5.256 818 HH TYR 104 HH TYR 104 0.460 -1.221 6.582 819 H LEU 105 H LEU 105 5.522 2.193 2.250 820 HA LEU 105 HA LEU 105 4.396 -0.298 1.826 821 HB2 LEU 105 1HB LEU 105 5.955 1.584 0.121 822 HB3 LEU 105 2HB LEU 105 5.581 -0.021 -0.503 823 HG LEU 105 HG LEU 105 3.444 1.833 0.514 824 HD11 LEU 105 1HD1 LEU 105 5.018 2.035 -1.925 825 HD12 LEU 105 2HD1 LEU 105 3.901 3.188 -1.196 826 HD13 LEU 105 3HD1 LEU 105 3.285 1.897 -2.228 827 HD21 LEU 105 1HD2 LEU 105 2.015 0.246 -0.127 828 HD22 LEU 105 2HD2 LEU 105 3.412 -0.828 -0.203 829 HD23 LEU 105 3HD2 LEU 105 2.852 -0.006 -1.659 830 H TYR 106 H TYR 106 7.815 0.565 1.270 831 HA TYR 106 HA TYR 106 8.923 -1.781 0.595 832 HB2 TYR 106 1HB TYR 106 9.903 0.379 2.423 833 HB3 TYR 106 2HB TYR 106 10.873 -1.074 2.210 834 HD1 TYR 106 2HD TYR 106 10.746 -1.741 -0.542 835 HD2 TYR 106 1HD TYR 106 10.783 2.133 1.218 836 HE1 TYR 106 2HE TYR 106 11.687 -0.814 -2.617 837 HE2 TYR 106 1HE TYR 106 11.722 3.071 -0.852 838 HH TYR 106 HH TYR 106 13.243 1.754 -2.945 839 H GLN 107 H GLN 107 7.669 -0.979 3.763 840 HA GLN 107 HA GLN 107 8.759 -3.204 5.144 841 HB2 GLN 107 1HB GLN 107 6.252 -1.659 5.820 842 HB3 GLN 107 2HB GLN 107 7.211 -2.643 6.918 843 HG2 GLN 107 1HG GLN 107 8.452 -0.318 5.515 844 HG3 GLN 107 2HG GLN 107 7.458 -0.069 6.949 845 HE21 GLN 107 1HE2 GLN 107 9.463 0.787 7.834 846 HE22 GLN 107 2HE2 GLN 107 10.605 -0.306 8.531 847 H ILE 108 H ILE 108 5.638 -2.622 3.569 848 HA ILE 108 HA ILE 108 4.500 -5.124 4.267 849 HB ILE 108 HB ILE 108 3.820 -3.138 2.105 850 HG12 ILE 108 1HG1 ILE 108 1.689 -3.181 3.713 851 HG13 ILE 108 2HG1 ILE 108 2.896 -3.716 4.878 852 HG21 ILE 108 1HG2 ILE 108 1.672 -4.460 1.918 853 HG22 ILE 108 2HG2 ILE 108 3.105 -5.202 1.208 854 HG23 ILE 108 3HG2 ILE 108 2.506 -5.759 2.770 855 HD11 ILE 108 1HD1 ILE 108 2.310 -1.091 4.033 856 HD12 ILE 108 2HD1 ILE 108 3.537 -1.627 5.181 857 HD13 ILE 108 3HD1 ILE 108 3.935 -1.479 3.470 858 H ARG 109 H ARG 109 5.873 -3.943 1.193 859 HA ARG 109 HA ARG 109 5.665 -6.306 -0.250 860 HB2 ARG 109 1HB ARG 109 6.230 -4.402 -1.490 861 HB3 ARG 109 2HB ARG 109 7.549 -3.974 -0.409 862 HG2 ARG 109 1HG ARG 109 8.735 -6.041 -1.220 863 HG3 ARG 109 2HG ARG 109 7.480 -6.174 -2.454 864 HD2 ARG 109 1HD ARG 109 8.214 -4.338 -3.596 865 HD3 ARG 109 2HD ARG 109 8.853 -3.560 -2.148 866 HE ARG 109 HE ARG 109 10.288 -5.198 -3.959 867 HH11 ARG 109 1HH1 ARG 109 9.989 -4.449 -0.572 868 HH12 ARG 109 2HH1 ARG 109 11.628 -4.870 -0.200 869 HH21 ARG 109 1HH2 ARG 109 12.448 -5.755 -3.482 870 HH22 ARG 109 2HH2 ARG 109 13.026 -5.612 -1.857 871 H ALA 110 H ALA 110 8.221 -5.211 1.929 872 HA ALA 110 HA ALA 110 10.002 -7.357 1.421 873 HB1 ALA 110 1HB ALA 110 9.777 -5.538 3.815 874 HB2 ALA 110 2HB ALA 110 11.122 -6.635 3.496 875 HB3 ALA 110 3HB ALA 110 10.797 -5.294 2.397 876 H HIS 111 H HIS 111 7.502 -6.818 3.871 877 HA HIS 111 HA HIS 111 7.939 -8.975 5.528 878 HB2 HIS 111 1HB HIS 111 6.201 -7.141 5.781 879 HB3 HIS 111 2HB HIS 111 5.187 -8.069 4.680 880 HD1 HIS 111 1HD HIS 111 6.380 -7.948 8.186 881 HD2 HIS 111 2HD HIS 111 4.195 -10.506 5.748 882 HE1 HIS 111 1HE HIS 111 5.278 -9.585 9.746 883 HE2 HIS 111 2HE HIS 111 4.031 -11.175 8.242 884 H PHE 112 H PHE 112 6.174 -8.890 2.461 885 HA PHE 112 HA PHE 112 5.589 -11.724 2.599 886 HB2 PHE 112 1HB PHE 112 5.023 -9.599 0.533 887 HB3 PHE 112 2HB PHE 112 4.629 -11.296 0.283 888 HD1 PHE 112 1HD PHE 112 3.113 -12.413 2.025 889 HD2 PHE 112 2HD PHE 112 3.533 -8.196 1.619 890 HE1 PHE 112 1HE PHE 112 0.976 -12.090 3.201 891 HE2 PHE 112 2HE PHE 112 1.397 -7.867 2.795 892 HZ PHE 112 HZ PHE 112 0.116 -9.815 3.588 893 H SER 113 H SER 113 7.190 -9.690 0.142 894 HA SER 113 HA SER 113 8.921 -11.988 -0.488 895 HB2 SER 113 1HB SER 113 7.329 -10.928 -2.261 896 HB3 SER 113 2HB SER 113 8.539 -9.647 -2.332 897 HG SER 113 HG SER 113 9.093 -11.160 -3.853 898 H SER 114 H SER 114 10.924 -11.826 0.240 899 HA SER 114 HA SER 114 12.094 -9.144 0.579 900 HB2 SER 114 1HB SER 114 12.614 -11.730 2.054 901 HB3 SER 114 2HB SER 114 13.650 -10.311 2.206 902 HG SER 114 HG SER 114 12.173 -10.162 3.830 903 H GLY 115 H GLY 115 13.103 -8.805 -1.347 904 HA2 GLY 115 1HA GLY 115 14.509 -9.180 -3.147 905 HA3 GLY 115 2HA GLY 115 15.626 -9.626 -1.865 906 HA PRO 116 HA PRO 116 15.260 -13.283 -4.640 907 HB2 PRO 116 1HB PRO 116 17.896 -13.919 -4.506 908 HB3 PRO 116 2HB PRO 116 17.250 -12.742 -5.655 909 HG2 PRO 116 1HG PRO 116 18.613 -12.276 -3.031 910 HG3 PRO 116 2HG PRO 116 18.830 -11.425 -4.571 911 HD2 PRO 116 1HD PRO 116 17.327 -10.424 -2.554 912 HD3 PRO 116 2HD PRO 116 16.952 -10.125 -4.263 913 H SER 117 H SER 117 14.062 -14.359 -3.001 914 HA SER 117 HA SER 117 15.612 -16.319 -1.557 915 HB2 SER 117 1HB SER 117 15.644 -14.588 0.113 916 HB3 SER 117 2HB SER 117 13.919 -14.286 -0.091 917 HG SER 117 HG SER 117 13.586 -16.462 0.672 918 H SER 118 H SER 118 14.286 -18.029 -0.659 919 HA SER 118 HA SER 118 12.463 -19.143 -2.277 920 HB2 SER 118 1HB SER 118 12.807 -19.281 0.687 921 HB3 SER 118 2HB SER 118 11.396 -20.063 -0.028 922 HG SER 118 HG SER 118 12.686 -21.428 -1.121 923 H GLY 119 H GLY 119 10.190 -19.263 -2.455 924 HA2 GLY 119 1HA GLY 119 7.980 -18.551 -2.003 925 HA3 GLY 119 2HA GLY 119 8.629 -17.193 -1.095 Start of MODEL 20 1 H1 GLY 1 H GLY 1 13.069 -5.283 -16.817 2 HA2 GLY 1 1HA GLY 1 12.476 -3.398 -18.782 3 HA3 GLY 1 2HA GLY 1 13.928 -2.841 -17.963 4 H SER 2 H SER 2 15.681 -3.330 -19.084 5 HA SER 2 HA SER 2 16.225 -6.038 -19.868 6 HB2 SER 2 1HB SER 2 14.951 -5.513 -21.812 7 HB3 SER 2 2HB SER 2 15.706 -3.927 -21.965 8 HG SER 2 HG SER 2 16.842 -6.470 -22.452 9 H SER 3 H SER 3 18.412 -6.318 -20.663 10 HA SER 3 HA SER 3 20.646 -6.016 -20.235 11 HB2 SER 3 1HB SER 3 21.611 -4.178 -21.472 12 HB3 SER 3 2HB SER 3 20.235 -4.798 -22.385 13 HG SER 3 HG SER 3 18.998 -3.070 -21.531 14 H GLY 4 H GLY 4 19.165 -5.508 -17.941 15 HA2 GLY 4 1HA GLY 4 20.778 -3.360 -16.718 16 HA3 GLY 4 2HA GLY 4 19.061 -3.508 -16.372 17 H SER 5 H SER 5 20.516 -3.506 -14.214 18 HA SER 5 HA SER 5 21.217 -6.254 -13.503 19 HB2 SER 5 1HB SER 5 21.687 -3.594 -12.157 20 HB3 SER 5 2HB SER 5 22.000 -5.128 -11.344 21 HG SER 5 HG SER 5 23.603 -3.844 -12.966 22 H SER 6 H SER 6 20.434 -7.183 -11.502 23 HA SER 6 HA SER 6 17.675 -6.337 -10.927 24 HB2 SER 6 1HB SER 6 18.182 -8.678 -11.879 25 HB3 SER 6 2HB SER 6 18.819 -9.048 -10.278 26 HG SER 6 HG SER 6 16.721 -8.334 -9.473 27 H GLY 7 H GLY 7 16.909 -6.430 -8.750 28 HA2 GLY 7 1HA GLY 7 17.930 -7.094 -6.419 29 HA3 GLY 7 2HA GLY 7 19.017 -5.775 -6.828 30 HA PRO 8 HA PRO 8 14.970 -4.318 -4.773 31 HB2 PRO 8 1HB PRO 8 15.936 -3.821 -2.285 32 HB3 PRO 8 2HB PRO 8 15.233 -5.375 -2.750 33 HG2 PRO 8 1HG PRO 8 18.113 -4.579 -2.561 34 HG3 PRO 8 2HG PRO 8 17.329 -6.078 -2.028 35 HD2 PRO 8 1HD PRO 8 18.723 -5.907 -4.343 36 HD3 PRO 8 2HD PRO 8 17.319 -6.976 -4.150 37 H ASN 9 H ASN 9 18.334 -3.298 -4.572 38 HA ASN 9 HA ASN 9 18.347 -0.780 -3.706 39 HB2 ASN 9 1HB ASN 9 19.577 -1.681 -6.321 40 HB3 ASN 9 2HB ASN 9 20.021 -0.217 -5.449 41 HD21 ASN 9 1HD2 ASN 9 19.999 -3.717 -5.329 42 HD22 ASN 9 2HD2 ASN 9 21.271 -3.874 -4.170 43 H ALA 10 H ALA 10 17.548 -1.483 -7.114 44 HA ALA 10 HA ALA 10 16.735 1.036 -7.876 45 HB1 ALA 10 1HB ALA 10 16.536 -1.611 -8.922 46 HB2 ALA 10 2HB ALA 10 15.002 -0.775 -9.168 47 HB3 ALA 10 3HB ALA 10 16.498 -0.071 -9.782 48 H SER 11 H SER 11 14.645 1.993 -8.149 49 HA SER 11 HA SER 11 12.906 1.474 -5.873 50 HB2 SER 11 1HB SER 11 12.862 3.696 -7.930 51 HB3 SER 11 2HB SER 11 11.815 3.601 -6.514 52 HG SER 11 HG SER 11 13.957 4.849 -6.480 53 H GLN 12 H GLN 12 12.673 1.689 -9.409 54 HA GLN 12 HA GLN 12 10.066 1.347 -9.934 55 HB2 GLN 12 1HB GLN 12 11.737 1.377 -11.695 56 HB3 GLN 12 2HB GLN 12 12.329 -0.204 -11.201 57 HG2 GLN 12 1HG GLN 12 9.819 -0.887 -11.656 58 HG3 GLN 12 2HG GLN 12 9.884 0.524 -12.711 59 HE21 GLN 12 1HE2 GLN 12 9.805 -2.512 -13.082 60 HE22 GLN 12 2HE2 GLN 12 11.038 -2.806 -14.255 61 H SER 13 H SER 13 12.225 -1.177 -8.737 62 HA SER 13 HA SER 13 10.771 -3.447 -8.979 63 HB2 SER 13 1HB SER 13 11.725 -4.144 -6.748 64 HB3 SER 13 2HB SER 13 12.910 -3.523 -7.896 65 HG SER 13 HG SER 13 13.314 -2.520 -5.974 66 H LEU 14 H LEU 14 10.449 -1.220 -6.210 67 HA LEU 14 HA LEU 14 8.270 -2.478 -5.012 68 HB2 LEU 14 1HB LEU 14 9.574 -0.804 -3.862 69 HB3 LEU 14 2HB LEU 14 9.063 0.430 -5.012 70 HG LEU 14 HG LEU 14 6.714 0.088 -4.165 71 HD11 LEU 14 1HD1 LEU 14 6.922 -0.826 -1.672 72 HD12 LEU 14 2HD1 LEU 14 8.185 -1.801 -2.424 73 HD13 LEU 14 3HD1 LEU 14 6.534 -1.871 -3.039 74 HD21 LEU 14 1HD2 LEU 14 7.126 1.910 -2.968 75 HD22 LEU 14 2HD2 LEU 14 8.852 1.588 -3.135 76 HD23 LEU 14 3HD2 LEU 14 7.969 0.965 -1.741 77 H LEU 15 H LEU 15 8.145 0.529 -6.932 78 HA LEU 15 HA LEU 15 5.485 0.890 -7.191 79 HB2 LEU 15 1HB LEU 15 7.318 2.257 -8.225 80 HB3 LEU 15 2HB LEU 15 7.365 1.080 -9.536 81 HG LEU 15 HG LEU 15 4.794 1.703 -9.696 82 HD11 LEU 15 1HD1 LEU 15 6.063 4.141 -8.462 83 HD12 LEU 15 2HD1 LEU 15 4.723 3.196 -7.815 84 HD13 LEU 15 3HD1 LEU 15 4.509 4.131 -9.295 85 HD21 LEU 15 1HD2 LEU 15 7.185 2.469 -11.029 86 HD22 LEU 15 2HD2 LEU 15 6.108 3.865 -10.973 87 HD23 LEU 15 3HD2 LEU 15 5.550 2.347 -11.678 88 H VAL 16 H VAL 16 7.374 -1.617 -8.720 89 HA VAL 16 HA VAL 16 5.253 -2.468 -10.476 90 HB VAL 16 HB VAL 16 7.813 -3.890 -9.730 91 HG11 VAL 16 1HG1 VAL 16 7.429 -5.344 -11.543 92 HG12 VAL 16 2HG1 VAL 16 5.895 -5.265 -10.674 93 HG13 VAL 16 3HG1 VAL 16 6.114 -4.350 -12.166 94 HG21 VAL 16 1HG2 VAL 16 7.621 -2.754 -12.401 95 HG22 VAL 16 2HG2 VAL 16 7.541 -1.531 -11.132 96 HG23 VAL 16 3HG2 VAL 16 8.917 -2.632 -11.210 97 H TRP 17 H TRP 17 6.817 -3.805 -7.569 98 HA TRP 17 HA TRP 17 5.584 -6.137 -7.153 99 HB2 TRP 17 1HB TRP 17 7.108 -5.013 -5.533 100 HB3 TRP 17 2HB TRP 17 5.758 -4.010 -5.009 101 HD1 TRP 17 HD TRP 17 6.923 -7.684 -4.962 102 HE1 TRP 17 1HE TRP 17 5.725 -8.884 -3.026 103 HE3 TRP 17 3HE TRP 17 3.777 -3.928 -3.502 104 HZ2 TRP 17 2HZ TRP 17 3.711 -8.315 -1.131 105 HZ3 TRP 17 3HZ TRP 17 2.246 -4.337 -1.620 106 HH2 TRP 17 HH TRP 17 2.215 -6.486 -0.461 107 H CYS 18 H CYS 18 4.081 -3.009 -6.352 108 HA CYS 18 HA CYS 18 1.602 -4.118 -5.553 109 HB2 CYS 18 1HB CYS 18 2.436 -1.834 -4.941 110 HB3 CYS 18 2HB CYS 18 2.108 -1.325 -6.593 111 HG CYS 18 HG CYS 18 0.113 -1.211 -4.080 112 H LYS 19 H LYS 19 2.243 -2.105 -8.427 113 HA LYS 19 HA LYS 19 -0.044 -2.487 -9.823 114 HB2 LYS 19 1HB LYS 19 2.763 -2.454 -10.945 115 HB3 LYS 19 2HB LYS 19 1.305 -2.242 -11.905 116 HG2 LYS 19 1HG LYS 19 0.839 -0.165 -10.962 117 HG3 LYS 19 2HG LYS 19 1.898 -0.452 -9.579 118 HD2 LYS 19 1HD LYS 19 3.096 1.047 -10.917 119 HD3 LYS 19 2HD LYS 19 3.800 -0.526 -11.297 120 HE2 LYS 19 1HE LYS 19 3.480 0.611 -13.359 121 HE3 LYS 19 2HE LYS 19 2.239 -0.638 -13.261 122 HZ1 LYS 19 1HZ LYS 19 1.741 1.908 -13.873 123 HZ2 LYS 19 2HZ LYS 19 1.485 1.953 -12.202 124 HZ3 LYS 19 3HZ LYS 19 0.603 0.877 -13.163 125 H GLU 20 H GLU 20 2.450 -4.842 -9.266 126 HA GLU 20 HA GLU 20 1.634 -6.676 -11.296 127 HB2 GLU 20 1HB GLU 20 3.898 -6.522 -10.034 128 HB3 GLU 20 2HB GLU 20 3.095 -7.480 -8.798 129 HG2 GLU 20 1HG GLU 20 3.021 -9.350 -10.090 130 HG3 GLU 20 2HG GLU 20 2.952 -8.441 -11.598 131 H VAL 21 H VAL 21 1.281 -6.731 -7.745 132 HA VAL 21 HA VAL 21 -0.470 -8.954 -7.717 133 HB VAL 21 HB VAL 21 -0.740 -8.586 -5.414 134 HG11 VAL 21 1HG1 VAL 21 1.853 -8.220 -6.590 135 HG12 VAL 21 2HG1 VAL 21 1.755 -7.361 -5.052 136 HG13 VAL 21 3HG1 VAL 21 1.404 -9.088 -5.123 137 HG21 VAL 21 1HG2 VAL 21 -1.478 -6.535 -4.878 138 HG22 VAL 21 2HG2 VAL 21 0.229 -6.158 -4.650 139 HG23 VAL 21 3HG2 VAL 21 -0.566 -5.760 -6.173 140 H THR 22 H THR 22 -0.953 -5.680 -8.502 141 HA THR 22 HA THR 22 -3.854 -5.900 -8.067 142 HB THR 22 HB THR 22 -3.927 -3.449 -8.367 143 HG1 THR 22 1HG THR 22 -1.586 -3.757 -9.449 144 HG21 THR 22 1HG2 THR 22 -2.373 -2.956 -6.294 145 HG22 THR 22 2HG2 THR 22 -2.268 -4.716 -6.238 146 HG23 THR 22 3HG2 THR 22 -3.838 -3.922 -6.120 147 H LYS 23 H LYS 23 -2.254 -7.076 -10.298 148 HA LYS 23 HA LYS 23 -2.748 -5.585 -12.661 149 HB2 LYS 23 1HB LYS 23 -1.893 -8.360 -12.017 150 HB3 LYS 23 2HB LYS 23 -2.544 -8.072 -13.626 151 HG2 LYS 23 1HG LYS 23 -0.850 -6.492 -14.125 152 HG3 LYS 23 2HG LYS 23 -0.308 -6.445 -12.446 153 HD2 LYS 23 1HD LYS 23 1.273 -7.823 -13.408 154 HD3 LYS 23 2HD LYS 23 0.103 -8.997 -12.801 155 HE2 LYS 23 1HE LYS 23 -0.965 -8.867 -15.116 156 HE3 LYS 23 2HE LYS 23 0.509 -8.042 -15.622 157 HZ1 LYS 23 1HZ LYS 23 1.360 -10.270 -14.263 158 HZ2 LYS 23 2HZ LYS 23 1.369 -10.047 -15.939 159 HZ3 LYS 23 3HZ LYS 23 0.060 -10.818 -15.195 160 H ASN 24 H ASN 24 -4.450 -8.301 -11.127 161 HA ASN 24 HA ASN 24 -6.642 -8.020 -13.036 162 HB2 ASN 24 1HB ASN 24 -6.644 -10.012 -10.798 163 HB3 ASN 24 2HB ASN 24 -7.340 -10.147 -12.410 164 HD21 ASN 24 1HD2 ASN 24 -5.257 -9.506 -14.017 165 HD22 ASN 24 2HD2 ASN 24 -3.988 -10.665 -13.840 166 H TYR 25 H TYR 25 -6.390 -5.820 -11.412 167 HA TYR 25 HA TYR 25 -8.660 -6.112 -9.555 168 HB2 TYR 25 1HB TYR 25 -6.141 -4.503 -9.360 169 HB3 TYR 25 2HB TYR 25 -7.595 -3.941 -8.544 170 HD1 TYR 25 2HD TYR 25 -5.602 -7.084 -8.920 171 HD2 TYR 25 1HD TYR 25 -7.900 -4.588 -6.352 172 HE1 TYR 25 2HE TYR 25 -5.117 -8.587 -7.034 173 HE2 TYR 25 1HE TYR 25 -7.420 -6.083 -4.459 174 HH TYR 25 HH TYR 25 -5.737 -7.742 -3.804 175 H ARG 26 H ARG 26 -9.834 -3.984 -9.203 176 HA ARG 26 HA ARG 26 -10.158 -2.631 -11.800 177 HB2 ARG 26 1HB ARG 26 -12.185 -3.236 -9.644 178 HB3 ARG 26 2HB ARG 26 -12.504 -2.167 -11.004 179 HG2 ARG 26 1HG ARG 26 -11.527 -4.929 -11.537 180 HG3 ARG 26 2HG ARG 26 -13.213 -4.680 -11.078 181 HD2 ARG 26 1HD ARG 26 -11.779 -3.389 -13.397 182 HD3 ARG 26 2HD ARG 26 -12.970 -4.685 -13.498 183 HE ARG 26 HE ARG 26 -14.354 -2.774 -12.239 184 HH11 ARG 26 1HH1 ARG 26 -12.349 -2.679 -15.084 185 HH12 ARG 26 2HH1 ARG 26 -13.241 -1.394 -15.828 186 HH21 ARG 26 1HH2 ARG 26 -15.536 -1.081 -13.209 187 HH22 ARG 26 2HH2 ARG 26 -15.053 -0.485 -14.761 188 H GLY 27 H GLY 27 -9.841 -0.496 -11.885 189 HA2 GLY 27 1HA GLY 27 -9.481 1.674 -11.224 190 HA3 GLY 27 2HA GLY 27 -10.443 1.311 -9.800 191 H VAL 28 H VAL 28 -7.322 0.034 -10.936 192 HA VAL 28 HA VAL 28 -6.081 1.106 -8.493 193 HB VAL 28 HB VAL 28 -5.431 -1.625 -9.593 194 HG11 VAL 28 1HG1 VAL 28 -4.277 0.090 -7.601 195 HG12 VAL 28 2HG1 VAL 28 -4.842 -1.409 -6.860 196 HG13 VAL 28 3HG1 VAL 28 -3.703 -1.463 -8.206 197 HG21 VAL 28 1HG2 VAL 28 -7.640 -1.900 -8.874 198 HG22 VAL 28 2HG2 VAL 28 -6.671 -2.408 -7.491 199 HG23 VAL 28 3HG2 VAL 28 -7.425 -0.813 -7.501 200 H LYS 29 H LYS 29 -4.716 2.598 -9.248 201 HA LYS 29 HA LYS 29 -2.775 1.771 -11.290 202 HB2 LYS 29 1HB LYS 29 -2.887 4.089 -12.240 203 HB3 LYS 29 2HB LYS 29 -4.332 3.122 -12.506 204 HG2 LYS 29 1HG LYS 29 -5.345 5.020 -11.834 205 HG3 LYS 29 2HG LYS 29 -5.047 4.332 -10.235 206 HD2 LYS 29 1HD LYS 29 -4.173 6.408 -9.896 207 HD3 LYS 29 2HD LYS 29 -2.737 5.611 -10.542 208 HE2 LYS 29 1HE LYS 29 -2.863 6.706 -12.543 209 HE3 LYS 29 2HE LYS 29 -4.617 6.868 -12.469 210 HZ1 LYS 29 1HZ LYS 29 -4.460 8.687 -11.043 211 HZ2 LYS 29 2HZ LYS 29 -3.230 8.960 -12.172 212 HZ3 LYS 29 3HZ LYS 29 -2.849 8.367 -10.634 213 H ILE 30 H ILE 30 -0.737 2.129 -10.697 214 HA ILE 30 HA ILE 30 -0.254 3.975 -8.452 215 HB ILE 30 HB ILE 30 1.353 1.552 -9.271 216 HG12 ILE 30 1HG1 ILE 30 0.578 1.021 -6.764 217 HG13 ILE 30 2HG1 ILE 30 -0.773 2.041 -7.248 218 HG21 ILE 30 1HG2 ILE 30 1.862 2.763 -6.661 219 HG22 ILE 30 2HG2 ILE 30 2.992 2.179 -7.881 220 HG23 ILE 30 3HG2 ILE 30 2.295 3.792 -8.026 221 HD11 ILE 30 1HD1 ILE 30 -1.615 0.488 -8.633 222 HD12 ILE 30 2HD1 ILE 30 -0.025 -0.077 -9.146 223 HD13 ILE 30 3HD1 ILE 30 -0.697 -0.613 -7.606 224 H THR 31 H THR 31 0.021 5.788 -9.807 225 HA THR 31 HA THR 31 2.206 5.719 -11.742 226 HB THR 31 HB THR 31 0.115 6.829 -12.409 227 HG1 THR 31 1HG THR 31 2.486 8.355 -12.157 228 HG21 THR 31 1HG2 THR 31 -0.998 8.103 -10.960 229 HG22 THR 31 2HG2 THR 31 0.310 9.285 -11.023 230 HG23 THR 31 3HG2 THR 31 0.336 8.004 -9.811 231 H ASN 32 H ASN 32 1.403 7.025 -8.604 232 HA ASN 32 HA ASN 32 4.186 7.777 -8.220 233 HB2 ASN 32 1HB ASN 32 2.196 9.814 -7.339 234 HB3 ASN 32 2HB ASN 32 3.877 10.021 -7.823 235 HD21 ASN 32 1HD2 ASN 32 0.874 10.799 -8.663 236 HD22 ASN 32 2HD2 ASN 32 1.038 10.913 -10.379 237 H PHE 33 H PHE 33 4.841 7.764 -6.074 238 HA PHE 33 HA PHE 33 3.158 6.241 -4.300 239 HB2 PHE 33 1HB PHE 33 5.981 7.261 -4.173 240 HB3 PHE 33 2HB PHE 33 5.203 6.600 -2.738 241 HD1 PHE 33 2HD PHE 33 4.029 4.257 -3.134 242 HD2 PHE 33 1HD PHE 33 7.198 5.839 -5.494 243 HE1 PHE 33 2HE PHE 33 4.617 1.982 -3.864 244 HE2 PHE 33 1HE PHE 33 7.790 3.567 -6.229 245 HZ PHE 33 HZ PHE 33 6.500 1.635 -5.413 246 H THR 34 H THR 34 2.041 8.744 -4.882 247 HA THR 34 HA THR 34 2.137 10.011 -2.225 248 HB THR 34 HB THR 34 1.611 12.191 -3.374 249 HG1 THR 34 1HG THR 34 1.362 12.161 -5.469 250 HG21 THR 34 1HG2 THR 34 4.082 10.893 -2.986 251 HG22 THR 34 2HG2 THR 34 3.775 12.627 -3.075 252 HG23 THR 34 3HG2 THR 34 4.192 11.729 -4.534 253 H THR 35 H THR 35 0.186 10.349 -5.191 254 HA THR 35 HA THR 35 -2.235 10.458 -3.595 255 HB THR 35 HB THR 35 -3.387 10.925 -5.712 256 HG1 THR 35 1HG THR 35 -1.748 11.282 -7.536 257 HG21 THR 35 1HG2 THR 35 -1.117 12.720 -6.088 258 HG22 THR 35 2HG2 THR 35 -1.613 12.572 -4.402 259 HG23 THR 35 3HG2 THR 35 -2.778 13.081 -5.623 260 H SER 36 H SER 36 -0.699 8.314 -5.935 261 HA SER 36 HA SER 36 -2.695 6.553 -6.543 262 HB2 SER 36 1HB SER 36 0.166 5.825 -5.870 263 HB3 SER 36 2HB SER 36 -0.957 4.831 -6.796 264 HG SER 36 HG SER 36 -1.012 6.472 -8.369 265 H TRP 37 H TRP 37 -1.092 6.968 -3.489 266 HA TRP 37 HA TRP 37 -2.580 4.675 -2.395 267 HB2 TRP 37 1HB TRP 37 -0.237 6.057 -1.086 268 HB3 TRP 37 2HB TRP 37 -0.943 4.498 -0.670 269 HD1 TRP 37 HD TRP 37 1.134 6.140 -3.486 270 HE1 TRP 37 1HE TRP 37 2.522 4.300 -4.632 271 HE3 TRP 37 3HE TRP 37 -0.730 2.065 -1.024 272 HZ2 TRP 37 2HZ TRP 37 2.790 1.493 -4.510 273 HZ3 TRP 37 3HZ TRP 37 0.145 -0.162 -1.599 274 HH2 TRP 37 HH TRP 37 1.868 -0.440 -3.306 275 H ARG 38 H ARG 38 -2.185 8.091 -2.309 276 HA ARG 38 HA ARG 38 -2.905 9.003 0.094 277 HB2 ARG 38 1HB ARG 38 -2.788 10.654 -1.529 278 HB3 ARG 38 2HB ARG 38 -3.851 9.790 -2.632 279 HG2 ARG 38 1HG ARG 38 -5.756 10.558 -1.622 280 HG3 ARG 38 2HG ARG 38 -4.966 10.786 -0.061 281 HD2 ARG 38 1HD ARG 38 -5.227 12.964 -0.757 282 HD3 ARG 38 2HD ARG 38 -3.602 12.606 -1.340 283 HE ARG 38 HE ARG 38 -5.100 11.967 -3.464 284 HH11 ARG 38 1HH1 ARG 38 -5.085 14.770 -1.400 285 HH12 ARG 38 2HH1 ARG 38 -5.613 15.852 -2.645 286 HH21 ARG 38 1HH2 ARG 38 -5.796 13.381 -5.113 287 HH22 ARG 38 2HH2 ARG 38 -6.018 15.061 -4.757 288 H ASN 39 H ASN 39 -5.345 7.872 -2.253 289 HA ASN 39 HA ASN 39 -7.534 8.015 -0.516 290 HB2 ASN 39 1HB ASN 39 -8.575 6.338 -2.116 291 HB3 ASN 39 2HB ASN 39 -7.975 7.824 -2.845 292 HD21 ASN 39 1HD2 ASN 39 -8.436 5.418 -4.224 293 HD22 ASN 39 2HD2 ASN 39 -6.921 4.846 -4.825 294 H GLY 40 H GLY 40 -5.630 5.148 -1.468 295 HA2 GLY 40 1HA GLY 40 -4.885 3.724 0.439 296 HA3 GLY 40 2HA GLY 40 -6.528 3.873 1.043 297 H LEU 41 H LEU 41 -7.047 3.718 -2.113 298 HA LEU 41 HA LEU 41 -8.166 1.202 -2.166 299 HB2 LEU 41 1HB LEU 41 -7.120 2.986 -4.332 300 HB3 LEU 41 2HB LEU 41 -7.795 1.404 -4.715 301 HG LEU 41 HG LEU 41 -9.210 3.771 -3.505 302 HD11 LEU 41 1HD1 LEU 41 -10.719 3.248 -5.508 303 HD12 LEU 41 2HD1 LEU 41 -9.367 2.287 -6.105 304 HD13 LEU 41 3HD1 LEU 41 -9.163 4.016 -5.823 305 HD21 LEU 41 1HD2 LEU 41 -10.097 0.905 -3.744 306 HD22 LEU 41 2HD2 LEU 41 -11.220 2.252 -3.554 307 HD23 LEU 41 3HD2 LEU 41 -10.034 1.907 -2.294 308 H SER 42 H SER 42 -5.005 2.128 -3.536 309 HA SER 42 HA SER 42 -4.185 -0.390 -4.357 310 HB2 SER 42 1HB SER 42 -2.302 1.666 -3.201 311 HB3 SER 42 2HB SER 42 -1.979 0.489 -4.474 312 HG SER 42 HG SER 42 -3.820 1.727 -5.561 313 H PHE 43 H PHE 43 -3.694 1.193 -1.217 314 HA PHE 43 HA PHE 43 -2.133 -0.724 0.022 315 HB2 PHE 43 1HB PHE 43 -4.105 1.294 1.002 316 HB3 PHE 43 2HB PHE 43 -3.501 0.092 2.138 317 HD1 PHE 43 2HD PHE 43 -0.761 -0.240 1.640 318 HD2 PHE 43 1HD PHE 43 -3.074 3.314 1.277 319 HE1 PHE 43 2HE PHE 43 1.265 1.111 1.991 320 HE2 PHE 43 1HE PHE 43 -1.052 4.671 1.627 321 HZ PHE 43 HZ PHE 43 1.122 3.570 1.986 322 H CYS 44 H CYS 44 -5.682 -0.523 -0.070 323 HA CYS 44 HA CYS 44 -6.115 -2.904 1.401 324 HB2 CYS 44 1HB CYS 44 -7.874 -1.304 -0.455 325 HB3 CYS 44 2HB CYS 44 -8.442 -2.747 0.377 326 HG CYS 44 HG CYS 44 -7.688 0.299 1.667 327 H ALA 45 H ALA 45 -6.052 -2.199 -2.072 328 HA ALA 45 HA ALA 45 -6.854 -4.607 -3.117 329 HB1 ALA 45 1HB ALA 45 -5.938 -3.936 -5.116 330 HB2 ALA 45 2HB ALA 45 -6.060 -2.396 -4.264 331 HB3 ALA 45 3HB ALA 45 -4.511 -3.235 -4.352 332 H ILE 46 H ILE 46 -3.497 -3.700 -2.319 333 HA ILE 46 HA ILE 46 -2.245 -6.075 -2.946 334 HB ILE 46 HB ILE 46 -1.640 -4.039 -0.819 335 HG12 ILE 46 1HG1 ILE 46 -0.008 -4.764 -3.242 336 HG13 ILE 46 2HG1 ILE 46 -1.364 -3.647 -3.354 337 HG21 ILE 46 1HG2 ILE 46 -0.114 -6.552 -1.463 338 HG22 ILE 46 2HG2 ILE 46 0.592 -5.175 -0.619 339 HG23 ILE 46 3HG2 ILE 46 -0.762 -6.048 0.098 340 HD11 ILE 46 1HD1 ILE 46 1.135 -2.853 -2.927 341 HD12 ILE 46 2HD1 ILE 46 -0.263 -1.993 -2.280 342 HD13 ILE 46 3HD1 ILE 46 0.640 -3.107 -1.254 343 H LEU 47 H LEU 47 -3.320 -5.135 0.328 344 HA LEU 47 HA LEU 47 -2.875 -7.609 1.535 345 HB2 LEU 47 1HB LEU 47 -3.316 -5.459 2.704 346 HB3 LEU 47 2HB LEU 47 -5.014 -5.612 2.258 347 HG LEU 47 HG LEU 47 -5.145 -7.684 3.598 348 HD11 LEU 47 1HD1 LEU 47 -3.047 -8.616 3.710 349 HD12 LEU 47 2HD1 LEU 47 -3.172 -7.859 5.298 350 HD13 LEU 47 3HD1 LEU 47 -2.256 -7.070 4.015 351 HD21 LEU 47 1HD2 LEU 47 -5.644 -5.369 4.490 352 HD22 LEU 47 2HD2 LEU 47 -4.058 -5.424 5.259 353 HD23 LEU 47 3HD2 LEU 47 -5.291 -6.608 5.694 354 H HIS 48 H HIS 48 -5.424 -6.550 -0.541 355 HA HIS 48 HA HIS 48 -7.302 -8.588 0.210 356 HB2 HIS 48 1HB HIS 48 -7.919 -6.370 -0.819 357 HB3 HIS 48 2HB HIS 48 -7.265 -6.968 -2.341 358 HD1 HIS 48 1HD HIS 48 -8.700 -8.576 -3.686 359 HD2 HIS 48 2HD HIS 48 -10.322 -7.641 0.023 360 HE1 HIS 48 1HE HIS 48 -11.045 -9.484 -3.729 361 HE2 HIS 48 2HE HIS 48 -12.034 -8.831 -1.506 362 H HIS 49 H HIS 49 -4.780 -8.224 -2.194 363 HA HIS 49 HA HIS 49 -5.450 -10.346 -3.889 364 HB2 HIS 49 1HB HIS 49 -3.622 -8.516 -4.131 365 HB3 HIS 49 2HB HIS 49 -2.596 -9.650 -3.257 366 HD1 HIS 49 1HD HIS 49 -5.089 -10.400 -6.024 367 HD2 HIS 49 2HD HIS 49 -1.019 -10.649 -5.228 368 HE1 HIS 49 1HE HIS 49 -4.089 -11.591 -8.000 369 HE2 HIS 49 2HE HIS 49 -1.639 -11.806 -7.456 370 H PHE 50 H PHE 50 -3.370 -10.286 -1.009 371 HA PHE 50 HA PHE 50 -2.759 -13.065 -1.114 372 HB2 PHE 50 1HB PHE 50 -2.641 -11.429 1.404 373 HB3 PHE 50 2HB PHE 50 -1.585 -12.739 0.889 374 HD1 PHE 50 1HD PHE 50 -0.951 -11.861 -1.869 375 HD2 PHE 50 2HD PHE 50 -1.169 -9.666 1.771 376 HE1 PHE 50 1HE PHE 50 0.648 -10.221 -2.766 377 HE2 PHE 50 2HE PHE 50 0.429 -8.022 0.879 378 HZ PHE 50 HZ PHE 50 1.339 -8.297 -1.392 379 H ARG 51 H ARG 51 -5.172 -11.132 0.579 380 HA ARG 51 HA ARG 51 -6.696 -13.565 1.103 381 HB2 ARG 51 1HB ARG 51 -5.519 -11.791 3.175 382 HB3 ARG 51 2HB ARG 51 -7.163 -12.352 3.446 383 HG2 ARG 51 1HG ARG 51 -4.681 -14.012 3.115 384 HG3 ARG 51 2HG ARG 51 -5.715 -13.871 4.538 385 HD2 ARG 51 1HD ARG 51 -7.546 -14.726 2.819 386 HD3 ARG 51 2HD ARG 51 -6.125 -15.403 2.027 387 HE ARG 51 HE ARG 51 -6.032 -16.050 4.753 388 HH11 ARG 51 1HH1 ARG 51 -7.880 -16.785 1.895 389 HH12 ARG 51 2HH1 ARG 51 -8.318 -18.374 2.429 390 HH21 ARG 51 1HH2 ARG 51 -6.602 -18.140 5.466 391 HH22 ARG 51 2HH2 ARG 51 -7.591 -19.143 4.461 392 HA PRO 52 HA PRO 52 -9.581 -10.510 -0.534 393 HB2 PRO 52 1HB PRO 52 -11.489 -12.333 -1.171 394 HB3 PRO 52 2HB PRO 52 -10.076 -12.027 -2.187 395 HG2 PRO 52 1HG PRO 52 -10.548 -14.225 -0.210 396 HG3 PRO 52 2HG PRO 52 -9.832 -14.312 -1.830 397 HD2 PRO 52 1HD PRO 52 -8.334 -14.294 0.426 398 HD3 PRO 52 2HD PRO 52 -7.775 -13.574 -1.097 399 H ASP 53 H ASP 53 -9.564 -12.276 2.268 400 HA ASP 53 HA ASP 53 -12.259 -11.392 3.054 401 HB2 ASP 53 1HB ASP 53 -10.465 -13.548 4.175 402 HB3 ASP 53 2HB ASP 53 -11.936 -13.004 4.977 403 H LEU 54 H LEU 54 -8.855 -11.188 3.810 404 HA LEU 54 HA LEU 54 -8.824 -10.136 6.336 405 HB2 LEU 54 1HB LEU 54 -7.140 -9.753 3.924 406 HB3 LEU 54 2HB LEU 54 -6.907 -8.632 5.264 407 HG LEU 54 HG LEU 54 -6.674 -11.633 5.472 408 HD11 LEU 54 1HD1 LEU 54 -4.937 -10.102 4.126 409 HD12 LEU 54 2HD1 LEU 54 -4.453 -11.503 5.081 410 HD13 LEU 54 3HD1 LEU 54 -4.314 -9.883 5.762 411 HD21 LEU 54 1HD2 LEU 54 -5.416 -9.905 7.473 412 HD22 LEU 54 2HD2 LEU 54 -6.356 -11.384 7.677 413 HD23 LEU 54 3HD2 LEU 54 -7.179 -9.838 7.461 414 H ILE 55 H ILE 55 -9.551 -8.452 3.316 415 HA ILE 55 HA ILE 55 -10.543 -6.187 4.917 416 HB ILE 55 HB ILE 55 -9.657 -5.664 2.134 417 HG12 ILE 55 1HG1 ILE 55 -7.339 -5.128 3.320 418 HG13 ILE 55 2HG1 ILE 55 -7.841 -6.451 4.367 419 HG21 ILE 55 1HG2 ILE 55 -8.739 -3.629 3.594 420 HG22 ILE 55 2HG2 ILE 55 -10.407 -3.724 3.035 421 HG23 ILE 55 3HG2 ILE 55 -10.002 -4.202 4.683 422 HD11 ILE 55 1HD1 ILE 55 -8.276 -7.341 1.753 423 HD12 ILE 55 2HD1 ILE 55 -6.706 -6.538 1.743 424 HD13 ILE 55 3HD1 ILE 55 -7.016 -7.854 2.876 425 H ASP 56 H ASP 56 -11.993 -4.749 3.386 426 HA ASP 56 HA ASP 56 -13.936 -6.582 2.150 427 HB2 ASP 56 1HB ASP 56 -14.495 -5.025 4.190 428 HB3 ASP 56 2HB ASP 56 -14.624 -3.779 2.951 429 H TYR 57 H TYR 57 -11.578 -5.485 0.817 430 HA TYR 57 HA TYR 57 -12.079 -3.303 -0.812 431 HB2 TYR 57 1HB TYR 57 -9.908 -4.547 -0.612 432 HB3 TYR 57 2HB TYR 57 -10.586 -5.794 -1.652 433 HD1 TYR 57 2HD TYR 57 -11.161 -5.242 -4.017 434 HD2 TYR 57 1HD TYR 57 -9.064 -2.516 -1.512 435 HE1 TYR 57 2HE TYR 57 -10.433 -3.986 -6.003 436 HE2 TYR 57 1HE TYR 57 -8.331 -1.252 -3.491 437 HH TYR 57 HH TYR 57 -9.376 -2.180 -6.754 438 H LYS 58 H LYS 58 -13.482 -6.440 -0.883 439 HA LYS 58 HA LYS 58 -14.247 -6.599 -3.584 440 HB2 LYS 58 1HB LYS 58 -15.846 -8.270 -2.867 441 HB3 LYS 58 2HB LYS 58 -14.336 -8.496 -1.995 442 HG2 LYS 58 1HG LYS 58 -15.232 -7.652 0.000 443 HG3 LYS 58 2HG LYS 58 -16.623 -6.946 -0.826 444 HD2 LYS 58 1HD LYS 58 -16.142 -9.906 -0.862 445 HD3 LYS 58 2HD LYS 58 -16.951 -9.134 0.503 446 HE2 LYS 58 1HE LYS 58 -17.819 -8.992 -2.383 447 HE3 LYS 58 2HE LYS 58 -18.559 -9.988 -1.132 448 HZ1 LYS 58 1HZ LYS 58 -18.929 -7.207 -1.697 449 HZ2 LYS 58 2HZ LYS 58 -18.570 -7.483 -0.068 450 HZ3 LYS 58 3HZ LYS 58 -19.891 -8.259 -0.785 451 H SER 59 H SER 59 -15.462 -4.729 -0.949 452 HA SER 59 HA SER 59 -17.585 -3.694 -2.703 453 HB2 SER 59 1HB SER 59 -18.315 -5.240 -0.716 454 HB3 SER 59 2HB SER 59 -17.999 -3.810 0.266 455 HG SER 59 HG SER 59 -20.156 -4.344 -1.144 456 H LEU 60 H LEU 60 -14.863 -2.753 -2.112 457 HA LEU 60 HA LEU 60 -15.312 -0.348 -0.524 458 HB2 LEU 60 1HB LEU 60 -12.906 -1.702 -1.667 459 HB3 LEU 60 2HB LEU 60 -12.819 -0.006 -1.198 460 HG LEU 60 HG LEU 60 -13.244 -2.414 0.546 461 HD11 LEU 60 1HD1 LEU 60 -10.995 -1.018 -0.169 462 HD12 LEU 60 2HD1 LEU 60 -11.168 -2.030 1.265 463 HD13 LEU 60 3HD1 LEU 60 -11.431 -0.290 1.376 464 HD21 LEU 60 1HD2 LEU 60 -14.071 0.408 1.003 465 HD22 LEU 60 2HD2 LEU 60 -13.387 -0.501 2.351 466 HD23 LEU 60 3HD2 LEU 60 -14.832 -1.093 1.530 467 H ASN 61 H ASN 61 -13.826 1.556 -1.623 468 HA ASN 61 HA ASN 61 -14.059 1.874 -4.422 469 HB2 ASN 61 1HB ASN 61 -16.290 2.905 -2.717 470 HB3 ASN 61 2HB ASN 61 -15.782 3.848 -4.116 471 HD21 ASN 61 1HD2 ASN 61 -15.187 1.958 -5.948 472 HD22 ASN 61 2HD2 ASN 61 -16.596 1.040 -6.346 473 HA PRO 62 HA PRO 62 -11.267 5.164 -3.629 474 HB2 PRO 62 1HB PRO 62 -11.797 6.876 -5.668 475 HB3 PRO 62 2HB PRO 62 -10.971 5.330 -5.902 476 HG2 PRO 62 1HG PRO 62 -13.846 6.029 -6.357 477 HG3 PRO 62 2HG PRO 62 -12.757 5.061 -7.367 478 HD2 PRO 62 1HD PRO 62 -14.582 3.945 -5.707 479 HD3 PRO 62 2HD PRO 62 -13.023 3.176 -6.066 480 H GLN 63 H GLN 63 -14.494 5.499 -3.087 481 HA GLN 63 HA GLN 63 -14.618 8.351 -2.713 482 HB2 GLN 63 1HB GLN 63 -16.833 7.820 -1.647 483 HB3 GLN 63 2HB GLN 63 -16.658 7.269 -3.308 484 HG2 GLN 63 1HG GLN 63 -17.767 5.619 -1.876 485 HG3 GLN 63 2HG GLN 63 -16.262 5.013 -2.568 486 HE21 GLN 63 1HE2 GLN 63 -15.539 3.607 -1.114 487 HE22 GLN 63 2HE2 GLN 63 -15.277 3.943 0.560 488 H ASP 64 H ASP 64 -13.321 5.802 -0.967 489 HA ASP 64 HA ASP 64 -13.521 7.307 1.559 490 HB2 ASP 64 1HB ASP 64 -13.474 4.382 0.964 491 HB3 ASP 64 2HB ASP 64 -12.740 4.939 2.466 492 H ILE 65 H ILE 65 -11.736 8.420 1.964 493 HA ILE 65 HA ILE 65 -9.173 7.487 0.915 494 HB ILE 65 HB ILE 65 -9.987 10.112 2.159 495 HG12 ILE 65 1HG1 ILE 65 -9.037 9.463 -0.638 496 HG13 ILE 65 2HG1 ILE 65 -10.728 9.637 -0.183 497 HG21 ILE 65 1HG2 ILE 65 -7.415 8.936 2.081 498 HG22 ILE 65 2HG2 ILE 65 -7.438 10.245 0.900 499 HG23 ILE 65 3HG2 ILE 65 -7.858 10.568 2.582 500 HD11 ILE 65 1HD1 ILE 65 -8.596 11.753 -0.154 501 HD12 ILE 65 2HD1 ILE 65 -10.030 11.672 -1.178 502 HD13 ILE 65 3HD1 ILE 65 -10.198 11.964 0.553 503 H LYS 66 H LYS 66 -10.522 8.671 3.993 504 HA LYS 66 HA LYS 66 -8.252 7.952 5.535 505 HB2 LYS 66 1HB LYS 66 -10.263 9.580 6.041 506 HB3 LYS 66 2HB LYS 66 -10.977 8.139 6.752 507 HG2 LYS 66 1HG LYS 66 -9.427 8.036 8.442 508 HG3 LYS 66 2HG LYS 66 -8.206 8.919 7.522 509 HD2 LYS 66 1HD LYS 66 -8.960 10.391 9.219 510 HD3 LYS 66 2HD LYS 66 -9.702 10.945 7.716 511 HE2 LYS 66 1HE LYS 66 -11.363 10.992 9.442 512 HE3 LYS 66 2HE LYS 66 -11.751 9.677 8.334 513 HZ1 LYS 66 1HZ LYS 66 -11.233 9.568 11.114 514 HZ2 LYS 66 2HZ LYS 66 -10.129 8.588 10.288 515 HZ3 LYS 66 3HZ LYS 66 -11.791 8.345 10.087 516 H GLU 67 H GLU 67 -11.491 6.473 5.303 517 HA GLU 67 HA GLU 67 -11.057 4.271 6.913 518 HB2 GLU 67 1HB GLU 67 -13.243 4.954 5.919 519 HB3 GLU 67 2HB GLU 67 -12.705 4.294 4.380 520 HG2 GLU 67 1HG GLU 67 -13.917 2.541 5.174 521 HG3 GLU 67 2HG GLU 67 -12.323 2.126 5.802 522 H ASN 68 H ASN 68 -10.996 4.128 3.349 523 HA ASN 68 HA ASN 68 -10.010 1.695 2.872 524 HB2 ASN 68 1HB ASN 68 -9.269 4.311 1.582 525 HB3 ASN 68 2HB ASN 68 -8.589 2.792 1.005 526 HD21 ASN 68 1HD2 ASN 68 -9.850 3.888 -0.881 527 HD22 ASN 68 2HD2 ASN 68 -11.455 3.291 -1.113 528 H ASN 69 H ASN 69 -8.088 4.415 4.048 529 HA ASN 69 HA ASN 69 -5.613 2.975 4.002 530 HB2 ASN 69 1HB ASN 69 -6.528 5.647 4.937 531 HB3 ASN 69 2HB ASN 69 -5.058 5.002 5.662 532 HD21 ASN 69 1HD2 ASN 69 -6.596 5.628 2.544 533 HD22 ASN 69 2HD2 ASN 69 -5.134 5.986 1.696 534 H LYS 70 H LYS 70 -7.879 3.953 6.559 535 HA LYS 70 HA LYS 70 -6.508 2.914 8.744 536 HB2 LYS 70 1HB LYS 70 -8.381 4.320 9.149 537 HB3 LYS 70 2HB LYS 70 -9.454 3.281 8.220 538 HG2 LYS 70 1HG LYS 70 -9.608 1.708 9.906 539 HG3 LYS 70 2HG LYS 70 -8.106 2.233 10.672 540 HD2 LYS 70 1HD LYS 70 -9.690 3.094 12.113 541 HD3 LYS 70 2HD LYS 70 -9.405 4.467 11.040 542 HE2 LYS 70 1HE LYS 70 -11.364 3.488 9.664 543 HE3 LYS 70 2HE LYS 70 -11.737 2.588 11.133 544 HZ1 LYS 70 1HZ LYS 70 -11.669 5.529 10.782 545 HZ2 LYS 70 2HZ LYS 70 -11.729 4.789 12.301 546 HZ3 LYS 70 3HZ LYS 70 -12.995 4.566 11.201 547 H LYS 71 H LYS 71 -8.756 1.337 6.519 548 HA LYS 71 HA LYS 71 -9.097 -1.088 7.813 549 HB2 LYS 71 1HB LYS 71 -9.000 -0.379 4.888 550 HB3 LYS 71 2HB LYS 71 -9.331 -2.018 5.433 551 HG2 LYS 71 1HG LYS 71 -11.191 -0.938 6.849 552 HG3 LYS 71 2HG LYS 71 -10.982 0.451 5.780 553 HD2 LYS 71 1HD LYS 71 -11.809 -0.653 3.958 554 HD3 LYS 71 2HD LYS 71 -11.266 -2.231 4.533 555 HE2 LYS 71 1HE LYS 71 -13.384 -0.831 6.077 556 HE3 LYS 71 2HE LYS 71 -13.825 -1.542 4.526 557 HZ1 LYS 71 1HZ LYS 71 -13.930 -3.507 5.505 558 HZ2 LYS 71 2HZ LYS 71 -13.482 -2.829 6.989 559 HZ3 LYS 71 3HZ LYS 71 -12.296 -3.410 5.932 560 H ALA 72 H ALA 72 -6.561 -0.169 5.494 561 HA ALA 72 HA ALA 72 -5.198 -2.631 5.522 562 HB1 ALA 72 1HB ALA 72 -3.217 -1.059 4.825 563 HB2 ALA 72 2HB ALA 72 -4.581 -1.327 3.739 564 HB3 ALA 72 3HB ALA 72 -4.499 0.147 4.703 565 H TYR 73 H TYR 73 -4.184 0.426 7.066 566 HA TYR 73 HA TYR 73 -2.075 -0.367 8.533 567 HB2 TYR 73 1HB TYR 73 -4.315 1.378 9.576 568 HB3 TYR 73 2HB TYR 73 -2.677 1.320 10.218 569 HD1 TYR 73 1HD TYR 73 -1.118 1.253 7.683 570 HD2 TYR 73 2HD TYR 73 -4.503 3.578 8.798 571 HE1 TYR 73 1HE TYR 73 -0.432 3.002 6.096 572 HE2 TYR 73 2HE TYR 73 -3.826 5.333 7.213 573 HH TYR 73 HH TYR 73 -2.014 6.107 5.988 574 H ASP 74 H ASP 74 -5.439 -1.091 9.245 575 HA ASP 74 HA ASP 74 -4.904 -2.277 11.797 576 HB2 ASP 74 1HB ASP 74 -7.110 -1.277 11.102 577 HB3 ASP 74 2HB ASP 74 -7.344 -2.677 10.059 578 H GLY 75 H GLY 75 -5.338 -3.468 8.503 579 HA2 GLY 75 1HA GLY 75 -5.312 -6.233 9.222 580 HA3 GLY 75 2HA GLY 75 -5.112 -5.578 7.603 581 H PHE 76 H PHE 76 -2.890 -4.292 7.460 582 HA PHE 76 HA PHE 76 -0.860 -6.152 7.417 583 HB2 PHE 76 1HB PHE 76 -0.679 -3.143 7.640 584 HB3 PHE 76 2HB PHE 76 0.696 -4.185 7.287 585 HD1 PHE 76 1HD PHE 76 0.017 -5.993 5.328 586 HD2 PHE 76 2HD PHE 76 -1.518 -2.054 5.819 587 HE1 PHE 76 1HE PHE 76 -0.537 -5.914 2.931 588 HE2 PHE 76 2HE PHE 76 -2.075 -1.968 3.424 589 HZ PHE 76 HZ PHE 76 -1.585 -3.900 1.977 590 H ALA 77 H ALA 77 -1.453 -3.676 9.901 591 HA ALA 77 HA ALA 77 0.696 -4.404 11.573 592 HB1 ALA 77 1HB ALA 77 -0.355 -2.249 11.794 593 HB2 ALA 77 2HB ALA 77 -1.891 -3.001 12.228 594 HB3 ALA 77 3HB ALA 77 -0.509 -3.125 13.317 595 H SER 78 H SER 78 -2.494 -5.710 11.152 596 HA SER 78 HA SER 78 -3.006 -6.968 13.535 597 HB2 SER 78 1HB SER 78 -4.422 -6.967 11.412 598 HB3 SER 78 2HB SER 78 -3.439 -8.328 10.875 599 HG SER 78 HG SER 78 -5.423 -8.227 12.775 600 H ILE 79 H ILE 79 -0.675 -7.847 11.078 601 HA ILE 79 HA ILE 79 -0.004 -10.323 12.472 602 HB ILE 79 HB ILE 79 1.707 -10.508 10.565 603 HG12 ILE 79 1HG1 ILE 79 -0.101 -8.432 9.318 604 HG13 ILE 79 2HG1 ILE 79 1.495 -8.066 9.962 605 HG21 ILE 79 1HG2 ILE 79 -1.184 -10.904 10.578 606 HG22 ILE 79 2HG2 ILE 79 -0.491 -10.819 8.960 607 HG23 ILE 79 3HG2 ILE 79 0.110 -12.008 10.115 608 HD11 ILE 79 1HD1 ILE 79 2.569 -9.070 8.237 609 HD12 ILE 79 2HD1 ILE 79 1.289 -10.255 7.981 610 HD13 ILE 79 3HD1 ILE 79 1.086 -8.600 7.407 611 H GLY 80 H GLY 80 1.243 -7.107 11.892 612 HA2 GLY 80 1HA GLY 80 2.786 -6.772 14.058 613 HA3 GLY 80 2HA GLY 80 3.839 -7.734 13.032 614 H ILE 81 H ILE 81 2.584 -6.402 10.624 615 HA ILE 81 HA ILE 81 4.542 -4.472 10.170 616 HB ILE 81 HB ILE 81 1.859 -4.857 8.846 617 HG12 ILE 81 1HG1 ILE 81 4.633 -5.496 7.833 618 HG13 ILE 81 2HG1 ILE 81 3.619 -6.663 8.675 619 HG21 ILE 81 1HG2 ILE 81 3.971 -2.822 8.405 620 HG22 ILE 81 2HG2 ILE 81 3.208 -3.532 6.983 621 HG23 ILE 81 3HG2 ILE 81 2.224 -2.708 8.192 622 HD11 ILE 81 1HD1 ILE 81 2.614 -7.175 6.778 623 HD12 ILE 81 2HD1 ILE 81 2.112 -5.498 6.563 624 HD13 ILE 81 3HD1 ILE 81 3.665 -6.041 5.930 625 H SER 82 H SER 82 4.645 -2.999 11.864 626 HA SER 82 HA SER 82 2.642 -1.606 13.096 627 HB2 SER 82 1HB SER 82 5.453 -0.806 12.378 628 HB3 SER 82 2HB SER 82 4.390 0.297 13.251 629 HG SER 82 HG SER 82 5.397 -0.821 14.822 630 H ARG 83 H ARG 83 2.238 0.835 12.843 631 HA ARG 83 HA ARG 83 1.562 1.342 10.024 632 HB2 ARG 83 1HB ARG 83 -0.125 2.966 11.051 633 HB3 ARG 83 2HB ARG 83 -0.449 1.248 11.240 634 HG2 ARG 83 1HG ARG 83 1.060 2.625 13.393 635 HG3 ARG 83 2HG ARG 83 -0.671 2.940 13.249 636 HD2 ARG 83 1HD ARG 83 -0.748 0.294 13.067 637 HD3 ARG 83 2HD ARG 83 0.759 0.439 13.970 638 HE ARG 83 HE ARG 83 -1.221 2.032 15.181 639 HH11 ARG 83 1HH1 ARG 83 -0.353 -1.306 14.706 640 HH12 ARG 83 2HH1 ARG 83 -1.114 -1.847 16.165 641 HH21 ARG 83 1HH2 ARG 83 -2.226 1.332 17.105 642 HH22 ARG 83 2HH2 ARG 83 -2.180 -0.346 17.529 643 H LEU 84 H LEU 84 3.089 2.602 9.155 644 HA LEU 84 HA LEU 84 4.383 4.670 10.734 645 HB2 LEU 84 1HB LEU 84 4.782 3.663 7.928 646 HB3 LEU 84 2HB LEU 84 5.653 5.050 8.579 647 HG LEU 84 HG LEU 84 6.457 3.444 10.410 648 HD11 LEU 84 1HD1 LEU 84 6.454 1.124 8.810 649 HD12 LEU 84 2HD1 LEU 84 4.786 1.690 8.903 650 HD13 LEU 84 3HD1 LEU 84 5.691 1.367 10.382 651 HD21 LEU 84 1HD2 LEU 84 8.384 3.171 9.250 652 HD22 LEU 84 2HD2 LEU 84 7.589 4.292 8.144 653 HD23 LEU 84 3HD2 LEU 84 7.565 2.559 7.813 654 H LEU 85 H LEU 85 2.132 4.380 8.047 655 HA LEU 85 HA LEU 85 1.883 7.306 7.951 656 HB2 LEU 85 1HB LEU 85 2.357 5.924 5.861 657 HB3 LEU 85 2HB LEU 85 0.694 5.356 5.999 658 HG LEU 85 HG LEU 85 -0.042 7.747 5.836 659 HD11 LEU 85 1HD1 LEU 85 2.526 8.378 6.365 660 HD12 LEU 85 2HD1 LEU 85 1.386 9.464 5.572 661 HD13 LEU 85 3HD1 LEU 85 2.517 8.516 4.607 662 HD21 LEU 85 1HD2 LEU 85 -0.351 6.559 3.878 663 HD22 LEU 85 2HD2 LEU 85 1.377 6.304 3.636 664 HD23 LEU 85 3HD2 LEU 85 0.671 7.894 3.344 665 H GLU 86 H GLU 86 -0.039 8.319 8.342 666 HA GLU 86 HA GLU 86 -2.117 6.671 9.585 667 HB2 GLU 86 1HB GLU 86 -1.743 9.670 9.667 668 HB3 GLU 86 2HB GLU 86 -2.920 8.747 10.591 669 HG2 GLU 86 1HG GLU 86 -0.012 8.141 10.865 670 HG3 GLU 86 2HG GLU 86 -0.711 9.525 11.704 671 HA PRO 87 HA PRO 87 -4.940 7.220 6.264 672 HB2 PRO 87 1HB PRO 87 -7.292 7.062 7.612 673 HB3 PRO 87 2HB PRO 87 -6.260 5.659 7.311 674 HG2 PRO 87 1HG PRO 87 -6.509 7.333 9.781 675 HG3 PRO 87 2HG PRO 87 -6.401 5.569 9.631 676 HD2 PRO 87 1HD PRO 87 -4.277 7.106 10.306 677 HD3 PRO 87 2HD PRO 87 -4.111 5.605 9.374 678 H SER 88 H SER 88 -5.902 9.038 9.184 679 HA SER 88 HA SER 88 -7.473 10.960 7.960 680 HB2 SER 88 1HB SER 88 -7.060 12.352 9.938 681 HB3 SER 88 2HB SER 88 -7.321 10.671 10.404 682 HG SER 88 HG SER 88 -4.931 10.534 10.347 683 H ASP 89 H ASP 89 -4.023 11.248 8.816 684 HA ASP 89 HA ASP 89 -3.381 13.702 7.925 685 HB2 ASP 89 1HB ASP 89 -1.873 11.117 7.564 686 HB3 ASP 89 2HB ASP 89 -1.185 12.670 7.094 687 H MET 90 H MET 90 -3.715 10.852 5.825 688 HA MET 90 HA MET 90 -3.040 11.964 3.399 689 HB2 MET 90 1HB MET 90 -5.250 9.968 3.922 690 HB3 MET 90 2HB MET 90 -4.484 10.263 2.367 691 HG2 MET 90 1HG MET 90 -2.844 9.443 4.724 692 HG3 MET 90 2HG MET 90 -3.743 8.244 3.797 693 HE1 MET 90 1HE MET 90 -2.049 6.807 2.809 694 HE2 MET 90 2HE MET 90 -3.005 7.348 1.430 695 HE3 MET 90 3HE MET 90 -1.248 7.258 1.304 696 H VAL 91 H VAL 91 -6.202 12.014 5.010 697 HA VAL 91 HA VAL 91 -7.537 13.429 2.944 698 HB VAL 91 HB VAL 91 -8.280 13.326 5.870 699 HG11 VAL 91 1HG1 VAL 91 -10.228 14.304 5.338 700 HG12 VAL 91 2HG1 VAL 91 -9.370 14.861 3.900 701 HG13 VAL 91 3HG1 VAL 91 -10.375 13.413 3.823 702 HG21 VAL 91 1HG2 VAL 91 -7.900 11.094 4.674 703 HG22 VAL 91 2HG2 VAL 91 -9.448 11.332 5.485 704 HG23 VAL 91 3HG2 VAL 91 -9.336 11.500 3.734 705 H LEU 92 H LEU 92 -6.102 14.455 6.029 706 HA LEU 92 HA LEU 92 -6.782 17.145 5.941 707 HB2 LEU 92 1HB LEU 92 -4.185 16.040 6.988 708 HB3 LEU 92 2HB LEU 92 -4.989 17.528 7.485 709 HG LEU 92 HG LEU 92 -6.118 14.769 7.943 710 HD11 LEU 92 1HD1 LEU 92 -3.926 15.259 9.118 711 HD12 LEU 92 2HD1 LEU 92 -5.294 14.832 10.146 712 HD13 LEU 92 3HD1 LEU 92 -4.795 16.517 9.997 713 HD21 LEU 92 1HD2 LEU 92 -7.719 16.670 7.856 714 HD22 LEU 92 2HD2 LEU 92 -6.838 17.419 9.188 715 HD23 LEU 92 3HD2 LEU 92 -7.648 15.870 9.426 716 H LEU 93 H LEU 93 -3.521 15.921 5.178 717 HA LEU 93 HA LEU 93 -2.832 18.266 3.719 718 HB2 LEU 93 1HB LEU 93 -1.533 15.568 3.990 719 HB3 LEU 93 2HB LEU 93 -0.841 16.866 3.020 720 HG LEU 93 HG LEU 93 -1.445 17.255 5.934 721 HD11 LEU 93 1HD1 LEU 93 1.029 16.741 6.245 722 HD12 LEU 93 2HD1 LEU 93 0.938 15.922 4.686 723 HD13 LEU 93 3HD1 LEU 93 -0.058 15.368 6.032 724 HD21 LEU 93 1HD2 LEU 93 0.806 18.654 5.284 725 HD22 LEU 93 2HD2 LEU 93 -0.831 19.311 5.290 726 HD23 LEU 93 3HD2 LEU 93 -0.118 18.732 3.784 727 H ALA 94 H ALA 94 -2.528 18.539 1.502 728 HA ALA 94 HA ALA 94 -4.415 17.225 -0.166 729 HB1 ALA 94 1HB ALA 94 -2.250 19.238 -0.663 730 HB2 ALA 94 2HB ALA 94 -3.170 18.533 -1.993 731 HB3 ALA 94 3HB ALA 94 -4.000 19.447 -0.734 732 H ILE 95 H ILE 95 -0.862 17.149 -0.017 733 HA ILE 95 HA ILE 95 -0.953 14.582 -1.457 734 HB ILE 95 HB ILE 95 1.192 16.682 -1.793 735 HG12 ILE 95 1HG1 ILE 95 -1.070 17.222 -2.810 736 HG13 ILE 95 2HG1 ILE 95 0.281 17.169 -3.937 737 HG21 ILE 95 1HG2 ILE 95 2.111 15.252 -3.474 738 HG22 ILE 95 2HG2 ILE 95 1.893 14.297 -2.008 739 HG23 ILE 95 3HG2 ILE 95 0.752 14.137 -3.343 740 HD11 ILE 95 1HD1 ILE 95 -1.293 14.689 -3.550 741 HD12 ILE 95 2HD1 ILE 95 -2.025 16.009 -4.462 742 HD13 ILE 95 3HD1 ILE 95 -0.493 15.314 -4.991 743 HA PRO 96 HA PRO 96 1.182 13.252 2.213 744 HB2 PRO 96 1HB PRO 96 1.552 10.684 1.413 745 HB3 PRO 96 2HB PRO 96 0.000 11.294 1.999 746 HG2 PRO 96 1HG PRO 96 0.934 10.884 -0.816 747 HG3 PRO 96 2HG PRO 96 -0.639 10.501 -0.092 748 HD2 PRO 96 1HD PRO 96 -0.229 12.714 -1.597 749 HD3 PRO 96 2HD PRO 96 -1.383 12.677 -0.248 750 H ASP 97 H ASP 97 3.291 12.759 2.818 751 HA ASP 97 HA ASP 97 5.343 13.587 1.060 752 HB2 ASP 97 1HB ASP 97 5.390 12.235 3.757 753 HB3 ASP 97 2HB ASP 97 6.861 12.688 2.901 754 H LYS 98 H LYS 98 5.959 12.454 -0.658 755 HA LYS 98 HA LYS 98 5.533 9.797 -1.202 756 HB2 LYS 98 1HB LYS 98 6.264 11.321 -2.923 757 HB3 LYS 98 2HB LYS 98 7.801 11.576 -2.108 758 HG2 LYS 98 1HG LYS 98 8.015 8.970 -2.426 759 HG3 LYS 98 2HG LYS 98 6.872 9.272 -3.736 760 HD2 LYS 98 1HD LYS 98 8.378 10.847 -4.757 761 HD3 LYS 98 2HD LYS 98 9.483 10.742 -3.385 762 HE2 LYS 98 1HE LYS 98 10.287 8.696 -4.015 763 HE3 LYS 98 2HE LYS 98 8.786 8.231 -4.814 764 HZ1 LYS 98 1HZ LYS 98 10.791 10.164 -5.847 765 HZ2 LYS 98 2HZ LYS 98 9.326 9.788 -6.603 766 HZ3 LYS 98 3HZ LYS 98 10.517 8.600 -6.431 767 H LEU 99 H LEU 99 8.364 11.250 0.365 768 HA LEU 99 HA LEU 99 9.945 8.972 0.584 769 HB2 LEU 99 1HB LEU 99 9.711 11.250 2.544 770 HB3 LEU 99 2HB LEU 99 11.047 10.104 2.448 771 HG LEU 99 HG LEU 99 10.301 12.153 0.362 772 HD11 LEU 99 1HD1 LEU 99 11.559 12.645 2.683 773 HD12 LEU 99 2HD1 LEU 99 11.909 13.503 1.183 774 HD13 LEU 99 3HD1 LEU 99 12.933 12.160 1.690 775 HD21 LEU 99 1HD2 LEU 99 11.290 10.678 -1.015 776 HD22 LEU 99 2HD2 LEU 99 12.041 9.786 0.308 777 HD23 LEU 99 3HD2 LEU 99 12.780 11.275 -0.283 778 H THR 100 H THR 100 7.623 10.287 2.944 779 HA THR 100 HA THR 100 7.893 8.304 4.882 780 HB THR 100 HB THR 100 5.411 9.887 4.189 781 HG1 THR 100 1HG THR 100 6.935 11.343 4.781 782 HG21 THR 100 1HG2 THR 100 4.420 9.152 6.106 783 HG22 THR 100 2HG2 THR 100 5.957 8.916 6.939 784 HG23 THR 100 3HG2 THR 100 5.401 7.729 5.760 785 H VAL 101 H VAL 101 5.405 8.547 2.334 786 HA VAL 101 HA VAL 101 4.097 6.156 2.811 787 HB VAL 101 HB VAL 101 4.580 7.517 0.157 788 HG11 VAL 101 1HG1 VAL 101 3.588 4.957 0.590 789 HG12 VAL 101 2HG1 VAL 101 2.154 5.958 0.358 790 HG13 VAL 101 3HG1 VAL 101 3.416 5.924 -0.874 791 HG21 VAL 101 1HG2 VAL 101 3.231 9.070 1.019 792 HG22 VAL 101 2HG2 VAL 101 1.943 7.869 0.919 793 HG23 VAL 101 3HG2 VAL 101 2.848 8.069 2.420 794 H MET 102 H MET 102 6.582 6.671 0.297 795 HA MET 102 HA MET 102 6.930 4.095 -0.541 796 HB2 MET 102 1HB MET 102 8.812 6.408 -0.291 797 HB3 MET 102 2HB MET 102 9.441 4.842 -0.785 798 HG2 MET 102 1HG MET 102 7.685 4.842 -2.593 799 HG3 MET 102 2HG MET 102 7.382 6.526 -2.175 800 HE1 MET 102 1HE MET 102 9.193 3.967 -3.855 801 HE2 MET 102 2HE MET 102 9.065 5.039 -5.250 802 HE3 MET 102 3HE MET 102 10.649 4.652 -4.576 803 H THR 103 H THR 103 8.371 5.622 2.306 804 HA THR 103 HA THR 103 10.106 3.586 3.074 805 HB THR 103 HB THR 103 8.545 5.451 4.873 806 HG1 THR 103 1HG THR 103 9.892 6.904 4.152 807 HG21 THR 103 1HG2 THR 103 10.660 3.442 5.375 808 HG22 THR 103 2HG2 THR 103 9.389 4.041 6.441 809 HG23 THR 103 3HG2 THR 103 10.846 5.000 6.181 810 H TYR 104 H TYR 104 6.762 4.147 4.183 811 HA TYR 104 HA TYR 104 6.504 1.925 5.815 812 HB2 TYR 104 1HB TYR 104 4.819 3.657 5.794 813 HB3 TYR 104 2HB TYR 104 4.419 3.306 4.116 814 HD1 TYR 104 2HD TYR 104 4.911 1.021 7.025 815 HD2 TYR 104 1HD TYR 104 2.225 2.551 4.101 816 HE1 TYR 104 2HE TYR 104 3.195 -0.575 7.774 817 HE2 TYR 104 1HE TYR 104 0.502 0.961 4.843 818 HH TYR 104 HH TYR 104 -0.046 -0.329 6.907 819 H LEU 105 H LEU 105 5.405 2.183 2.429 820 HA LEU 105 HA LEU 105 4.548 -0.343 1.955 821 HB2 LEU 105 1HB LEU 105 6.068 1.572 0.231 822 HB3 LEU 105 2HB LEU 105 5.622 -0.018 -0.385 823 HG LEU 105 HG LEU 105 3.538 1.808 0.754 824 HD11 LEU 105 1HD1 LEU 105 4.246 3.310 -0.797 825 HD12 LEU 105 2HD1 LEU 105 3.237 2.301 -1.834 826 HD13 LEU 105 3HD1 LEU 105 4.987 2.079 -1.819 827 HD21 LEU 105 1HD2 LEU 105 3.300 -0.713 0.063 828 HD22 LEU 105 2HD2 LEU 105 3.201 -0.036 -1.563 829 HD23 LEU 105 3HD2 LEU 105 2.038 0.454 -0.330 830 H TYR 106 H TYR 106 7.926 0.698 1.464 831 HA TYR 106 HA TYR 106 9.167 -1.553 0.719 832 HB2 TYR 106 1HB TYR 106 9.994 0.552 2.683 833 HB3 TYR 106 2HB TYR 106 11.042 -0.835 2.409 834 HD1 TYR 106 2HD TYR 106 11.212 -1.365 -0.293 835 HD2 TYR 106 1HD TYR 106 10.595 2.436 1.514 836 HE1 TYR 106 2HE TYR 106 12.143 -0.272 -2.290 837 HE2 TYR 106 1HE TYR 106 11.523 3.541 -0.478 838 HH TYR 106 HH TYR 106 13.290 1.977 -2.791 839 H GLN 107 H GLN 107 7.832 -0.956 3.904 840 HA GLN 107 HA GLN 107 8.987 -3.173 5.219 841 HB2 GLN 107 1HB GLN 107 6.337 -1.877 5.860 842 HB3 GLN 107 2HB GLN 107 7.366 -2.790 6.955 843 HG2 GLN 107 1HG GLN 107 8.284 -0.252 5.649 844 HG3 GLN 107 2HG GLN 107 7.387 -0.262 7.166 845 HE21 GLN 107 1HE2 GLN 107 10.336 0.117 6.056 846 HE22 GLN 107 2HE2 GLN 107 11.273 -0.608 7.313 847 H ILE 108 H ILE 108 5.696 -2.742 3.911 848 HA ILE 108 HA ILE 108 4.814 -5.353 4.330 849 HB ILE 108 HB ILE 108 4.000 -3.419 2.158 850 HG12 ILE 108 1HG1 ILE 108 1.956 -3.367 3.857 851 HG13 ILE 108 2HG1 ILE 108 3.205 -3.839 5.004 852 HG21 ILE 108 1HG2 ILE 108 2.581 -5.889 3.149 853 HG22 ILE 108 2HG2 ILE 108 1.973 -4.751 1.947 854 HG23 ILE 108 3HG2 ILE 108 3.399 -5.726 1.595 855 HD11 ILE 108 1HD1 ILE 108 3.873 -1.742 5.164 856 HD12 ILE 108 2HD1 ILE 108 4.173 -1.676 3.427 857 HD13 ILE 108 3HD1 ILE 108 2.581 -1.264 4.064 858 H ARG 109 H ARG 109 5.862 -3.960 1.213 859 HA ARG 109 HA ARG 109 5.917 -6.245 -0.294 860 HB2 ARG 109 1HB ARG 109 6.318 -4.146 -1.350 861 HB3 ARG 109 2HB ARG 109 7.741 -3.845 -0.362 862 HG2 ARG 109 1HG ARG 109 8.638 -6.013 -1.505 863 HG3 ARG 109 2HG ARG 109 7.414 -5.637 -2.719 864 HD2 ARG 109 1HD ARG 109 8.418 -3.599 -3.268 865 HD3 ARG 109 2HD ARG 109 9.362 -3.561 -1.779 866 HE ARG 109 HE ARG 109 10.015 -5.768 -3.497 867 HH11 ARG 109 1HH1 ARG 109 10.624 -2.413 -2.797 868 HH12 ARG 109 2HH1 ARG 109 12.200 -2.413 -3.519 869 HH21 ARG 109 1HH2 ARG 109 12.087 -5.781 -4.450 870 HH22 ARG 109 2HH2 ARG 109 13.030 -4.330 -4.460 871 H ALA 110 H ALA 110 8.310 -5.135 2.030 872 HA ALA 110 HA ALA 110 10.269 -7.106 1.375 873 HB1 ALA 110 1HB ALA 110 11.148 -6.419 3.714 874 HB2 ALA 110 2HB ALA 110 11.182 -5.242 2.399 875 HB3 ALA 110 3HB ALA 110 9.912 -5.163 3.621 876 H HIS 111 H HIS 111 7.551 -6.944 3.570 877 HA HIS 111 HA HIS 111 8.240 -9.171 5.179 878 HB2 HIS 111 1HB HIS 111 6.538 -7.407 5.754 879 HB3 HIS 111 2HB HIS 111 5.455 -8.158 4.586 880 HD1 HIS 111 1HD HIS 111 6.838 -8.564 8.009 881 HD2 HIS 111 2HD HIS 111 4.411 -10.668 5.373 882 HE1 HIS 111 1HE HIS 111 5.755 -10.368 9.386 883 HE2 HIS 111 2HE HIS 111 4.357 -11.680 7.753 884 H PHE 112 H PHE 112 6.090 -8.837 2.364 885 HA PHE 112 HA PHE 112 5.587 -11.669 2.251 886 HB2 PHE 112 1HB PHE 112 4.881 -9.388 0.402 887 HB3 PHE 112 2HB PHE 112 4.434 -11.061 0.082 888 HD1 PHE 112 2HD PHE 112 4.123 -8.403 2.665 889 HD2 PHE 112 1HD PHE 112 2.444 -11.897 0.909 890 HE1 PHE 112 2HE PHE 112 2.103 -8.119 4.040 891 HE2 PHE 112 1HE PHE 112 0.420 -11.619 2.280 892 HZ PHE 112 HZ PHE 112 0.248 -9.728 3.849 893 H SER 113 H SER 113 7.511 -9.331 0.423 894 HA SER 113 HA SER 113 8.999 -11.588 -0.739 895 HB2 SER 113 1HB SER 113 7.625 -10.768 -2.529 896 HB3 SER 113 2HB SER 113 8.043 -9.095 -2.160 897 HG SER 113 HG SER 113 10.140 -9.502 -2.846 898 H SER 114 H SER 114 10.849 -11.477 0.394 899 HA SER 114 HA SER 114 12.124 -8.866 0.783 900 HB2 SER 114 1HB SER 114 13.565 -10.034 2.413 901 HB3 SER 114 2HB SER 114 11.855 -10.238 2.795 902 HG SER 114 HG SER 114 13.077 -12.157 1.175 903 H GLY 115 H GLY 115 14.124 -8.375 -0.024 904 HA2 GLY 115 1HA GLY 115 15.192 -10.285 -2.001 905 HA3 GLY 115 2HA GLY 115 15.368 -8.539 -2.094 906 HA PRO 116 HA PRO 116 19.202 -10.513 -0.234 907 HB2 PRO 116 1HB PRO 116 20.936 -9.620 -2.122 908 HB3 PRO 116 2HB PRO 116 20.075 -11.157 -2.260 909 HG2 PRO 116 1HG PRO 116 19.447 -8.515 -3.518 910 HG3 PRO 116 2HG PRO 116 19.399 -10.135 -4.236 911 HD2 PRO 116 1HD PRO 116 17.171 -8.854 -3.384 912 HD3 PRO 116 2HD PRO 116 17.342 -10.619 -3.316 913 H SER 117 H SER 117 19.230 -9.096 1.483 914 HA SER 117 HA SER 117 20.503 -6.494 0.966 915 HB2 SER 117 1HB SER 117 18.222 -7.060 2.872 916 HB3 SER 117 2HB SER 117 19.137 -5.552 2.840 917 HG SER 117 HG SER 117 17.086 -5.705 1.572 918 H SER 118 H SER 118 21.234 -5.548 3.216 919 HA SER 118 HA SER 118 22.125 -7.532 5.112 920 HB2 SER 118 1HB SER 118 23.775 -7.441 3.072 921 HB3 SER 118 2HB SER 118 24.328 -5.950 3.834 922 HG SER 118 HG SER 118 25.519 -7.747 4.568 923 H GLY 119 H GLY 119 22.983 -6.621 7.033 924 HA2 GLY 119 1HA GLY 119 22.788 -5.062 8.729 925 HA3 GLY 119 2HA GLY 119 23.730 -4.082 7.616
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