NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582811 | 2mey | 7276 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 1 H1 GLN 1 27.081 5.478 -8.376 2 HA GLN 1 HA GLN 1 27.995 3.568 -9.461 3 HB2 GLN 1 HB2 GLN 1 29.465 3.088 -6.860 4 HB3 GLN 1 HB3 GLN 1 29.490 2.053 -8.282 5 HG2 GLN 1 HG2 GLN 1 30.651 3.730 -9.547 6 HG3 GLN 1 HG3 GLN 1 30.504 4.884 -8.224 7 HE21 GLN 1 HE21 GLN 1 32.122 2.068 -9.392 8 HE22 GLN 1 HE22 GLN 1 33.402 2.067 -8.230 9 H GLU 2 H GLU 2 27.629 3.321 -5.920 10 HA GLU 2 HA GLU 2 25.201 1.750 -6.404 11 HB2 GLU 2 HB2 GLU 2 25.718 0.596 -4.228 12 HB3 GLU 2 HB3 GLU 2 26.837 0.245 -5.534 13 HG2 GLU 2 HG2 GLU 2 28.413 1.884 -4.573 14 HG3 GLU 2 HG3 GLU 2 27.301 2.118 -3.227 15 H HIS 3 H HIS 3 23.420 2.647 -5.693 16 HA HIS 3 HA HIS 3 23.596 4.984 -3.998 17 HB2 HIS 3 HB2 HIS 3 22.148 5.078 -5.965 18 HB3 HIS 3 HB3 HIS 3 21.209 3.720 -5.358 19 HD1 HIS 3 HD1 HIS 3 19.238 4.290 -3.920 20 HD2 HIS 3 HD2 HIS 3 21.903 7.458 -4.271 21 HE1 HIS 3 HE1 HIS 3 18.131 6.230 -2.778 22 HE2 HIS 3 HE2 HIS 3 19.793 8.115 -2.931 23 H LYS 4 H LYS 4 23.924 4.468 -1.999 24 HA LYS 4 HA LYS 4 22.763 2.321 -0.571 25 HB2 LYS 4 HB2 LYS 4 24.001 4.905 0.374 26 HB3 LYS 4 HB3 LYS 4 23.269 3.773 1.504 27 HG2 LYS 4 HG2 LYS 4 25.629 3.380 1.469 28 HG3 LYS 4 HG3 LYS 4 24.831 2.019 0.688 29 HD2 LYS 4 HD2 LYS 4 26.756 2.572 -0.612 30 HD3 LYS 4 HD3 LYS 4 25.341 3.104 -1.519 31 HE2 LYS 4 HE2 LYS 4 25.694 5.395 -0.721 32 HE3 LYS 4 HE3 LYS 4 27.104 4.857 0.192 33 HZ1 LYS 4 HZ1 LYS 4 28.131 4.191 -1.908 34 HZ2 LYS 4 HZ2 LYS 4 27.780 5.842 -1.874 35 HZ3 LYS 4 HZ3 LYS 4 26.793 4.790 -2.762 36 HA PRO 5 HA PRO 5 18.641 3.775 0.001 37 HB2 PRO 5 HB2 PRO 5 17.852 2.158 1.979 38 HB3 PRO 5 HB3 PRO 5 18.250 1.521 0.377 39 HG2 PRO 5 HG2 PRO 5 19.956 1.608 2.845 40 HG3 PRO 5 HG3 PRO 5 19.665 0.247 1.744 41 HD2 PRO 5 HD2 PRO 5 21.870 1.807 1.604 42 HD3 PRO 5 HD3 PRO 5 21.139 1.048 0.175 43 H LYS 6 H LYS 6 17.262 3.720 2.445 44 HA LYS 6 HA LYS 6 18.277 6.173 3.634 45 HB2 LYS 6 HB2 LYS 6 15.877 6.002 2.981 46 HB3 LYS 6 HB3 LYS 6 15.677 4.696 4.136 47 HG2 LYS 6 HG2 LYS 6 14.807 6.778 5.030 48 HG3 LYS 6 HG3 LYS 6 16.194 6.233 5.971 49 HD2 LYS 6 HD2 LYS 6 16.354 8.620 5.625 50 HD3 LYS 6 HD3 LYS 6 17.624 7.821 4.703 51 HE2 LYS 6 HE2 LYS 6 16.650 9.561 3.350 52 HE3 LYS 6 HE3 LYS 6 16.194 8.002 2.674 53 HZ1 LYS 6 HZ1 LYS 6 14.337 9.557 2.730 54 HZ2 LYS 6 HZ2 LYS 6 14.473 9.704 4.403 55 HZ3 LYS 6 HZ3 LYS 6 14.020 8.225 3.719 56 H LYS 7 H LYS 7 19.700 5.940 5.196 57 HA LYS 7 HA LYS 7 20.310 3.585 6.528 58 HB2 LYS 7 HB2 LYS 7 21.638 5.002 8.080 59 HB3 LYS 7 HB3 LYS 7 21.938 5.330 6.381 60 HG2 LYS 7 HG2 LYS 7 20.450 7.294 6.528 61 HG3 LYS 7 HG3 LYS 7 20.245 6.979 8.252 62 HD2 LYS 7 HD2 LYS 7 22.907 7.489 6.922 63 HD3 LYS 7 HD3 LYS 7 21.948 8.728 7.729 64 HE2 LYS 7 HE2 LYS 7 23.032 6.223 9.024 65 HE3 LYS 7 HE3 LYS 7 23.726 7.834 9.171 66 HZ1 LYS 7 HZ1 LYS 7 22.396 7.350 11.079 67 HZ2 LYS 7 HZ2 LYS 7 21.054 6.974 10.139 68 HZ3 LYS 7 HZ3 LYS 7 21.628 8.562 10.193 69 H ASP 8 H ASP 8 18.112 6.150 7.547 70 HA ASP 8 HA ASP 8 17.584 4.630 10.003 71 HB2 ASP 8 HB2 ASP 8 18.213 7.028 10.228 72 HB3 ASP 8 HB3 ASP 8 16.766 7.459 9.330 73 H ASP 9 H ASP 9 16.003 3.214 9.766 74 HA ASP 9 HA ASP 9 13.936 3.488 7.797 75 HB2 ASP 9 HB2 ASP 9 14.720 1.268 8.357 76 HB3 ASP 9 HB3 ASP 9 14.281 1.496 10.047 77 H PHE 10 H PHE 10 14.122 3.926 11.277 78 HA PHE 10 HA PHE 10 11.298 4.561 11.444 79 HB2 PHE 10 HB2 PHE 10 12.469 3.308 13.273 80 HB3 PHE 10 HB3 PHE 10 13.419 4.749 13.603 81 HD1 PHE 10 HD1 PHE 10 9.822 3.836 13.175 82 HD2 PHE 10 HD2 PHE 10 12.724 6.027 15.387 83 HE1 PHE 10 HE1 PHE 10 8.059 4.634 14.693 84 HE2 PHE 10 HE2 PHE 10 10.967 6.829 16.906 85 HZ PHE 10 HZ PHE 10 8.630 6.134 16.562 86 H ARG 11 H ARG 11 12.315 6.224 9.670 87 HA ARG 11 HA ARG 11 12.874 8.748 11.036 88 HB2 ARG 11 HB2 ARG 11 14.467 8.006 9.279 89 HB3 ARG 11 HB3 ARG 11 13.151 7.973 8.119 90 HG2 ARG 11 HG2 ARG 11 14.490 9.960 7.837 91 HG3 ARG 11 HG3 ARG 11 12.868 10.386 8.384 92 HD2 ARG 11 HD2 ARG 11 14.612 11.686 9.530 93 HD3 ARG 11 HD3 ARG 11 13.678 10.694 10.642 94 HE ARG 11 HE ARG 11 15.576 9.115 10.630 95 HH11 ARG 11 HH11 ARG 11 16.159 12.441 9.619 96 HH12 ARG 11 HH12 ARG 11 17.821 12.421 10.091 97 HH21 ARG 11 HH21 ARG 11 17.789 9.116 11.256 98 HH22 ARG 11 HH22 ARG 11 18.748 10.533 11.016 99 H ASN 12 H ASN 12 11.411 10.353 10.946 100 HA ASN 12 HA ASN 12 8.779 9.724 9.937 101 HB2 ASN 12 HB2 ASN 12 9.171 10.852 12.153 102 HB3 ASN 12 HB3 ASN 12 9.747 12.261 11.275 103 HD21 ASN 12 HD21 ASN 12 8.283 13.619 10.303 104 HD22 ASN 12 HD22 ASN 12 6.574 13.478 10.510 105 H GLU 13 H GLU 13 7.610 11.147 8.534 106 HA GLU 13 HA GLU 13 8.994 11.815 6.190 107 HB2 GLU 13 HB2 GLU 13 6.563 11.201 6.456 108 HB3 GLU 13 HB3 GLU 13 6.292 12.830 7.050 109 HG2 GLU 13 HG2 GLU 13 6.792 13.781 4.974 110 HG3 GLU 13 HG3 GLU 13 7.514 12.287 4.374 111 H PHE 14 H PHE 14 10.067 13.614 5.626 112 HA PHE 14 HA PHE 14 10.177 15.818 7.512 113 HB2 PHE 14 HB2 PHE 14 12.276 15.001 6.561 114 HB3 PHE 14 HB3 PHE 14 11.711 15.385 4.940 115 HD1 PHE 14 HD1 PHE 14 12.443 16.949 8.233 116 HD2 PHE 14 HD2 PHE 14 12.161 17.470 4.017 117 HE1 PHE 14 HE1 PHE 14 13.377 19.211 8.456 118 HE2 PHE 14 HE2 PHE 14 13.099 19.737 4.234 119 HZ PHE 14 HZ PHE 14 13.705 20.608 6.454 120 H ASP 15 H ASP 15 9.500 15.460 4.041 121 HA ASP 15 HA ASP 15 8.743 18.140 3.592 122 HB2 ASP 15 HB2 ASP 15 7.824 15.672 2.097 123 HB3 ASP 15 HB3 ASP 15 7.752 17.328 1.509 124 H HIS 16 H HIS 16 6.762 15.242 3.895 125 HA HIS 16 HA HIS 16 4.643 14.848 4.520 126 HB2 HIS 16 HB2 HIS 16 5.682 15.835 6.650 127 HB3 HIS 16 HB3 HIS 16 4.780 17.298 6.266 128 HD1 HIS 16 HD1 HIS 16 3.582 13.705 5.956 129 HD2 HIS 16 HD2 HIS 16 2.757 17.188 8.093 130 HE1 HIS 16 HE1 HIS 16 1.520 13.206 7.316 131 HE2 HIS 16 HE2 HIS 16 1.161 15.256 8.731 132 H LEU 17 H LEU 17 4.816 16.190 2.129 133 HA LEU 17 HA LEU 17 2.706 18.217 2.211 134 HB2 LEU 17 HB2 LEU 17 4.941 18.692 1.095 135 HB3 LEU 17 HB3 LEU 17 4.566 17.440 -0.058 136 HG LEU 17 HG LEU 17 2.731 19.794 0.234 137 HD11 LEU 17 HD11 LEU 17 4.963 20.733 -0.020 138 HD12 LEU 17 HD12 LEU 17 4.020 20.950 -1.495 139 HD13 LEU 17 HD13 LEU 17 5.254 19.690 -1.413 140 HD21 LEU 17 HD21 LEU 17 2.308 19.330 -2.136 141 HD22 LEU 17 HD22 LEU 17 2.003 17.905 -1.140 142 HD23 LEU 17 HD23 LEU 17 3.487 18.019 -2.087 143 H LEU 18 H LEU 18 0.889 17.924 0.774 144 HA LEU 18 HA LEU 18 -0.399 15.536 0.836 145 HB2 LEU 18 HB2 LEU 18 -0.603 17.594 -1.356 146 HB3 LEU 18 HB3 LEU 18 -1.777 16.328 -1.061 147 HG LEU 18 HG LEU 18 -1.092 18.503 0.914 148 HD11 LEU 18 HD11 LEU 18 -3.391 18.273 -1.008 149 HD12 LEU 18 HD12 LEU 18 -2.128 19.502 -1.002 150 HD13 LEU 18 HD13 LEU 18 -3.297 19.432 0.316 151 HD21 LEU 18 HD21 LEU 18 -3.309 16.459 0.873 152 HD22 LEU 18 HD22 LEU 18 -3.137 17.761 2.050 153 HD23 LEU 18 HD23 LEU 18 -1.929 16.478 1.972 154 H ILE 19 H ILE 19 1.181 16.656 -2.167 155 HA ILE 19 HA ILE 19 0.979 14.113 -3.405 156 HB ILE 19 HB ILE 19 2.578 16.569 -4.160 157 HG12 ILE 19 HG12 ILE 19 0.143 16.791 -4.278 158 HG13 ILE 19 HG13 ILE 19 0.853 16.802 -5.891 159 HG21 ILE 19 HG21 ILE 19 2.925 15.539 -6.352 160 HG22 ILE 19 HG22 ILE 19 2.174 14.053 -5.780 161 HG23 ILE 19 HG23 ILE 19 3.702 14.595 -5.080 162 HD11 ILE 19 HD11 ILE 19 0.213 14.464 -6.185 163 HD12 ILE 19 HD12 ILE 19 -1.182 15.477 -5.819 164 HD13 ILE 19 HD13 ILE 19 -0.495 14.452 -4.570 165 H GLU 20 H GLU 20 3.425 15.607 -1.415 166 HA GLU 20 HA GLU 20 5.558 13.888 -2.100 167 HB2 GLU 20 HB2 GLU 20 5.023 15.583 0.317 168 HB3 GLU 20 HB3 GLU 20 6.441 14.553 0.208 169 HG2 GLU 20 HG2 GLU 20 5.738 16.705 -1.771 170 HG3 GLU 20 HG3 GLU 20 6.881 16.886 -0.441 171 H GLN 21 H GLN 21 3.047 13.713 0.346 172 HA GLN 21 HA GLN 21 3.961 11.380 1.622 173 HB2 GLN 21 HB2 GLN 21 2.044 13.103 2.225 174 HB3 GLN 21 HB3 GLN 21 1.037 11.979 1.331 175 HG2 GLN 21 HG2 GLN 21 2.698 11.298 3.757 176 HG3 GLN 21 HG3 GLN 21 0.963 11.589 3.752 177 HE21 GLN 21 HE21 GLN 21 -0.401 10.044 2.799 178 HE22 GLN 21 HE22 GLN 21 0.121 8.417 2.537 179 H ALA 22 H ALA 22 1.546 11.888 -0.960 180 HA ALA 22 HA ALA 22 0.896 9.304 -1.532 181 HB1 ALA 22 HB1 ALA 22 0.278 10.056 -3.754 182 HB2 ALA 22 HB2 ALA 22 1.252 11.511 -3.551 183 HB3 ALA 22 HB3 ALA 22 -0.174 11.256 -2.545 184 H ASN 23 H ASN 23 3.596 11.086 -2.911 185 HA ASN 23 HA ASN 23 4.447 8.803 -4.471 186 HB2 ASN 23 HB2 ASN 23 6.363 9.993 -5.251 187 HB3 ASN 23 HB3 ASN 23 5.037 11.137 -5.199 188 HD21 ASN 23 HD21 ASN 23 5.312 12.966 -4.116 189 HD22 ASN 23 HD22 ASN 23 6.700 13.363 -3.163 190 H HIS 24 H HIS 24 5.080 9.921 -1.305 191 HA HIS 24 HA HIS 24 7.413 8.366 -0.782 192 HB2 HIS 24 HB2 HIS 24 6.485 10.382 0.534 193 HB3 HIS 24 HB3 HIS 24 5.359 9.245 1.247 194 HD1 HIS 24 HD1 HIS 24 6.418 9.911 3.523 195 HD2 HIS 24 HD2 HIS 24 8.994 7.967 0.896 196 HE1 HIS 24 HE1 HIS 24 8.397 9.198 4.914 197 HE2 HIS 24 HE2 HIS 24 10.060 8.373 3.215 198 H ALA 25 H ALA 25 3.952 7.914 0.047 199 HA ALA 25 HA ALA 25 4.173 5.405 1.163 200 HB1 ALA 25 HB1 ALA 25 1.851 6.565 -0.366 201 HB2 ALA 25 HB2 ALA 25 2.200 6.833 1.344 202 HB3 ALA 25 HB3 ALA 25 1.781 5.218 0.770 203 H ILE 26 H ILE 26 3.533 6.258 -2.260 204 HA ILE 26 HA ILE 26 3.200 3.556 -3.033 205 HB ILE 26 HB ILE 26 3.461 4.296 -5.369 206 HG12 ILE 26 HG12 ILE 26 3.970 7.011 -4.158 207 HG13 ILE 26 HG13 ILE 26 5.167 6.033 -4.997 208 HG21 ILE 26 HG21 ILE 26 1.659 6.026 -3.683 209 HG22 ILE 26 HG22 ILE 26 1.288 4.421 -4.310 210 HG23 ILE 26 HG23 ILE 26 1.496 5.774 -5.420 211 HD11 ILE 26 HD11 ILE 26 4.307 7.802 -6.429 212 HD12 ILE 26 HD12 ILE 26 2.666 7.192 -6.215 213 HD13 ILE 26 HD13 ILE 26 3.867 6.215 -7.058 214 H GLU 27 H GLU 27 6.068 5.600 -2.817 215 HA GLU 27 HA GLU 27 7.835 3.865 -4.171 216 HB2 GLU 27 HB2 GLU 27 8.525 6.132 -3.609 217 HB3 GLU 27 HB3 GLU 27 8.353 5.797 -1.894 218 HG2 GLU 27 HG2 GLU 27 10.695 5.844 -2.588 219 HG3 GLU 27 HG3 GLU 27 10.227 4.265 -1.969 220 H LYS 28 H LYS 28 6.841 4.070 -0.765 221 HA LYS 28 HA LYS 28 8.455 1.895 0.095 222 HB2 LYS 28 HB2 LYS 28 7.649 3.448 1.746 223 HB3 LYS 28 HB3 LYS 28 5.979 3.156 1.286 224 HG2 LYS 28 HG2 LYS 28 6.074 0.913 2.174 225 HG3 LYS 28 HG3 LYS 28 7.793 1.087 2.520 226 HD2 LYS 28 HD2 LYS 28 5.714 2.898 3.730 227 HD3 LYS 28 HD3 LYS 28 6.182 1.371 4.477 228 HE2 LYS 28 HE2 LYS 28 8.072 3.632 3.810 229 HE3 LYS 28 HE3 LYS 28 7.398 3.318 5.407 230 HZ1 LYS 28 HZ1 LYS 28 9.171 1.501 3.865 231 HZ2 LYS 28 HZ2 LYS 28 8.474 1.136 5.360 232 HZ3 LYS 28 HZ3 LYS 28 9.601 2.390 5.242 233 H GLY 29 H GLY 29 5.023 2.140 -0.886 234 HA2 GLY 29 HA2 GLY 29 4.309 -0.515 -0.478 235 HA3 GLY 29 HA3 GLY 29 3.553 0.588 -1.612 236 H GLU 30 H GLU 30 5.634 1.055 -3.315 237 HA GLU 30 HA GLU 30 5.421 -1.093 -5.108 238 HB2 GLU 30 HB2 GLU 30 5.915 1.148 -5.885 239 HB3 GLU 30 HB3 GLU 30 7.445 1.146 -5.020 240 HG2 GLU 30 HG2 GLU 30 8.224 -0.690 -6.465 241 HG3 GLU 30 HG3 GLU 30 6.710 -0.595 -7.360 242 H HIS 31 H HIS 31 8.035 -0.133 -2.936 243 HA HIS 31 HA HIS 31 9.863 -2.112 -3.746 244 HB2 HIS 31 HB2 HIS 31 10.492 -0.062 -2.532 245 HB3 HIS 31 HB3 HIS 31 9.674 -0.665 -1.099 246 HD1 HIS 31 HD1 HIS 31 11.162 -1.790 0.512 247 HD2 HIS 31 HD2 HIS 31 12.670 -1.947 -3.356 248 HE1 HIS 31 HE1 HIS 31 13.404 -2.912 0.706 249 HE2 HIS 31 HE2 HIS 31 14.304 -2.991 -1.654 250 H GLN 32 H GLN 32 7.468 -2.035 -1.141 251 HA GLN 32 HA GLN 32 8.233 -4.627 -0.181 252 HB2 GLN 32 HB2 GLN 32 6.294 -4.485 1.327 253 HB3 GLN 32 HB3 GLN 32 7.277 -3.044 1.391 254 HG2 GLN 32 HG2 GLN 32 5.142 -2.187 1.427 255 HG3 GLN 32 HG3 GLN 32 5.573 -2.067 -0.273 256 HE21 GLN 32 HE21 GLN 32 4.666 -5.092 1.272 257 HE22 GLN 32 HE22 GLN 32 3.167 -5.267 0.441 258 H LEU 33 H LEU 33 5.807 -3.461 -2.437 259 HA LEU 33 HA LEU 33 4.371 -5.878 -2.638 260 HB2 LEU 33 HB2 LEU 33 3.483 -3.760 -3.482 261 HB3 LEU 33 HB3 LEU 33 4.758 -3.670 -4.674 262 HG LEU 33 HG LEU 33 2.365 -4.396 -5.396 263 HD11 LEU 33 HD11 LEU 33 4.784 -5.959 -6.276 264 HD12 LEU 33 HD12 LEU 33 4.271 -4.388 -6.893 265 HD13 LEU 33 HD13 LEU 33 3.268 -5.813 -7.167 266 HD21 LEU 33 HD21 LEU 33 3.424 -7.063 -4.447 267 HD22 LEU 33 HD22 LEU 33 1.909 -6.768 -5.300 268 HD23 LEU 33 HD23 LEU 33 2.130 -6.158 -3.663 269 H LEU 34 H LEU 34 7.096 -4.600 -4.528 270 HA LEU 34 HA LEU 34 7.232 -6.893 -6.195 271 HB2 LEU 34 HB2 LEU 34 9.395 -6.060 -6.956 272 HB3 LEU 34 HB3 LEU 34 8.208 -4.778 -6.928 273 HG LEU 34 HG LEU 34 9.308 -4.220 -4.599 274 HD11 LEU 34 HD11 LEU 34 10.768 -6.167 -4.512 275 HD12 LEU 34 HD12 LEU 34 11.706 -4.675 -4.562 276 HD13 LEU 34 HD13 LEU 34 11.548 -5.664 -6.011 277 HD21 LEU 34 HD21 LEU 34 9.271 -2.737 -6.522 278 HD22 LEU 34 HD22 LEU 34 10.624 -3.609 -7.240 279 HD23 LEU 34 HD23 LEU 34 10.853 -2.706 -5.741 280 H TYR 35 H TYR 35 8.525 -6.108 -3.057 281 HA TYR 35 HA TYR 35 10.459 -8.157 -2.937 282 HB2 TYR 35 HB2 TYR 35 10.463 -6.240 -1.386 283 HB3 TYR 35 HB3 TYR 35 8.958 -6.814 -0.678 284 HD1 TYR 35 HD1 TYR 35 12.573 -7.378 -0.922 285 HD2 TYR 35 HD2 TYR 35 8.937 -8.738 0.811 286 HE1 TYR 35 HE1 TYR 35 13.847 -8.748 0.675 287 HE2 TYR 35 HE2 TYR 35 10.184 -10.101 2.404 288 HH TYR 35 HH TYR 35 13.547 -9.762 2.884 289 H LEU 36 H LEU 36 7.078 -7.975 -1.667 290 HA LEU 36 HA LEU 36 7.147 -10.637 -0.712 291 HB2 LEU 36 HB2 LEU 36 5.012 -8.577 -1.054 292 HB3 LEU 36 HB3 LEU 36 4.548 -10.242 -0.783 293 HG LEU 36 HG LEU 36 4.460 -9.187 1.318 294 HD11 LEU 36 HD11 LEU 36 6.081 -10.361 2.654 295 HD12 LEU 36 HD12 LEU 36 7.103 -10.623 1.245 296 HD13 LEU 36 HD13 LEU 36 5.519 -11.394 1.340 297 HD21 LEU 36 HD21 LEU 36 6.407 -7.971 2.291 298 HD22 LEU 36 HD22 LEU 36 5.661 -7.173 0.908 299 HD23 LEU 36 HD23 LEU 36 7.176 -8.047 0.705 300 H GLN 37 H GLN 37 6.238 -9.141 -3.734 301 HA GLN 37 HA GLN 37 4.814 -11.312 -4.807 302 HB2 GLN 37 HB2 GLN 37 4.961 -8.891 -5.637 303 HB3 GLN 37 HB3 GLN 37 6.437 -9.384 -6.450 304 HG2 GLN 37 HG2 GLN 37 5.283 -10.880 -7.855 305 HG3 GLN 37 HG3 GLN 37 3.820 -10.789 -6.873 306 HE21 GLN 37 HE21 GLN 37 2.508 -8.977 -7.010 307 HE22 GLN 37 HE22 GLN 37 2.616 -7.848 -8.320 308 H HIS 38 H HIS 38 8.267 -10.470 -4.896 309 HA HIS 38 HA HIS 38 9.066 -12.707 -6.457 310 HB2 HIS 38 HB2 HIS 38 10.506 -10.829 -4.615 311 HB3 HIS 38 HB3 HIS 38 11.318 -12.299 -5.142 312 HD1 HIS 38 HD1 HIS 38 12.044 -12.441 -7.600 313 HD2 HIS 38 HD2 HIS 38 10.105 -8.899 -6.632 314 HE1 HIS 38 HE1 HIS 38 12.394 -10.923 -9.562 315 HE2 HIS 38 HE2 HIS 38 11.329 -8.738 -8.895 316 H GLN 39 H GLN 39 8.363 -12.206 -3.098 317 HA GLN 39 HA GLN 39 9.427 -14.675 -2.185 318 HB2 GLN 39 HB2 GLN 39 7.441 -12.768 -0.956 319 HB3 GLN 39 HB3 GLN 39 7.958 -14.250 -0.164 320 HG2 GLN 39 HG2 GLN 39 9.693 -11.919 -0.943 321 HG3 GLN 39 HG3 GLN 39 9.226 -12.398 0.689 322 HE21 GLN 39 HE21 GLN 39 9.546 -15.238 0.137 323 HE22 GLN 39 HE22 GLN 39 11.241 -15.554 0.063 324 H LEU 40 H LEU 40 6.270 -13.574 -3.298 325 HA LEU 40 HA LEU 40 4.732 -15.828 -2.954 326 HB2 LEU 40 HB2 LEU 40 4.141 -13.554 -4.035 327 HB3 LEU 40 HB3 LEU 40 4.745 -14.241 -5.524 328 HG LEU 40 HG LEU 40 2.308 -14.338 -5.441 329 HD11 LEU 40 HD11 LEU 40 1.941 -16.718 -5.868 330 HD12 LEU 40 HD12 LEU 40 3.554 -17.056 -5.245 331 HD13 LEU 40 HD13 LEU 40 3.358 -16.077 -6.696 332 HD21 LEU 40 HD21 LEU 40 2.693 -16.009 -2.970 333 HD22 LEU 40 HD22 LEU 40 1.159 -15.746 -3.802 334 HD23 LEU 40 HD23 LEU 40 1.999 -14.388 -3.052 335 H ASP 41 H ASP 41 7.070 -15.110 -5.532 336 HA ASP 41 HA ASP 41 6.615 -17.432 -7.052 337 HB2 ASP 41 HB2 ASP 41 7.908 -15.433 -7.829 338 HB3 ASP 41 HB3 ASP 41 9.225 -15.926 -6.773 339 H GLU 42 H GLU 42 8.727 -16.772 -4.324 340 HA GLU 42 HA GLU 42 10.051 -19.312 -4.352 341 HB2 GLU 42 HB2 GLU 42 11.125 -17.432 -3.278 342 HB3 GLU 42 HB3 GLU 42 9.754 -17.200 -2.207 343 HG2 GLU 42 HG2 GLU 42 10.279 -19.073 -0.933 344 HG3 GLU 42 HG3 GLU 42 11.326 -19.744 -2.182 345 H LEU 43 H LEU 43 7.465 -17.925 -2.518 346 HA LEU 43 HA LEU 43 6.695 -20.095 -0.925 347 HB2 LEU 43 HB2 LEU 43 5.707 -17.938 -0.553 348 HB3 LEU 43 HB3 LEU 43 4.953 -17.959 -2.135 349 HG LEU 43 HG LEU 43 3.596 -19.927 -1.373 350 HD11 LEU 43 HD11 LEU 43 5.022 -20.687 0.417 351 HD12 LEU 43 HD12 LEU 43 3.394 -20.347 1.002 352 HD13 LEU 43 HD13 LEU 43 4.701 -19.206 1.318 353 HD21 LEU 43 HD21 LEU 43 2.666 -17.682 -1.430 354 HD22 LEU 43 HD22 LEU 43 3.276 -17.377 0.196 355 HD23 LEU 43 HD23 LEU 43 2.032 -18.597 -0.064 356 H ASN 44 H ASN 44 5.812 -19.325 -4.206 357 HA ASN 44 HA ASN 44 3.837 -21.295 -4.595 358 HB2 ASN 44 HB2 ASN 44 4.652 -19.214 -6.028 359 HB3 ASN 44 HB3 ASN 44 5.610 -20.444 -6.841 360 HD21 ASN 44 HD21 ASN 44 3.223 -18.747 -7.546 361 HD22 ASN 44 HD22 ASN 44 2.093 -19.870 -8.223 362 H GLU 45 H GLU 45 7.255 -21.363 -4.687 363 HA GLU 45 HA GLU 45 7.486 -24.024 -5.802 364 HB2 GLU 45 HB2 GLU 45 9.243 -22.300 -6.099 365 HB3 GLU 45 HB3 GLU 45 9.569 -22.367 -4.373 366 HG2 GLU 45 HG2 GLU 45 11.221 -23.641 -5.560 367 HG3 GLU 45 HG3 GLU 45 10.207 -24.726 -4.610 368 H ASN 46 H ASN 46 7.772 -22.588 -2.610 369 HA ASN 46 HA ASN 46 8.517 -25.065 -1.318 370 HB2 ASN 46 HB2 ASN 46 7.873 -22.313 -0.291 371 HB3 ASN 46 HB3 ASN 46 8.088 -23.670 0.808 372 HD21 ASN 46 HD21 ASN 46 9.653 -21.593 -1.530 373 HD22 ASN 46 HD22 ASN 46 11.272 -21.976 -1.055 374 H LYS 47 H LYS 47 5.643 -23.304 -1.846 375 HA LYS 47 HA LYS 47 3.359 -23.626 -1.307 376 HB2 LYS 47 HB2 LYS 47 4.302 -26.499 -1.094 377 HB3 LYS 47 HB3 LYS 47 2.623 -25.996 -1.177 378 HG2 LYS 47 HG2 LYS 47 4.624 -25.409 -3.343 379 HG3 LYS 47 HG3 LYS 47 3.625 -26.859 -3.312 380 HD2 LYS 47 HD2 LYS 47 1.596 -25.432 -3.337 381 HD3 LYS 47 HD3 LYS 47 2.617 -23.997 -3.422 382 HE2 LYS 47 HE2 LYS 47 3.511 -24.676 -5.535 383 HE3 LYS 47 HE3 LYS 47 2.698 -26.237 -5.435 384 HZ1 LYS 47 HZ1 LYS 47 1.345 -23.604 -5.642 385 HZ2 LYS 47 HZ2 LYS 47 0.585 -25.115 -5.583 386 HZ3 LYS 47 HZ3 LYS 47 1.548 -24.710 -6.902 387 H SER 48 H SER 48 5.463 -23.318 0.847 388 HA SER 48 HA SER 48 4.698 -24.851 3.107 389 HB2 SER 48 HB2 SER 48 6.924 -23.944 2.993 390 HB3 SER 48 HB3 SER 48 6.300 -22.296 2.930 391 HG SER 48 HG SER 48 6.821 -23.853 5.055 392 H LYS 49 H LYS 49 3.094 -24.614 4.473 393 HA LYS 49 HA LYS 49 1.116 -22.671 4.148 394 HB2 LYS 49 HB2 LYS 49 0.208 -23.562 6.318 395 HB3 LYS 49 HB3 LYS 49 0.475 -24.772 5.071 396 HG2 LYS 49 HG2 LYS 49 2.665 -24.335 7.004 397 HG3 LYS 49 HG3 LYS 49 1.199 -25.123 7.595 398 HD2 LYS 49 HD2 LYS 49 1.380 -26.690 5.644 399 HD3 LYS 49 HD3 LYS 49 2.962 -25.988 5.312 400 HE2 LYS 49 HE2 LYS 49 3.898 -26.864 7.205 401 HE3 LYS 49 HE3 LYS 49 2.344 -27.029 8.031 402 HZ1 LYS 49 HZ1 LYS 49 3.171 -29.178 7.354 403 HZ2 LYS 49 HZ2 LYS 49 3.294 -28.671 5.751 404 HZ3 LYS 49 HZ3 LYS 49 1.768 -28.796 6.487 405 H GLU 50 H GLU 50 3.726 -22.928 6.592 406 HA GLU 50 HA GLU 50 2.907 -20.657 8.038 407 HB2 GLU 50 HB2 GLU 50 5.155 -20.730 9.053 408 HB3 GLU 50 HB3 GLU 50 4.376 -22.306 9.044 409 HG2 GLU 50 HG2 GLU 50 5.699 -22.925 7.069 410 HG3 GLU 50 HG3 GLU 50 6.505 -21.361 7.138 411 H LEU 51 H LEU 51 5.062 -21.076 5.308 412 HA LEU 51 HA LEU 51 6.056 -18.408 5.311 413 HB2 LEU 51 HB2 LEU 51 7.149 -20.269 4.080 414 HB3 LEU 51 HB3 LEU 51 5.789 -20.309 2.975 415 HG LEU 51 HG LEU 51 6.346 -18.017 2.231 416 HD11 LEU 51 HD11 LEU 51 8.754 -18.355 4.012 417 HD12 LEU 51 HD12 LEU 51 7.439 -17.197 4.231 418 HD13 LEU 51 HD13 LEU 51 8.515 -17.057 2.843 419 HD21 LEU 51 HD21 LEU 51 7.186 -19.957 1.012 420 HD22 LEU 51 HD22 LEU 51 8.623 -19.985 2.032 421 HD23 LEU 51 HD23 LEU 51 8.334 -18.619 0.953 422 H GLN 52 H GLN 52 3.350 -20.032 3.777 423 HA GLN 52 HA GLN 52 2.339 -17.948 2.226 424 HB2 GLN 52 HB2 GLN 52 1.543 -20.293 2.146 425 HB3 GLN 52 HB3 GLN 52 0.805 -20.081 3.725 426 HG2 GLN 52 HG2 GLN 52 -0.581 -18.243 2.696 427 HG3 GLN 52 HG3 GLN 52 0.029 -18.782 1.133 428 HE21 GLN 52 HE21 GLN 52 -1.942 -19.441 0.366 429 HE22 GLN 52 HE22 GLN 52 -2.778 -20.820 0.988 430 H GLU 53 H GLU 53 1.753 -18.812 5.627 431 HA GLU 53 HA GLU 53 -0.181 -16.891 6.127 432 HB2 GLU 53 HB2 GLU 53 0.243 -18.917 7.478 433 HB3 GLU 53 HB3 GLU 53 1.734 -18.187 8.059 434 HG2 GLU 53 HG2 GLU 53 0.557 -16.473 9.170 435 HG3 GLU 53 HG3 GLU 53 -0.959 -16.939 8.398 436 H LYS 54 H LYS 54 3.384 -16.808 6.639 437 HA LYS 54 HA LYS 54 3.467 -14.275 7.841 438 HB2 LYS 54 HB2 LYS 54 5.524 -15.657 6.099 439 HB3 LYS 54 HB3 LYS 54 5.838 -14.245 7.095 440 HG2 LYS 54 HG2 LYS 54 4.937 -16.913 8.162 441 HG3 LYS 54 HG3 LYS 54 6.618 -16.382 8.081 442 HD2 LYS 54 HD2 LYS 54 6.028 -14.448 9.510 443 HD3 LYS 54 HD3 LYS 54 4.387 -15.084 9.645 444 HE2 LYS 54 HE2 LYS 54 5.245 -17.112 10.688 445 HE3 LYS 54 HE3 LYS 54 6.896 -16.518 10.514 446 HZ1 LYS 54 HZ1 LYS 54 6.353 -14.686 11.983 447 HZ2 LYS 54 HZ2 LYS 54 6.050 -16.157 12.748 448 HZ3 LYS 54 HZ3 LYS 54 4.767 -15.238 12.138 449 H ILE 55 H ILE 55 3.742 -15.277 4.500 450 HA ILE 55 HA ILE 55 4.267 -12.740 3.392 451 HB ILE 55 HB ILE 55 3.077 -15.202 2.116 452 HG12 ILE 55 HG12 ILE 55 5.798 -13.889 1.909 453 HG13 ILE 55 HG13 ILE 55 5.423 -15.317 2.864 454 HG21 ILE 55 HG21 ILE 55 3.904 -12.638 0.747 455 HG22 ILE 55 HG22 ILE 55 2.257 -13.250 0.887 456 HG23 ILE 55 HG23 ILE 55 3.449 -14.137 -0.065 457 HD11 ILE 55 HD11 ILE 55 6.539 -15.855 0.762 458 HD12 ILE 55 HD12 ILE 55 5.207 -15.120 -0.132 459 HD13 ILE 55 HD13 ILE 55 4.927 -16.556 0.854 460 H ILE 56 H ILE 56 1.138 -14.442 3.720 461 HA ILE 56 HA ILE 56 -0.324 -12.280 2.604 462 HB ILE 56 HB ILE 56 -1.224 -14.604 2.681 463 HG12 ILE 56 HG12 ILE 56 -2.988 -12.555 4.044 464 HG13 ILE 56 HG13 ILE 56 -2.714 -12.668 2.310 465 HG21 ILE 56 HG21 ILE 56 -0.526 -15.223 4.927 466 HG22 ILE 56 HG22 ILE 56 -2.265 -15.443 4.729 467 HG23 ILE 56 HG23 ILE 56 -1.646 -14.048 5.614 468 HD11 ILE 56 HD11 ILE 56 -3.766 -14.873 2.293 469 HD12 ILE 56 HD12 ILE 56 -4.849 -13.640 2.934 470 HD13 ILE 56 HD13 ILE 56 -4.035 -14.756 4.032 471 H ARG 57 H ARG 57 0.758 -13.007 5.848 472 HA ARG 57 HA ARG 57 -0.938 -11.175 7.213 473 HB2 ARG 57 HB2 ARG 57 1.294 -12.924 7.874 474 HB3 ARG 57 HB3 ARG 57 1.351 -11.407 8.760 475 HG2 ARG 57 HG2 ARG 57 0.182 -13.142 10.007 476 HG3 ARG 57 HG3 ARG 57 -0.885 -11.794 9.614 477 HD2 ARG 57 HD2 ARG 57 -1.821 -13.064 7.756 478 HD3 ARG 57 HD3 ARG 57 -0.730 -14.403 8.111 479 HE ARG 57 HE ARG 57 -2.093 -13.950 10.440 480 HH11 ARG 57 HH11 ARG 57 -2.996 -14.733 7.142 481 HH12 ARG 57 HH12 ARG 57 -4.425 -15.591 7.594 482 HH21 ARG 57 HH21 ARG 57 -3.983 -15.105 11.045 483 HH22 ARG 57 HH22 ARG 57 -4.990 -15.799 9.825 484 H GLU 58 H GLU 58 2.395 -10.922 5.979 485 HA GLU 58 HA GLU 58 2.679 -8.240 6.880 486 HB2 GLU 58 HB2 GLU 58 4.229 -9.776 4.792 487 HB3 GLU 58 HB3 GLU 58 4.678 -8.189 5.401 488 HG2 GLU 58 HG2 GLU 58 4.358 -10.600 7.163 489 HG3 GLU 58 HG3 GLU 58 5.894 -10.137 6.427 490 H LEU 59 H LEU 59 1.478 -9.740 3.948 491 HA LEU 59 HA LEU 59 1.415 -7.452 2.297 492 HB2 LEU 59 HB2 LEU 59 1.153 -9.867 1.593 493 HB3 LEU 59 HB3 LEU 59 -0.437 -9.854 2.313 494 HG LEU 59 HG LEU 59 0.299 -8.015 0.027 495 HD11 LEU 59 HD11 LEU 59 -0.727 -9.654 -1.461 496 HD12 LEU 59 HD12 LEU 59 -0.873 -10.782 -0.114 497 HD13 LEU 59 HD13 LEU 59 0.722 -10.292 -0.685 498 HD21 LEU 59 HD21 LEU 59 -1.732 -7.449 1.304 499 HD22 LEU 59 HD22 LEU 59 -2.355 -9.071 1.013 500 HD23 LEU 59 HD23 LEU 59 -2.112 -7.964 -0.338 501 H ASP 60 H ASP 60 -0.872 -8.969 4.486 502 HA ASP 60 HA ASP 60 -3.090 -7.329 4.095 503 HB2 ASP 60 HB2 ASP 60 -3.303 -9.443 5.204 504 HB3 ASP 60 HB3 ASP 60 -2.201 -8.945 6.482 505 H VAL 61 H VAL 61 -0.631 -7.137 6.686 506 HA VAL 61 HA VAL 61 -1.781 -4.900 7.931 507 HB VAL 61 HB VAL 61 0.311 -4.612 9.164 508 HG11 VAL 61 HG11 VAL 61 0.406 -6.805 10.217 509 HG12 VAL 61 HG12 VAL 61 -0.442 -7.509 8.843 510 HG13 VAL 61 HG13 VAL 61 -1.260 -6.335 9.876 511 HG21 VAL 61 HG21 VAL 61 1.428 -6.688 7.281 512 HG22 VAL 61 HG22 VAL 61 2.229 -6.117 8.745 513 HG23 VAL 61 HG23 VAL 61 1.933 -5.003 7.408 514 H VAL 62 H VAL 62 0.681 -5.072 5.409 515 HA VAL 62 HA VAL 62 1.192 -2.259 5.455 516 HB VAL 62 HB VAL 62 1.815 -4.306 3.310 517 HG11 VAL 62 HG11 VAL 62 1.725 -2.023 2.406 518 HG12 VAL 62 HG12 VAL 62 3.371 -2.652 2.419 519 HG13 VAL 62 HG13 VAL 62 2.861 -1.492 3.646 520 HG21 VAL 62 HG21 VAL 62 4.107 -4.178 4.209 521 HG22 VAL 62 HG22 VAL 62 2.953 -4.778 5.400 522 HG23 VAL 62 HG23 VAL 62 3.529 -3.114 5.493 523 H CYS 63 H CYS 63 -0.911 -4.381 3.645 524 HA CYS 63 HA CYS 63 -1.746 -2.504 1.696 525 HB2 CYS 63 HB2 CYS 63 -2.164 -4.967 1.537 526 HB3 CYS 63 HB3 CYS 63 -3.363 -4.811 2.812 527 HG CYS 63 HG CYS 63 -5.022 -3.085 1.256 528 H ALA 64 H ALA 64 -2.946 -3.308 4.931 529 HA ALA 64 HA ALA 64 -5.245 -1.702 4.884 530 HB1 ALA 64 HB1 ALA 64 -3.570 -2.623 7.206 531 HB2 ALA 64 HB2 ALA 64 -4.872 -3.536 6.449 532 HB3 ALA 64 HB3 ALA 64 -5.229 -2.029 7.296 533 H MET 65 H MET 65 -1.989 -1.096 6.267 534 HA MET 65 HA MET 65 -2.641 1.475 7.219 535 HB2 MET 65 HB2 MET 65 -0.310 1.825 7.604 536 HB3 MET 65 HB3 MET 65 -0.640 0.129 7.929 537 HG2 MET 65 HG2 MET 65 0.280 -0.474 5.764 538 HG3 MET 65 HG3 MET 65 0.578 1.222 5.408 539 HE1 MET 65 HE1 MET 65 2.794 -1.274 8.575 540 HE2 MET 65 HE2 MET 65 1.583 -1.888 7.446 541 HE3 MET 65 HE3 MET 65 1.099 -0.814 8.758 542 H ILE 66 H ILE 66 -1.343 0.375 4.133 543 HA ILE 66 HA ILE 66 -0.833 2.926 3.065 544 HB ILE 66 HB ILE 66 -0.917 0.176 2.019 545 HG12 ILE 66 HG12 ILE 66 1.094 0.944 0.816 546 HG13 ILE 66 HG13 ILE 66 0.768 2.592 1.339 547 HG21 ILE 66 HG21 ILE 66 -1.477 2.446 0.110 548 HG22 ILE 66 HG22 ILE 66 -2.565 1.111 0.499 549 HG23 ILE 66 HG23 ILE 66 -1.050 0.794 -0.347 550 HD11 ILE 66 HD11 ILE 66 2.531 1.488 2.656 551 HD12 ILE 66 HD12 ILE 66 1.356 0.286 3.192 552 HD13 ILE 66 HD13 ILE 66 1.155 1.978 3.640 553 H GLU 67 H GLU 67 -3.723 0.877 2.964 554 HA GLU 67 HA GLU 67 -5.145 2.603 1.210 555 HB2 GLU 67 HB2 GLU 67 -6.040 0.390 3.035 556 HB3 GLU 67 HB3 GLU 67 -7.170 1.323 2.063 557 HG2 GLU 67 HG2 GLU 67 -5.916 0.645 0.043 558 HG3 GLU 67 HG3 GLU 67 -4.906 -0.381 1.060 559 H GLY 68 H GLY 68 -4.892 2.355 4.710 560 HA2 GLY 68 HA2 GLY 68 -7.041 4.088 5.334 561 HA3 GLY 68 HA3 GLY 68 -5.691 3.695 6.389 562 H ALA 69 H ALA 69 -3.588 4.624 4.945 563 HA ALA 69 HA ALA 69 -3.704 7.425 5.506 564 HB1 ALA 69 HB1 ALA 69 -1.638 6.136 5.804 565 HB2 ALA 69 HB2 ALA 69 -1.396 7.492 4.701 566 HB3 ALA 69 HB3 ALA 69 -1.563 5.855 4.064 567 H GLN 70 H GLN 70 -3.863 5.458 2.618 568 HA GLN 70 HA GLN 70 -3.592 7.550 0.718 569 HB2 GLN 70 HB2 GLN 70 -3.569 4.955 0.380 570 HB3 GLN 70 HB3 GLN 70 -5.303 5.159 0.172 571 HG2 GLN 70 HG2 GLN 70 -4.678 6.947 -1.557 572 HG3 GLN 70 HG3 GLN 70 -3.070 6.218 -1.496 573 HE21 GLN 70 HE21 GLN 70 -6.363 5.818 -2.448 574 HE22 GLN 70 HE22 GLN 70 -6.121 4.384 -3.390 575 H GLY 71 H GLY 71 -6.348 6.025 2.232 576 HA2 GLY 71 HA2 GLY 71 -8.389 7.418 0.794 577 HA3 GLY 71 HA3 GLY 71 -8.613 6.591 2.332 578 H ALA 72 H ALA 72 -6.703 8.019 3.743 579 HA ALA 72 HA ALA 72 -8.259 10.246 4.637 580 HB1 ALA 72 HB1 ALA 72 -6.407 10.674 6.185 581 HB2 ALA 72 HB2 ALA 72 -5.409 9.507 5.320 582 HB3 ALA 72 HB3 ALA 72 -6.848 8.966 6.183 583 H LEU 73 H LEU 73 -5.073 9.954 3.113 584 HA LEU 73 HA LEU 73 -4.511 12.616 2.710 585 HB2 LEU 73 HB2 LEU 73 -2.937 10.751 2.410 586 HB3 LEU 73 HB3 LEU 73 -3.773 10.290 0.943 587 HG LEU 73 HG LEU 73 -3.154 12.500 -0.029 588 HD11 LEU 73 HD11 LEU 73 -1.472 12.711 2.460 589 HD12 LEU 73 HD12 LEU 73 -2.815 13.762 2.004 590 HD13 LEU 73 HD13 LEU 73 -1.337 13.753 1.043 591 HD21 LEU 73 HD21 LEU 73 -1.886 10.511 -0.568 592 HD22 LEU 73 HD22 LEU 73 -0.904 10.717 0.880 593 HD23 LEU 73 HD23 LEU 73 -0.806 11.897 -0.428 594 H GLU 74 H GLU 74 -6.142 10.370 0.444 595 HA GLU 74 HA GLU 74 -6.470 12.133 -1.672 596 HB2 GLU 74 HB2 GLU 74 -8.209 9.824 -0.785 597 HB3 GLU 74 HB3 GLU 74 -8.454 10.688 -2.298 598 HG2 GLU 74 HG2 GLU 74 -6.167 10.063 -2.994 599 HG3 GLU 74 HG3 GLU 74 -5.987 9.145 -1.501 600 H ARG 75 H ARG 75 -8.699 11.526 1.016 601 HA ARG 75 HA ARG 75 -10.728 13.303 0.268 602 HB2 ARG 75 HB2 ARG 75 -10.851 11.574 2.065 603 HB3 ARG 75 HB3 ARG 75 -9.860 12.611 3.078 604 HG2 ARG 75 HG2 ARG 75 -11.613 14.341 2.961 605 HG3 ARG 75 HG3 ARG 75 -12.613 13.224 2.028 606 HD2 ARG 75 HD2 ARG 75 -11.625 12.857 4.851 607 HD3 ARG 75 HD3 ARG 75 -13.284 13.139 4.337 608 HE ARG 75 HE ARG 75 -12.041 10.763 3.235 609 HH11 ARG 75 HH11 ARG 75 -14.051 12.096 5.770 610 HH12 ARG 75 HH12 ARG 75 -14.691 10.564 6.246 611 HH21 ARG 75 HH21 ARG 75 -12.873 8.730 3.855 612 HH22 ARG 75 HH22 ARG 75 -14.020 8.629 5.147 613 H GLU 76 H GLU 76 -7.845 13.822 2.243 614 HA GLU 76 HA GLU 76 -8.428 16.522 2.864 615 HB2 GLU 76 HB2 GLU 76 -5.918 14.891 3.051 616 HB3 GLU 76 HB3 GLU 76 -5.936 16.602 3.456 617 HG2 GLU 76 HG2 GLU 76 -7.627 14.473 4.746 618 HG3 GLU 76 HG3 GLU 76 -6.175 15.198 5.435 619 H LEU 77 H LEU 77 -6.009 15.163 0.608 620 HA LEU 77 HA LEU 77 -5.202 17.583 -0.426 621 HB2 LEU 77 HB2 LEU 77 -4.391 16.377 -2.436 622 HB3 LEU 77 HB3 LEU 77 -3.889 15.659 -0.928 623 HG LEU 77 HG LEU 77 -5.750 13.953 -1.276 624 HD11 LEU 77 HD11 LEU 77 -7.037 15.169 -2.957 625 HD12 LEU 77 HD12 LEU 77 -6.502 13.604 -3.571 626 HD13 LEU 77 HD13 LEU 77 -5.674 15.078 -4.073 627 HD21 LEU 77 HD21 LEU 77 -3.346 13.529 -1.640 628 HD22 LEU 77 HD22 LEU 77 -3.538 14.022 -3.321 629 HD23 LEU 77 HD23 LEU 77 -4.380 12.593 -2.718 630 H LYS 78 H LYS 78 -8.248 16.152 -0.865 631 HA LYS 78 HA LYS 78 -8.760 17.193 -3.457 632 HB2 LYS 78 HB2 LYS 78 -10.333 15.910 -1.310 633 HB3 LYS 78 HB3 LYS 78 -11.212 16.794 -2.573 634 HG2 LYS 78 HG2 LYS 78 -9.405 14.407 -2.851 635 HG3 LYS 78 HG3 LYS 78 -11.123 14.524 -3.254 636 HD2 LYS 78 HD2 LYS 78 -10.486 16.200 -5.018 637 HD3 LYS 78 HD3 LYS 78 -8.797 15.833 -4.670 638 HE2 LYS 78 HE2 LYS 78 -10.890 13.964 -5.741 639 HE3 LYS 78 HE3 LYS 78 -9.447 14.569 -6.557 640 HZ1 LYS 78 HZ1 LYS 78 -9.474 12.773 -4.194 641 HZ2 LYS 78 HZ2 LYS 78 -8.089 13.358 -4.963 642 HZ3 LYS 78 HZ3 LYS 78 -9.135 12.313 -5.780 643 H ARG 79 H ARG 79 -8.506 18.611 -0.408 644 HA ARG 79 HA ARG 79 -10.451 20.674 -0.725 645 HB2 ARG 79 HB2 ARG 79 -9.490 21.683 1.215 646 HB3 ARG 79 HB3 ARG 79 -9.462 19.947 1.473 647 HG2 ARG 79 HG2 ARG 79 -7.042 20.047 0.641 648 HG3 ARG 79 HG3 ARG 79 -7.174 21.791 0.872 649 HD2 ARG 79 HD2 ARG 79 -7.636 19.685 2.983 650 HD3 ARG 79 HD3 ARG 79 -6.195 20.686 2.831 651 HE ARG 79 HE ARG 79 -7.828 22.616 3.185 652 HH11 ARG 79 HH11 ARG 79 -8.316 19.426 4.583 653 HH12 ARG 79 HH12 ARG 79 -9.167 20.025 5.959 654 HH21 ARG 79 HH21 ARG 79 -8.944 23.401 5.018 655 HH22 ARG 79 HH22 ARG 79 -9.525 22.294 6.215 656 H THR 80 H THR 80 -7.411 20.090 -2.094 657 HA THR 80 HA THR 80 -6.775 22.855 -2.630 658 HB THR 80 HB THR 80 -5.516 20.409 -3.874 659 HG1 THR 80 HG1 THR 80 -4.538 20.039 -2.046 660 HG21 THR 80 HG21 THR 80 -4.943 22.572 -4.881 661 HG22 THR 80 HG22 THR 80 -3.558 21.872 -4.046 662 HG23 THR 80 HG23 THR 80 -4.467 23.185 -3.298 663 H ASP 81 H ASP 81 -7.025 23.858 -4.553 664 HA ASP 81 HA ASP 81 -7.968 22.446 -6.887 665 HB2 ASP 81 HB2 ASP 81 -9.995 22.886 -5.323 666 HB3 ASP 81 HB3 ASP 81 -9.843 24.555 -5.856 667 H LEU 82 H LEU 82 -8.922 24.348 -8.398 668 HA LEU 82 HA LEU 82 -8.186 25.846 -9.970 669 HB2 LEU 82 HB2 LEU 82 -8.630 27.150 -7.578 670 HB3 LEU 82 HB3 LEU 82 -7.045 27.729 -8.047 671 HG LEU 82 HG LEU 82 -8.783 29.251 -8.799 672 HD11 LEU 82 HD11 LEU 82 -8.208 29.371 -11.175 673 HD12 LEU 82 HD12 LEU 82 -7.500 27.760 -11.076 674 HD13 LEU 82 HD13 LEU 82 -6.793 29.091 -10.161 675 HD21 LEU 82 HD21 LEU 82 -10.422 28.587 -10.478 676 HD22 LEU 82 HD22 LEU 82 -10.619 27.650 -8.997 677 HD23 LEU 82 HD23 LEU 82 -9.840 26.925 -10.401 678 H ASN 83 H ASN 83 -6.553 24.276 -10.564 679 HA ASN 83 HA ASN 83 -4.073 25.432 -11.125 680 HB2 ASN 83 HB2 ASN 83 -3.840 24.985 -8.624 681 HB3 ASN 83 HB3 ASN 83 -3.736 23.282 -9.081 682 HD21 ASN 83 HD21 ASN 83 -1.860 25.576 -8.167 683 HD22 ASN 83 HD22 ASN 83 -0.487 25.333 -9.187 684 H ILE 84 H ILE 84 -4.155 24.600 -13.076 685 HA ILE 84 HA ILE 84 -5.145 22.113 -13.846 686 HB ILE 84 HB ILE 84 -3.072 23.800 -15.266 687 HG12 ILE 84 HG12 ILE 84 -6.084 23.673 -15.563 688 HG13 ILE 84 HG13 ILE 84 -5.191 24.967 -14.776 689 HG21 ILE 84 HG21 ILE 84 -4.841 21.595 -16.336 690 HG22 ILE 84 HG22 ILE 84 -3.093 21.516 -16.132 691 HG23 ILE 84 HG23 ILE 84 -3.794 22.633 -17.303 692 HD11 ILE 84 HD11 ILE 84 -5.021 24.213 -17.682 693 HD12 ILE 84 HD12 ILE 84 -4.119 25.509 -16.898 694 HD13 ILE 84 HD13 ILE 84 -5.876 25.602 -17.011 695 H LEU 85 H LEU 85 -1.947 22.958 -12.644 696 HA LEU 85 HA LEU 85 -0.633 20.589 -13.568 697 HB2 LEU 85 HB2 LEU 85 0.586 22.658 -13.087 698 HB3 LEU 85 HB3 LEU 85 0.070 22.578 -11.413 699 HG LEU 85 HG LEU 85 1.350 20.453 -11.170 700 HD11 LEU 85 HD11 LEU 85 1.392 19.750 -13.489 701 HD12 LEU 85 HD12 LEU 85 3.033 19.902 -12.861 702 HD13 LEU 85 HD13 LEU 85 2.374 21.150 -13.917 703 HD21 LEU 85 HD21 LEU 85 3.549 21.524 -11.098 704 HD22 LEU 85 HD22 LEU 85 2.290 22.571 -10.442 705 HD23 LEU 85 HD23 LEU 85 2.925 22.863 -12.061 706 H GLU 86 H GLU 86 -1.861 21.738 -10.439 707 HA GLU 86 HA GLU 86 -1.256 19.431 -8.992 708 HB2 GLU 86 HB2 GLU 86 -3.466 21.437 -8.531 709 HB3 GLU 86 HB3 GLU 86 -2.959 20.216 -7.369 710 HG2 GLU 86 HG2 GLU 86 -0.681 21.212 -7.410 711 HG3 GLU 86 HG3 GLU 86 -1.318 22.504 -8.422 712 H ARG 87 H ARG 87 -4.104 20.277 -10.944 713 HA ARG 87 HA ARG 87 -5.723 18.130 -10.311 714 HB2 ARG 87 HB2 ARG 87 -6.491 19.977 -11.687 715 HB3 ARG 87 HB3 ARG 87 -5.313 19.588 -12.929 716 HG2 ARG 87 HG2 ARG 87 -7.459 18.849 -13.656 717 HG3 ARG 87 HG3 ARG 87 -6.481 17.429 -13.283 718 HD2 ARG 87 HD2 ARG 87 -7.577 17.318 -11.064 719 HD3 ARG 87 HD3 ARG 87 -8.611 18.663 -11.547 720 HE ARG 87 HE ARG 87 -8.554 16.172 -13.106 721 HH11 ARG 87 HH11 ARG 87 -10.325 18.535 -11.179 722 HH12 ARG 87 HH12 ARG 87 -11.877 17.891 -11.576 723 HH21 ARG 87 HH21 ARG 87 -10.628 15.298 -13.603 724 HH22 ARG 87 HH22 ARG 87 -12.049 16.029 -12.942 725 H PHE 88 H PHE 88 -3.283 18.434 -12.852 726 HA PHE 88 HA PHE 88 -3.470 15.875 -13.941 727 HB2 PHE 88 HB2 PHE 88 -2.359 17.636 -15.135 728 HB3 PHE 88 HB3 PHE 88 -1.199 17.863 -13.836 729 HD1 PHE 88 HD1 PHE 88 -2.345 15.314 -16.294 730 HD2 PHE 88 HD2 PHE 88 0.863 16.859 -13.973 731 HE1 PHE 88 HE1 PHE 88 -0.794 13.776 -17.425 732 HE2 PHE 88 HE2 PHE 88 2.424 15.320 -15.095 733 HZ PHE 88 HZ PHE 88 1.593 13.776 -16.824 734 H ASN 89 H ASN 89 -1.339 17.116 -11.391 735 HA ASN 89 HA ASN 89 0.109 14.717 -11.020 736 HB2 ASN 89 HB2 ASN 89 -0.320 17.091 -9.204 737 HB3 ASN 89 HB3 ASN 89 0.699 15.727 -8.757 738 HD21 ASN 89 HD21 ASN 89 2.555 16.988 -8.682 739 HD22 ASN 89 HD22 ASN 89 3.312 17.599 -10.110 740 H TYR 90 H TYR 90 -2.657 16.048 -9.224 741 HA TYR 90 HA TYR 90 -3.028 14.016 -7.373 742 HB2 TYR 90 HB2 TYR 90 -4.947 15.854 -8.773 743 HB3 TYR 90 HB3 TYR 90 -5.529 14.649 -7.631 744 HD1 TYR 90 HD1 TYR 90 -2.284 16.253 -7.083 745 HD2 TYR 90 HD2 TYR 90 -6.441 16.383 -6.211 746 HE1 TYR 90 HE1 TYR 90 -1.835 17.791 -5.227 747 HE2 TYR 90 HE2 TYR 90 -6.022 17.910 -4.363 748 HH TYR 90 HH TYR 90 -2.925 19.412 -3.888 749 H GLU 91 H GLU 91 -4.492 14.307 -10.544 750 HA GLU 91 HA GLU 91 -5.850 11.863 -10.593 751 HB2 GLU 91 HB2 GLU 91 -4.757 13.599 -12.785 752 HB3 GLU 91 HB3 GLU 91 -5.637 12.116 -13.125 753 HG2 GLU 91 HG2 GLU 91 -7.508 13.062 -11.719 754 HG3 GLU 91 HG3 GLU 91 -6.637 14.595 -11.771 755 H GLU 92 H GLU 92 -2.517 12.644 -11.381 756 HA GLU 92 HA GLU 92 -1.891 10.138 -12.554 757 HB2 GLU 92 HB2 GLU 92 -0.627 12.379 -12.742 758 HB3 GLU 92 HB3 GLU 92 0.101 11.938 -11.205 759 HG2 GLU 92 HG2 GLU 92 1.580 11.301 -12.963 760 HG3 GLU 92 HG3 GLU 92 0.900 9.841 -12.240 761 H ALA 93 H ALA 93 -1.660 11.458 -9.249 762 HA ALA 93 HA ALA 93 -0.202 9.309 -8.155 763 HB1 ALA 93 HB1 ALA 93 -2.096 11.258 -6.829 764 HB2 ALA 93 HB2 ALA 93 -0.365 11.501 -7.063 765 HB3 ALA 93 HB3 ALA 93 -0.941 10.217 -5.999 766 H GLN 94 H GLN 94 -3.620 10.071 -8.481 767 HA GLN 94 HA GLN 94 -4.692 7.871 -7.110 768 HB2 GLN 94 HB2 GLN 94 -6.034 9.808 -7.752 769 HB3 GLN 94 HB3 GLN 94 -5.790 9.440 -9.452 770 HG2 GLN 94 HG2 GLN 94 -7.056 7.376 -9.197 771 HG3 GLN 94 HG3 GLN 94 -7.277 7.718 -7.482 772 HE21 GLN 94 HE21 GLN 94 -8.148 8.624 -10.716 773 HE22 GLN 94 HE22 GLN 94 -9.523 9.579 -10.288 774 H THR 95 H THR 95 -3.656 8.314 -10.420 775 HA THR 95 HA THR 95 -4.517 5.873 -11.443 776 HB THR 95 HB THR 95 -2.164 7.568 -12.292 777 HG1 THR 95 HG1 THR 95 -3.631 8.666 -13.397 778 HG21 THR 95 HG21 THR 95 -3.578 5.344 -13.785 779 HG22 THR 95 HG22 THR 95 -1.963 5.236 -13.086 780 HG23 THR 95 HG23 THR 95 -2.275 6.358 -14.413 781 H LEU 96 H LEU 96 -1.297 6.739 -9.979 782 HA LEU 96 HA LEU 96 -0.293 4.137 -10.454 783 HB2 LEU 96 HB2 LEU 96 0.717 6.318 -8.639 784 HB3 LEU 96 HB3 LEU 96 1.598 4.869 -9.077 785 HG LEU 96 HG LEU 96 0.763 7.051 -10.991 786 HD11 LEU 96 HD11 LEU 96 3.152 7.560 -11.103 787 HD12 LEU 96 HD12 LEU 96 3.464 6.353 -9.857 788 HD13 LEU 96 HD13 LEU 96 2.511 7.788 -9.475 789 HD21 LEU 96 HD21 LEU 96 0.838 4.883 -12.088 790 HD22 LEU 96 HD22 LEU 96 2.437 4.574 -11.416 791 HD23 LEU 96 HD23 LEU 96 2.211 5.867 -12.593 792 H SER 97 H SER 97 -1.785 5.762 -7.698 793 HA SER 97 HA SER 97 -1.162 3.812 -5.784 794 HB2 SER 97 HB2 SER 97 -3.173 4.759 -4.542 795 HB3 SER 97 HB3 SER 97 -1.914 5.915 -4.976 796 HG SER 97 HG SER 97 -3.179 6.761 -6.508 797 H LYS 98 H LYS 98 -3.974 4.176 -7.925 798 HA LYS 98 HA LYS 98 -5.455 2.007 -7.054 799 HB2 LYS 98 HB2 LYS 98 -6.175 3.830 -8.606 800 HB3 LYS 98 HB3 LYS 98 -5.220 3.073 -9.870 801 HG2 LYS 98 HG2 LYS 98 -6.610 1.041 -9.639 802 HG3 LYS 98 HG3 LYS 98 -7.607 1.905 -8.466 803 HD2 LYS 98 HD2 LYS 98 -7.172 2.687 -11.355 804 HD3 LYS 98 HD3 LYS 98 -8.635 1.965 -10.683 805 HE2 LYS 98 HE2 LYS 98 -8.939 3.930 -9.249 806 HE3 LYS 98 HE3 LYS 98 -7.475 4.646 -9.917 807 HZ1 LYS 98 HZ1 LYS 98 -9.467 5.529 -10.961 808 HZ2 LYS 98 HZ2 LYS 98 -9.920 3.983 -11.465 809 HZ3 LYS 98 HZ3 LYS 98 -8.519 4.699 -12.080 810 H ILE 99 H ILE 99 -2.864 2.235 -9.492 811 HA ILE 99 HA ILE 99 -2.997 -0.414 -10.387 812 HB ILE 99 HB ILE 99 -0.617 1.457 -10.285 813 HG12 ILE 99 HG12 ILE 99 -2.493 0.764 -12.558 814 HG13 ILE 99 HG13 ILE 99 -2.539 2.256 -11.627 815 HG21 ILE 99 HG21 ILE 99 0.129 -0.858 -10.465 816 HG22 ILE 99 HG22 ILE 99 0.395 -0.001 -11.984 817 HG23 ILE 99 HG23 ILE 99 -0.962 -1.117 -11.827 818 HD11 ILE 99 HD11 ILE 99 -0.277 1.331 -13.385 819 HD12 ILE 99 HD12 ILE 99 -0.299 2.818 -12.437 820 HD13 ILE 99 HD13 ILE 99 -1.446 2.598 -13.758 821 H LEU 100 H LEU 100 -1.092 1.132 -7.846 822 HA LEU 100 HA LEU 100 0.424 -1.038 -6.994 823 HB2 LEU 100 HB2 LEU 100 0.467 1.512 -6.370 824 HB3 LEU 100 HB3 LEU 100 -0.611 1.032 -5.080 825 HG LEU 100 HG LEU 100 1.744 1.244 -4.358 826 HD11 LEU 100 HD11 LEU 100 1.921 -0.876 -3.163 827 HD12 LEU 100 HD12 LEU 100 0.670 -1.561 -4.201 828 HD13 LEU 100 HD13 LEU 100 0.281 -0.228 -3.115 829 HD21 LEU 100 HD21 LEU 100 3.408 -0.374 -5.062 830 HD22 LEU 100 HD22 LEU 100 2.811 0.539 -6.447 831 HD23 LEU 100 HD23 LEU 100 2.254 -1.111 -6.170 832 H LEU 101 H LEU 101 -2.696 0.156 -5.744 833 HA LEU 101 HA LEU 101 -3.097 -1.816 -3.792 834 HB2 LEU 101 HB2 LEU 101 -5.146 -0.285 -5.395 835 HB3 LEU 101 HB3 LEU 101 -5.501 -1.226 -3.961 836 HG LEU 101 HG LEU 101 -3.774 1.245 -4.070 837 HD11 LEU 101 HD11 LEU 101 -5.574 2.268 -2.779 838 HD12 LEU 101 HD12 LEU 101 -6.517 0.782 -2.913 839 HD13 LEU 101 HD13 LEU 101 -6.140 1.723 -4.357 840 HD21 LEU 101 HD21 LEU 101 -4.602 -0.482 -1.742 841 HD22 LEU 101 HD22 LEU 101 -3.786 1.076 -1.615 842 HD23 LEU 101 HD23 LEU 101 -2.966 -0.288 -2.374 843 H LYS 102 H LYS 102 -4.031 -1.731 -7.224 844 HA LYS 102 HA LYS 102 -5.440 -4.113 -7.367 845 HB2 LYS 102 HB2 LYS 102 -5.274 -2.598 -9.265 846 HB3 LYS 102 HB3 LYS 102 -3.540 -2.868 -9.363 847 HG2 LYS 102 HG2 LYS 102 -4.213 -5.358 -9.711 848 HG3 LYS 102 HG3 LYS 102 -5.783 -4.681 -10.140 849 HD2 LYS 102 HD2 LYS 102 -4.490 -4.970 -12.152 850 HD3 LYS 102 HD3 LYS 102 -4.641 -3.243 -11.822 851 HE2 LYS 102 HE2 LYS 102 -2.361 -3.901 -12.528 852 HE3 LYS 102 HE3 LYS 102 -2.392 -3.175 -10.927 853 HZ1 LYS 102 HZ1 LYS 102 -0.959 -5.119 -10.977 854 HZ2 LYS 102 HZ2 LYS 102 -2.244 -6.103 -11.494 855 HZ3 LYS 102 HZ3 LYS 102 -2.283 -5.395 -9.968 856 H ASP 103 H ASP 103 -1.915 -3.559 -7.814 857 HA ASP 103 HA ASP 103 -1.281 -6.236 -8.234 858 HB2 ASP 103 HB2 ASP 103 0.142 -3.782 -7.997 859 HB3 ASP 103 HB3 ASP 103 0.945 -4.997 -7.006 860 H LEU 104 H LEU 104 -1.656 -4.448 -5.100 861 HA LEU 104 HA LEU 104 -0.442 -6.365 -3.526 862 HB2 LEU 104 HB2 LEU 104 -2.788 -4.555 -2.927 863 HB3 LEU 104 HB3 LEU 104 -1.838 -5.411 -1.731 864 HG LEU 104 HG LEU 104 -0.830 -3.209 -3.532 865 HD11 LEU 104 HD11 LEU 104 -0.722 -1.883 -1.496 866 HD12 LEU 104 HD12 LEU 104 -1.404 -3.224 -0.574 867 HD13 LEU 104 HD13 LEU 104 -2.373 -2.420 -1.809 868 HD21 LEU 104 HD21 LEU 104 0.935 -4.777 -3.038 869 HD22 LEU 104 HD22 LEU 104 0.529 -4.745 -1.322 870 HD23 LEU 104 HD23 LEU 104 1.179 -3.304 -2.102 871 H LYS 105 H LYS 105 -3.876 -5.909 -4.350 872 HA LYS 105 HA LYS 105 -4.686 -8.299 -3.071 873 HB2 LYS 105 HB2 LYS 105 -6.151 -6.674 -5.147 874 HB3 LYS 105 HB3 LYS 105 -6.860 -7.953 -4.168 875 HG2 LYS 105 HG2 LYS 105 -6.109 -6.580 -2.146 876 HG3 LYS 105 HG3 LYS 105 -5.863 -5.262 -3.293 877 HD2 LYS 105 HD2 LYS 105 -8.040 -4.984 -2.392 878 HD3 LYS 105 HD3 LYS 105 -8.248 -5.610 -4.028 879 HE2 LYS 105 HE2 LYS 105 -9.752 -6.725 -2.457 880 HE3 LYS 105 HE3 LYS 105 -8.590 -7.859 -3.134 881 HZ1 LYS 105 HZ1 LYS 105 -7.336 -7.816 -1.104 882 HZ2 LYS 105 HZ2 LYS 105 -8.948 -8.089 -0.702 883 HZ3 LYS 105 HZ3 LYS 105 -8.280 -6.555 -0.479 884 H GLU 106 H GLU 106 -3.396 -7.664 -6.167 885 HA GLU 106 HA GLU 106 -4.310 -10.013 -7.489 886 HB2 GLU 106 HB2 GLU 106 -3.344 -7.875 -8.510 887 HB3 GLU 106 HB3 GLU 106 -1.768 -8.495 -8.050 888 HG2 GLU 106 HG2 GLU 106 -2.137 -10.456 -9.453 889 HG3 GLU 106 HG3 GLU 106 -3.711 -9.811 -9.925 890 H THR 107 H THR 107 -1.423 -9.094 -5.766 891 HA THR 107 HA THR 107 -0.113 -11.632 -5.899 892 HB THR 107 HB THR 107 0.275 -9.558 -3.719 893 HG1 THR 107 HG1 THR 107 0.590 -8.510 -5.685 894 HG21 THR 107 HG21 THR 107 2.549 -10.481 -3.617 895 HG22 THR 107 HG22 THR 107 2.136 -11.643 -4.877 896 HG23 THR 107 HG23 THR 107 1.343 -11.731 -3.305 897 H GLU 108 H GLU 108 -2.205 -10.054 -3.518 898 HA GLU 108 HA GLU 108 -2.501 -11.924 -1.564 899 HB2 GLU 108 HB2 GLU 108 -3.613 -9.763 -1.549 900 HB3 GLU 108 HB3 GLU 108 -4.594 -10.229 -2.927 901 HG2 GLU 108 HG2 GLU 108 -5.562 -12.034 -1.446 902 HG3 GLU 108 HG3 GLU 108 -4.782 -11.201 -0.100 903 H GLN 109 H GLN 109 -4.360 -11.735 -4.602 904 HA GLN 109 HA GLN 109 -5.854 -14.031 -4.446 905 HB2 GLN 109 HB2 GLN 109 -6.103 -12.328 -6.190 906 HB3 GLN 109 HB3 GLN 109 -4.584 -12.843 -6.906 907 HG2 GLN 109 HG2 GLN 109 -5.673 -15.133 -7.148 908 HG3 GLN 109 HG3 GLN 109 -7.192 -14.311 -6.796 909 HE21 GLN 109 HE21 GLN 109 -8.036 -14.717 -8.812 910 HE22 GLN 109 HE22 GLN 109 -7.476 -13.926 -10.243 911 H LYS 110 H LYS 110 -2.520 -13.671 -5.523 912 HA LYS 110 HA LYS 110 -2.267 -16.346 -6.415 913 HB2 LYS 110 HB2 LYS 110 -0.410 -14.091 -5.971 914 HB3 LYS 110 HB3 LYS 110 0.293 -15.699 -5.950 915 HG2 LYS 110 HG2 LYS 110 0.437 -14.730 -8.166 916 HG3 LYS 110 HG3 LYS 110 -0.626 -16.137 -8.175 917 HD2 LYS 110 HD2 LYS 110 -2.571 -14.603 -8.029 918 HD3 LYS 110 HD3 LYS 110 -1.459 -13.238 -8.152 919 HE2 LYS 110 HE2 LYS 110 -0.673 -14.141 -10.321 920 HE3 LYS 110 HE3 LYS 110 -1.900 -15.400 -10.201 921 HZ1 LYS 110 HZ1 LYS 110 -3.604 -13.680 -10.181 922 HZ2 LYS 110 HZ2 LYS 110 -2.654 -13.582 -11.575 923 HZ3 LYS 110 HZ3 LYS 110 -2.412 -12.483 -10.317 924 H VAL 111 H VAL 111 -1.298 -14.779 -3.369 925 HA VAL 111 HA VAL 111 -0.108 -17.093 -2.283 926 HB VAL 111 HB VAL 111 0.363 -14.842 -1.371 927 HG11 VAL 111 HG11 VAL 111 -2.398 -14.965 -0.189 928 HG12 VAL 111 HG12 VAL 111 -1.857 -13.879 -1.466 929 HG13 VAL 111 HG13 VAL 111 -1.177 -13.742 0.157 930 HG21 VAL 111 HG21 VAL 111 0.373 -15.425 1.003 931 HG22 VAL 111 HG22 VAL 111 0.867 -16.782 -0.007 932 HG23 VAL 111 HG23 VAL 111 -0.756 -16.741 0.681 933 H LYS 112 H LYS 112 -3.404 -15.833 -2.028 934 HA LYS 112 HA LYS 112 -4.346 -17.902 -0.345 935 HB2 LYS 112 HB2 LYS 112 -6.577 -17.104 -0.905 936 HB3 LYS 112 HB3 LYS 112 -5.505 -15.746 -0.591 937 HG2 LYS 112 HG2 LYS 112 -5.233 -15.513 -3.058 938 HG3 LYS 112 HG3 LYS 112 -6.489 -16.731 -3.244 939 HD2 LYS 112 HD2 LYS 112 -6.872 -14.163 -1.707 940 HD3 LYS 112 HD3 LYS 112 -7.286 -14.344 -3.406 941 HE2 LYS 112 HE2 LYS 112 -8.423 -15.960 -1.149 942 HE3 LYS 112 HE3 LYS 112 -9.203 -14.606 -1.967 943 HZ1 LYS 112 HZ1 LYS 112 -9.223 -15.852 -4.010 944 HZ2 LYS 112 HZ2 LYS 112 -9.957 -16.775 -2.805 945 HZ3 LYS 112 HZ3 LYS 112 -8.391 -17.138 -3.302 946 H ASP 113 H ASP 113 -3.735 -17.772 -3.743 947 HA ASP 113 HA ASP 113 -5.527 -19.921 -4.421 948 HB2 ASP 113 HB2 ASP 113 -4.838 -18.064 -6.003 949 HB3 ASP 113 HB3 ASP 113 -3.284 -18.878 -6.147 950 H ILE 114 H ILE 114 -2.189 -19.733 -3.353 951 HA ILE 114 HA ILE 114 -1.457 -22.320 -4.376 952 HB ILE 114 HB ILE 114 -0.141 -20.287 -2.614 953 HG12 ILE 114 HG12 ILE 114 1.788 -20.753 -4.079 954 HG13 ILE 114 HG13 ILE 114 0.881 -22.033 -4.863 955 HG21 ILE 114 HG21 ILE 114 1.615 -21.828 -1.903 956 HG22 ILE 114 HG22 ILE 114 0.735 -23.175 -2.621 957 HG23 ILE 114 HG23 ILE 114 0.047 -22.305 -1.249 958 HD11 ILE 114 HD11 ILE 114 0.195 -19.109 -4.899 959 HD12 ILE 114 HD12 ILE 114 -0.714 -20.396 -5.694 960 HD13 ILE 114 HD13 ILE 114 0.932 -20.030 -6.210 961 H GLN 115 H GLN 115 -2.037 -24.221 -3.564 962 HA GLN 115 HA GLN 115 -3.502 -24.333 -1.100 963 HB2 GLN 115 HB2 GLN 115 -3.712 -26.750 -1.614 964 HB3 GLN 115 HB3 GLN 115 -4.267 -25.715 -2.921 965 HG2 GLN 115 HG2 GLN 115 -2.135 -26.085 -4.082 966 HG3 GLN 115 HG3 GLN 115 -1.638 -27.165 -2.781 967 HE21 GLN 115 HE21 GLN 115 -1.464 -28.913 -4.179 968 HE22 GLN 115 HE22 GLN 115 -2.844 -29.708 -4.845 969 H THR 116 H THR 116 -2.670 -24.669 0.792 970 HA THR 116 HA THR 116 0.010 -25.853 0.963 971 HB THR 116 HB THR 116 0.289 -24.570 3.066 972 HG1 THR 116 HG1 THR 116 -1.483 -22.674 2.840 973 HG21 THR 116 HG21 THR 116 0.584 -22.385 1.969 974 HG22 THR 116 HG22 THR 116 -0.413 -22.947 0.622 975 HG23 THR 116 HG23 THR 116 1.142 -23.709 0.940 976 H GLN 117 H GLN 117 0.335 -26.586 3.412 977 HA GLN 117 HA GLN 117 -1.915 -28.387 4.003 978 HB2 GLN 117 HB2 GLN 117 1.041 -28.890 4.153 979 HB3 GLN 117 HB3 GLN 117 -0.149 -29.969 4.868 980 HG2 GLN 117 HG2 GLN 117 0.058 -29.275 1.938 981 HG3 GLN 117 HG3 GLN 117 0.624 -30.770 2.684 982 HE21 GLN 117 HE21 GLN 117 -1.358 -30.364 0.579 983 HE22 GLN 117 HE22 GLN 117 -2.823 -31.077 1.153 Start of MODEL 2 1 H GLN 1 H1 GLN 1 14.265 15.323 32.014 2 HA GLN 1 HA GLN 1 11.508 16.331 31.844 3 HB2 GLN 1 HB2 GLN 1 12.531 18.488 32.648 4 HB3 GLN 1 HB3 GLN 1 12.434 17.219 33.854 5 HG2 GLN 1 HG2 GLN 1 14.951 17.605 32.300 6 HG3 GLN 1 HG3 GLN 1 14.567 18.687 33.637 7 HE21 GLN 1 HE21 GLN 1 14.438 17.841 35.728 8 HE22 GLN 1 HE22 GLN 1 15.177 16.336 36.142 9 H GLU 2 H GLU 2 11.671 18.575 30.682 10 HA GLU 2 HA GLU 2 13.388 18.202 28.328 11 HB2 GLU 2 HB2 GLU 2 11.095 17.469 27.837 12 HB3 GLU 2 HB3 GLU 2 10.487 19.037 28.341 13 HG2 GLU 2 HG2 GLU 2 11.628 20.109 26.503 14 HG3 GLU 2 HG3 GLU 2 12.346 18.570 26.023 15 H HIS 3 H HIS 3 14.699 19.859 28.120 16 HA HIS 3 HA HIS 3 13.708 22.558 28.766 17 HB2 HIS 3 HB2 HIS 3 16.386 21.312 29.382 18 HB3 HIS 3 HB3 HIS 3 16.209 23.054 29.238 19 HD1 HIS 3 HD1 HIS 3 15.705 24.215 31.359 20 HD2 HIS 3 HD2 HIS 3 14.504 20.240 31.468 21 HE1 HIS 3 HE1 HIS 3 14.900 23.814 33.707 22 HE2 HIS 3 HE2 HIS 3 14.095 21.429 33.721 23 H LYS 4 H LYS 4 13.632 21.131 26.290 24 HA LYS 4 HA LYS 4 15.786 22.127 24.631 25 HB2 LYS 4 HB2 LYS 4 13.284 20.609 23.886 26 HB3 LYS 4 HB3 LYS 4 14.656 20.913 22.836 27 HG2 LYS 4 HG2 LYS 4 16.055 19.471 24.135 28 HG3 LYS 4 HG3 LYS 4 14.821 19.316 25.384 29 HD2 LYS 4 HD2 LYS 4 14.625 17.321 24.168 30 HD3 LYS 4 HD3 LYS 4 13.339 18.330 23.517 31 HE2 LYS 4 HE2 LYS 4 16.061 17.958 22.245 32 HE3 LYS 4 HE3 LYS 4 14.608 17.084 21.776 33 HZ1 LYS 4 HZ1 LYS 4 13.615 19.326 21.279 34 HZ2 LYS 4 HZ2 LYS 4 14.890 18.856 20.261 35 HZ3 LYS 4 HZ3 LYS 4 15.165 19.974 21.489 36 HA PRO 5 HA PRO 5 13.518 25.777 23.252 37 HB2 PRO 5 HB2 PRO 5 14.953 26.213 20.970 38 HB3 PRO 5 HB3 PRO 5 15.558 26.648 22.573 39 HG2 PRO 5 HG2 PRO 5 16.149 24.211 20.927 40 HG3 PRO 5 HG3 PRO 5 17.273 25.245 21.830 41 HD2 PRO 5 HD2 PRO 5 16.423 22.899 22.808 42 HD3 PRO 5 HD3 PRO 5 16.696 24.299 23.867 43 H LYS 6 H LYS 6 14.226 22.937 21.307 44 HA LYS 6 HA LYS 6 11.892 23.472 19.629 45 HB2 LYS 6 HB2 LYS 6 14.287 21.703 19.240 46 HB3 LYS 6 HB3 LYS 6 12.857 21.595 18.229 47 HG2 LYS 6 HG2 LYS 6 13.189 23.746 17.336 48 HG3 LYS 6 HG3 LYS 6 14.376 24.163 18.575 49 HD2 LYS 6 HD2 LYS 6 14.774 21.958 16.564 50 HD3 LYS 6 HD3 LYS 6 15.336 23.615 16.321 51 HE2 LYS 6 HE2 LYS 6 16.752 23.492 18.231 52 HE3 LYS 6 HE3 LYS 6 16.063 21.945 18.711 53 HZ1 LYS 6 HZ1 LYS 6 17.043 20.885 16.852 54 HZ2 LYS 6 HZ2 LYS 6 18.267 21.796 17.594 55 HZ3 LYS 6 HZ3 LYS 6 17.541 22.356 16.175 56 H LYS 7 H LYS 7 10.189 22.039 19.695 57 HA LYS 7 HA LYS 7 9.928 20.476 22.016 58 HB2 LYS 7 HB2 LYS 7 8.020 21.496 20.765 59 HB3 LYS 7 HB3 LYS 7 8.250 20.291 19.505 60 HG2 LYS 7 HG2 LYS 7 6.428 19.668 20.987 61 HG3 LYS 7 HG3 LYS 7 7.759 18.514 21.109 62 HD2 LYS 7 HD2 LYS 7 8.547 19.699 23.139 63 HD3 LYS 7 HD3 LYS 7 7.141 20.758 23.031 64 HE2 LYS 7 HE2 LYS 7 5.663 18.851 23.311 65 HE3 LYS 7 HE3 LYS 7 7.050 17.763 23.338 66 HZ1 LYS 7 HZ1 LYS 7 7.835 19.017 25.325 67 HZ2 LYS 7 HZ2 LYS 7 6.401 18.148 25.566 68 HZ3 LYS 7 HZ3 LYS 7 6.343 19.823 25.349 69 H ASP 8 H ASP 8 10.275 19.493 18.611 70 HA ASP 8 HA ASP 8 11.657 17.104 19.558 71 HB2 ASP 8 HB2 ASP 8 10.331 15.553 18.416 72 HB3 ASP 8 HB3 ASP 8 9.145 16.654 19.098 73 H ASP 9 H ASP 9 13.333 16.538 18.314 74 HA ASP 9 HA ASP 9 13.794 18.076 15.870 75 HB2 ASP 9 HB2 ASP 9 15.614 16.476 17.673 76 HB3 ASP 9 HB3 ASP 9 16.135 17.100 16.115 77 H PHE 10 H PHE 10 12.029 15.676 16.277 78 HA PHE 10 HA PHE 10 13.318 13.578 14.765 79 HB2 PHE 10 HB2 PHE 10 10.548 13.788 15.953 80 HB3 PHE 10 HB3 PHE 10 11.155 12.374 15.102 81 HD1 PHE 10 HD1 PHE 10 12.064 14.601 17.947 82 HD2 PHE 10 HD2 PHE 10 12.065 10.670 16.346 83 HE1 PHE 10 HE1 PHE 10 12.970 13.746 20.071 84 HE2 PHE 10 HE2 PHE 10 12.978 9.803 18.458 85 HZ PHE 10 HZ PHE 10 13.431 11.343 20.326 86 H ARG 11 H ARG 11 10.956 16.116 14.309 87 HA ARG 11 HA ARG 11 9.918 15.147 11.842 88 HB2 ARG 11 HB2 ARG 11 8.813 16.823 13.390 89 HB3 ARG 11 HB3 ARG 11 9.962 18.012 12.799 90 HG2 ARG 11 HG2 ARG 11 9.083 17.764 10.544 91 HG3 ARG 11 HG3 ARG 11 7.957 16.531 11.111 92 HD2 ARG 11 HD2 ARG 11 7.007 18.229 12.676 93 HD3 ARG 11 HD3 ARG 11 8.028 19.434 11.908 94 HE ARG 11 HE ARG 11 6.008 17.903 10.404 95 HH11 ARG 11 HH11 ARG 11 7.518 20.954 11.273 96 HH12 ARG 11 HH12 ARG 11 6.482 21.909 10.278 97 HH21 ARG 11 HH21 ARG 11 4.596 19.186 9.063 98 HH22 ARG 11 HH22 ARG 11 4.831 20.904 9.015 99 H ASN 12 H ASN 12 11.608 14.656 10.470 100 HA ASN 12 HA ASN 12 13.168 16.968 9.513 101 HB2 ASN 12 HB2 ASN 12 14.499 15.276 10.842 102 HB3 ASN 12 HB3 ASN 12 14.156 14.108 9.571 103 HD21 ASN 12 HD21 ASN 12 16.268 13.854 8.965 104 HD22 ASN 12 HD22 ASN 12 17.168 15.091 8.160 105 H GLU 13 H GLU 13 10.690 15.154 8.709 106 HA GLU 13 HA GLU 13 11.502 14.704 5.923 107 HB2 GLU 13 HB2 GLU 13 10.570 12.752 7.122 108 HB3 GLU 13 HB3 GLU 13 9.098 13.655 7.436 109 HG2 GLU 13 HG2 GLU 13 8.653 13.764 5.033 110 HG3 GLU 13 HG3 GLU 13 10.132 12.855 4.722 111 H PHE 14 H PHE 14 10.249 15.578 4.226 112 HA PHE 14 HA PHE 14 9.076 18.100 4.760 113 HB2 PHE 14 HB2 PHE 14 10.257 17.121 2.598 114 HB3 PHE 14 HB3 PHE 14 8.610 16.678 2.169 115 HD1 PHE 14 HD1 PHE 14 10.929 19.441 2.755 116 HD2 PHE 14 HD2 PHE 14 6.980 18.370 1.587 117 HE1 PHE 14 HE1 PHE 14 10.571 21.719 1.899 118 HE2 PHE 14 HE2 PHE 14 6.617 20.651 0.729 119 HZ PHE 14 HZ PHE 14 8.411 22.323 0.883 120 H ASP 15 H ASP 15 7.455 17.600 6.235 121 HA ASP 15 HA ASP 15 5.317 15.806 5.697 122 HB2 ASP 15 HB2 ASP 15 5.821 16.122 7.962 123 HB3 ASP 15 HB3 ASP 15 5.849 17.871 7.812 124 H HIS 16 H HIS 16 5.697 19.297 5.284 125 HA HIS 16 HA HIS 16 2.877 19.525 4.694 126 HB2 HIS 16 HB2 HIS 16 4.045 21.326 5.968 127 HB3 HIS 16 HB3 HIS 16 4.942 21.723 4.507 128 HD1 HIS 16 HD1 HIS 16 1.654 22.202 6.159 129 HD2 HIS 16 HD2 HIS 16 3.344 22.906 2.426 130 HE1 HIS 16 HE1 HIS 16 0.066 23.749 4.980 131 HE2 HIS 16 HE2 HIS 16 1.160 24.241 2.762 132 H LEU 17 H LEU 17 2.884 18.101 2.913 133 HA LEU 17 HA LEU 17 2.459 19.396 0.553 134 HB2 LEU 17 HB2 LEU 17 4.958 19.547 0.426 135 HB3 LEU 17 HB3 LEU 17 5.023 17.799 0.391 136 HG LEU 17 HG LEU 17 3.909 17.736 -1.756 137 HD11 LEU 17 HD11 LEU 17 3.327 19.833 -2.936 138 HD12 LEU 17 HD12 LEU 17 3.662 20.728 -1.453 139 HD13 LEU 17 HD13 LEU 17 2.346 19.555 -1.498 140 HD21 LEU 17 HD21 LEU 17 6.339 18.122 -1.739 141 HD22 LEU 17 HD22 LEU 17 6.048 19.860 -1.768 142 HD23 LEU 17 HD23 LEU 17 5.556 18.862 -3.134 143 H LEU 18 H LEU 18 0.680 18.275 0.428 144 HA LEU 18 HA LEU 18 0.141 15.717 1.239 145 HB2 LEU 18 HB2 LEU 18 -1.143 17.164 -1.066 146 HB3 LEU 18 HB3 LEU 18 -1.838 15.819 -0.179 147 HG LEU 18 HG LEU 18 -1.201 18.516 1.022 148 HD11 LEU 18 HD11 LEU 18 -3.014 18.580 -0.661 149 HD12 LEU 18 HD12 LEU 18 -3.559 18.945 0.978 150 HD13 LEU 18 HD13 LEU 18 -3.866 17.355 0.280 151 HD21 LEU 18 HD21 LEU 18 -2.540 17.706 2.910 152 HD22 LEU 18 HD22 LEU 18 -1.116 16.699 2.645 153 HD23 LEU 18 HD23 LEU 18 -2.703 16.140 2.118 154 H ILE 19 H ILE 19 1.040 16.692 -2.069 155 HA ILE 19 HA ILE 19 0.880 14.097 -3.131 156 HB ILE 19 HB ILE 19 2.335 16.556 -4.095 157 HG12 ILE 19 HG12 ILE 19 -0.105 16.588 -4.196 158 HG13 ILE 19 HG13 ILE 19 0.584 16.534 -5.816 159 HG21 ILE 19 HG21 ILE 19 2.744 15.399 -6.214 160 HG22 ILE 19 HG22 ILE 19 2.135 13.901 -5.513 161 HG23 ILE 19 HG23 ILE 19 3.611 14.634 -4.882 162 HD11 ILE 19 HD11 ILE 19 -0.607 14.210 -4.306 163 HD12 ILE 19 HD12 ILE 19 0.132 14.116 -5.903 164 HD13 ILE 19 HD13 ILE 19 -1.332 15.065 -5.664 165 H GLU 20 H GLU 20 3.514 15.842 -1.593 166 HA GLU 20 HA GLU 20 5.627 14.085 -2.178 167 HB2 GLU 20 HB2 GLU 20 5.918 16.336 -1.236 168 HB3 GLU 20 HB3 GLU 20 5.169 15.808 0.259 169 HG2 GLU 20 HG2 GLU 20 7.517 15.933 0.538 170 HG3 GLU 20 HG3 GLU 20 7.014 14.247 0.609 171 H GLN 21 H GLN 21 3.370 14.236 0.545 172 HA GLN 21 HA GLN 21 4.347 12.012 1.963 173 HB2 GLN 21 HB2 GLN 21 1.524 13.101 1.884 174 HB3 GLN 21 HB3 GLN 21 2.183 12.035 3.120 175 HG2 GLN 21 HG2 GLN 21 3.740 13.758 3.813 176 HG3 GLN 21 HG3 GLN 21 3.168 14.820 2.529 177 HE21 GLN 21 HE21 GLN 21 2.478 13.434 5.629 178 HE22 GLN 21 HE22 GLN 21 1.124 14.443 6.000 179 H ALA 22 H ALA 22 2.185 12.301 -0.773 180 HA ALA 22 HA ALA 22 1.235 9.599 -0.664 181 HB1 ALA 22 HB1 ALA 22 -0.083 11.397 -1.711 182 HB2 ALA 22 HB2 ALA 22 0.245 10.084 -2.839 183 HB3 ALA 22 HB3 ALA 22 1.166 11.585 -2.940 184 H ASN 23 H ASN 23 3.700 11.389 -2.343 185 HA ASN 23 HA ASN 23 4.552 9.332 -4.104 186 HB2 ASN 23 HB2 ASN 23 5.932 11.826 -3.112 187 HB3 ASN 23 HB3 ASN 23 6.719 10.696 -4.205 188 HD21 ASN 23 HD21 ASN 23 4.186 10.090 -5.596 189 HD22 ASN 23 HD22 ASN 23 3.864 11.457 -6.596 190 H HIS 24 H HIS 24 5.514 10.300 -0.867 191 HA HIS 24 HA HIS 24 7.661 8.497 -0.615 192 HB2 HIS 24 HB2 HIS 24 7.317 10.354 0.970 193 HB3 HIS 24 HB3 HIS 24 5.844 9.593 1.552 194 HD1 HIS 24 HD1 HIS 24 6.149 8.299 3.639 195 HD2 HIS 24 HD2 HIS 24 9.663 8.524 1.440 196 HE1 HIS 24 HE1 HIS 24 7.897 7.139 5.033 197 HE2 HIS 24 HE2 HIS 24 10.033 7.357 3.710 198 H ALA 25 H ALA 25 4.187 8.167 0.347 199 HA ALA 25 HA ALA 25 4.349 5.600 1.320 200 HB1 ALA 25 HB1 ALA 25 2.018 6.910 -0.070 201 HB2 ALA 25 HB2 ALA 25 2.446 7.114 1.631 202 HB3 ALA 25 HB3 ALA 25 1.948 5.532 1.029 203 H ILE 26 H ILE 26 3.504 6.634 -2.018 204 HA ILE 26 HA ILE 26 3.106 3.985 -2.934 205 HB ILE 26 HB ILE 26 3.223 4.862 -5.224 206 HG12 ILE 26 HG12 ILE 26 3.936 7.501 -3.936 207 HG13 ILE 26 HG13 ILE 26 5.050 6.497 -4.855 208 HG21 ILE 26 HG21 ILE 26 1.640 6.591 -3.332 209 HG22 ILE 26 HG22 ILE 26 1.141 5.042 -4.009 210 HG23 ILE 26 HG23 ILE 26 1.349 6.438 -5.065 211 HD11 ILE 26 HD11 ILE 26 4.238 8.325 -6.212 212 HD12 ILE 26 HD12 ILE 26 2.570 7.835 -5.916 213 HD13 ILE 26 HD13 ILE 26 3.645 6.790 -6.845 214 H GLU 27 H GLU 27 5.963 5.971 -2.686 215 HA GLU 27 HA GLU 27 7.725 4.428 -4.249 216 HB2 GLU 27 HB2 GLU 27 8.277 6.667 -3.413 217 HB3 GLU 27 HB3 GLU 27 8.234 6.079 -1.763 218 HG2 GLU 27 HG2 GLU 27 10.168 4.659 -2.229 219 HG3 GLU 27 HG3 GLU 27 10.211 5.279 -3.881 220 H LYS 28 H LYS 28 7.048 4.400 -0.760 221 HA LYS 28 HA LYS 28 8.632 2.184 -0.086 222 HB2 LYS 28 HB2 LYS 28 7.736 3.778 1.566 223 HB3 LYS 28 HB3 LYS 28 6.107 3.215 1.228 224 HG2 LYS 28 HG2 LYS 28 6.816 0.950 2.014 225 HG3 LYS 28 HG3 LYS 28 8.338 1.677 2.533 226 HD2 LYS 28 HD2 LYS 28 7.104 3.206 3.997 227 HD3 LYS 28 HD3 LYS 28 5.583 2.483 3.473 228 HE2 LYS 28 HE2 LYS 28 6.177 1.535 5.594 229 HE3 LYS 28 HE3 LYS 28 6.389 0.298 4.356 230 HZ1 LYS 28 HZ1 LYS 28 8.529 1.919 5.617 231 HZ2 LYS 28 HZ2 LYS 28 8.777 0.814 4.361 232 HZ3 LYS 28 HZ3 LYS 28 8.238 0.275 5.862 233 H GLY 29 H GLY 29 5.178 2.465 -0.933 234 HA2 GLY 29 HA2 GLY 29 4.455 -0.199 -0.566 235 HA3 GLY 29 HA3 GLY 29 3.657 0.938 -1.640 236 H GLU 30 H GLU 30 5.724 1.447 -3.420 237 HA GLU 30 HA GLU 30 5.454 -0.549 -5.311 238 HB2 GLU 30 HB2 GLU 30 6.141 1.842 -5.647 239 HB3 GLU 30 HB3 GLU 30 7.737 1.412 -5.058 240 HG2 GLU 30 HG2 GLU 30 7.849 1.457 -7.412 241 HG3 GLU 30 HG3 GLU 30 7.879 -0.240 -6.934 242 H HIS 31 H HIS 31 8.303 0.192 -3.288 243 HA HIS 31 HA HIS 31 9.872 -1.919 -4.299 244 HB2 HIS 31 HB2 HIS 31 10.663 0.154 -3.049 245 HB3 HIS 31 HB3 HIS 31 10.221 -0.690 -1.570 246 HD1 HIS 31 HD1 HIS 31 12.248 -1.647 -0.519 247 HD2 HIS 31 HD2 HIS 31 12.448 -1.813 -4.663 248 HE1 HIS 31 HE1 HIS 31 14.454 -2.730 -1.048 249 HE2 HIS 31 HE2 HIS 31 14.600 -2.714 -3.560 250 H GLN 32 H GLN 32 7.788 -1.745 -1.432 251 HA GLN 32 HA GLN 32 8.550 -4.306 -0.437 252 HB2 GLN 32 HB2 GLN 32 6.783 -4.048 1.180 253 HB3 GLN 32 HB3 GLN 32 7.575 -2.495 0.980 254 HG2 GLN 32 HG2 GLN 32 5.374 -1.879 1.028 255 HG3 GLN 32 HG3 GLN 32 5.632 -2.051 -0.707 256 HE21 GLN 32 HE21 GLN 32 3.538 -2.509 -1.210 257 HE22 GLN 32 HE22 GLN 32 2.741 -3.968 -0.734 258 H LEU 33 H LEU 33 6.076 -3.228 -2.699 259 HA LEU 33 HA LEU 33 4.614 -5.657 -2.721 260 HB2 LEU 33 HB2 LEU 33 3.618 -3.610 -3.569 261 HB3 LEU 33 HB3 LEU 33 4.862 -3.456 -4.785 262 HG LEU 33 HG LEU 33 2.450 -4.291 -5.416 263 HD11 LEU 33 HD11 LEU 33 4.940 -5.587 -6.494 264 HD12 LEU 33 HD12 LEU 33 4.264 -4.037 -6.992 265 HD13 LEU 33 HD13 LEU 33 3.375 -5.529 -7.305 266 HD21 LEU 33 HD21 LEU 33 3.758 -6.915 -4.653 267 HD22 LEU 33 HD22 LEU 33 2.206 -6.710 -5.461 268 HD23 LEU 33 HD23 LEU 33 2.412 -6.160 -3.797 269 H LEU 34 H LEU 34 7.305 -4.414 -4.700 270 HA LEU 34 HA LEU 34 7.481 -6.632 -6.416 271 HB2 LEU 34 HB2 LEU 34 9.720 -4.843 -5.467 272 HB3 LEU 34 HB3 LEU 34 9.708 -5.818 -6.922 273 HG LEU 34 HG LEU 34 7.996 -3.394 -6.390 274 HD11 LEU 34 HD11 LEU 34 10.289 -3.830 -8.291 275 HD12 LEU 34 HD12 LEU 34 10.332 -2.861 -6.818 276 HD13 LEU 34 HD13 LEU 34 9.310 -2.369 -8.168 277 HD21 LEU 34 HD21 LEU 34 7.278 -3.645 -8.721 278 HD22 LEU 34 HD22 LEU 34 6.789 -5.019 -7.731 279 HD23 LEU 34 HD23 LEU 34 8.168 -5.164 -8.821 280 H TYR 35 H TYR 35 8.600 -5.990 -3.180 281 HA TYR 35 HA TYR 35 10.480 -8.084 -2.989 282 HB2 TYR 35 HB2 TYR 35 10.577 -6.319 -1.371 283 HB3 TYR 35 HB3 TYR 35 8.905 -6.587 -0.893 284 HD1 TYR 35 HD1 TYR 35 12.230 -8.277 -0.954 285 HD2 TYR 35 HD2 TYR 35 8.436 -7.941 0.939 286 HE1 TYR 35 HE1 TYR 35 12.986 -9.795 0.822 287 HE2 TYR 35 HE2 TYR 35 9.177 -9.457 2.717 288 HH TYR 35 HH TYR 35 12.479 -10.371 3.080 289 H LEU 36 H LEU 36 7.026 -7.849 -1.956 290 HA LEU 36 HA LEU 36 6.831 -10.462 -1.014 291 HB2 LEU 36 HB2 LEU 36 4.698 -8.644 -2.126 292 HB3 LEU 36 HB3 LEU 36 4.405 -10.103 -1.204 293 HG LEU 36 HG LEU 36 5.781 -7.626 -0.160 294 HD11 LEU 36 HD11 LEU 36 3.413 -7.260 -0.553 295 HD12 LEU 36 HD12 LEU 36 3.754 -7.336 1.176 296 HD13 LEU 36 HD13 LEU 36 3.019 -8.716 0.358 297 HD21 LEU 36 HD21 LEU 36 4.953 -10.172 1.237 298 HD22 LEU 36 HD22 LEU 36 5.580 -8.727 2.027 299 HD23 LEU 36 HD23 LEU 36 6.607 -9.644 0.926 300 H GLN 37 H GLN 37 6.473 -9.097 -4.240 301 HA GLN 37 HA GLN 37 5.222 -11.252 -5.495 302 HB2 GLN 37 HB2 GLN 37 7.268 -9.332 -6.610 303 HB3 GLN 37 HB3 GLN 37 6.358 -10.472 -7.589 304 HG2 GLN 37 HG2 GLN 37 4.269 -9.376 -6.824 305 HG3 GLN 37 HG3 GLN 37 5.254 -8.179 -5.983 306 HE21 GLN 37 HE21 GLN 37 3.350 -7.768 -8.133 307 HE22 GLN 37 HE22 GLN 37 4.242 -7.048 -9.421 308 H HIS 38 H HIS 38 8.622 -10.668 -4.756 309 HA HIS 38 HA HIS 38 9.647 -12.950 -6.087 310 HB2 HIS 38 HB2 HIS 38 10.741 -11.121 -3.975 311 HB3 HIS 38 HB3 HIS 38 11.609 -12.587 -4.424 312 HD1 HIS 38 HD1 HIS 38 12.991 -12.499 -6.501 313 HD2 HIS 38 HD2 HIS 38 10.406 -9.271 -6.177 314 HE1 HIS 38 HE1 HIS 38 13.559 -10.993 -8.410 315 HE2 HIS 38 HE2 HIS 38 11.825 -9.174 -8.326 316 H GLN 39 H GLN 39 8.419 -12.381 -2.807 317 HA GLN 39 HA GLN 39 9.201 -14.875 -1.768 318 HB2 GLN 39 HB2 GLN 39 7.092 -12.881 -0.960 319 HB3 GLN 39 HB3 GLN 39 7.358 -14.377 -0.079 320 HG2 GLN 39 HG2 GLN 39 9.423 -12.233 -0.526 321 HG3 GLN 39 HG3 GLN 39 8.487 -12.458 0.952 322 HE21 GLN 39 HE21 GLN 39 11.079 -13.660 -1.011 323 HE22 GLN 39 HE22 GLN 39 11.699 -14.790 0.140 324 H LEU 40 H LEU 40 6.198 -13.686 -3.262 325 HA LEU 40 HA LEU 40 4.620 -15.904 -3.153 326 HB2 LEU 40 HB2 LEU 40 3.904 -13.751 -4.072 327 HB3 LEU 40 HB3 LEU 40 4.971 -13.951 -5.440 328 HG LEU 40 HG LEU 40 2.454 -14.311 -5.800 329 HD11 LEU 40 HD11 LEU 40 4.127 -14.913 -7.464 330 HD12 LEU 40 HD12 LEU 40 2.802 -16.075 -7.435 331 HD13 LEU 40 HD13 LEU 40 4.346 -16.479 -6.686 332 HD21 LEU 40 HD21 LEU 40 3.110 -16.943 -4.480 333 HD22 LEU 40 HD22 LEU 40 1.617 -16.564 -5.338 334 HD23 LEU 40 HD23 LEU 40 2.023 -15.704 -3.855 335 H ASP 41 H ASP 41 7.161 -15.217 -5.607 336 HA ASP 41 HA ASP 41 6.835 -17.516 -7.111 337 HB2 ASP 41 HB2 ASP 41 8.217 -15.693 -7.882 338 HB3 ASP 41 HB3 ASP 41 9.312 -15.894 -6.519 339 H GLU 42 H GLU 42 8.804 -16.953 -4.231 340 HA GLU 42 HA GLU 42 10.027 -19.521 -4.189 341 HB2 GLU 42 HB2 GLU 42 10.933 -17.605 -2.942 342 HB3 GLU 42 HB3 GLU 42 9.510 -17.607 -1.910 343 HG2 GLU 42 HG2 GLU 42 10.110 -19.861 -1.135 344 HG3 GLU 42 HG3 GLU 42 11.572 -19.781 -2.118 345 H LEU 43 H LEU 43 7.239 -18.170 -2.666 346 HA LEU 43 HA LEU 43 6.359 -20.325 -1.117 347 HB2 LEU 43 HB2 LEU 43 5.308 -18.112 -1.027 348 HB3 LEU 43 HB3 LEU 43 4.610 -18.375 -2.615 349 HG LEU 43 HG LEU 43 3.355 -20.324 -1.646 350 HD11 LEU 43 HD11 LEU 43 4.325 -19.193 0.956 351 HD12 LEU 43 HD12 LEU 43 4.767 -20.755 0.266 352 HD13 LEU 43 HD13 LEU 43 3.102 -20.446 0.760 353 HD21 LEU 43 HD21 LEU 43 1.680 -18.932 -0.540 354 HD22 LEU 43 HD22 LEU 43 2.285 -18.182 -2.017 355 HD23 LEU 43 HD23 LEU 43 2.850 -17.616 -0.444 356 H ASN 44 H ASN 44 5.870 -19.731 -4.559 357 HA ASN 44 HA ASN 44 4.114 -21.839 -5.083 358 HB2 ASN 44 HB2 ASN 44 6.017 -20.226 -6.698 359 HB3 ASN 44 HB3 ASN 44 5.418 -21.723 -7.402 360 HD21 ASN 44 HD21 ASN 44 4.533 -18.581 -6.183 361 HD22 ASN 44 HD22 ASN 44 2.979 -18.526 -6.942 362 H GLU 45 H GLU 45 7.642 -21.799 -4.829 363 HA GLU 45 HA GLU 45 7.903 -24.524 -5.684 364 HB2 GLU 45 HB2 GLU 45 9.720 -22.362 -4.780 365 HB3 GLU 45 HB3 GLU 45 10.275 -24.013 -4.573 366 HG2 GLU 45 HG2 GLU 45 11.088 -23.056 -6.638 367 HG3 GLU 45 HG3 GLU 45 10.015 -24.417 -6.946 368 H ASN 46 H ASN 46 8.091 -22.800 -2.537 369 HA ASN 46 HA ASN 46 8.872 -25.205 -1.169 370 HB2 ASN 46 HB2 ASN 46 9.674 -22.892 -0.561 371 HB3 ASN 46 HB3 ASN 46 8.047 -22.538 0.001 372 HD21 ASN 46 HD21 ASN 46 9.019 -22.110 2.059 373 HD22 ASN 46 HD22 ASN 46 9.409 -23.418 3.121 374 H LYS 47 H LYS 47 5.994 -23.368 -1.705 375 HA LYS 47 HA LYS 47 3.725 -23.722 -1.240 376 HB2 LYS 47 HB2 LYS 47 4.626 -26.048 -2.212 377 HB3 LYS 47 HB3 LYS 47 4.252 -26.575 -0.578 378 HG2 LYS 47 HG2 LYS 47 2.359 -27.092 -1.863 379 HG3 LYS 47 HG3 LYS 47 1.938 -25.668 -0.916 380 HD2 LYS 47 HD2 LYS 47 1.099 -25.160 -3.025 381 HD3 LYS 47 HD3 LYS 47 2.653 -24.336 -3.037 382 HE2 LYS 47 HE2 LYS 47 2.202 -27.096 -4.173 383 HE3 LYS 47 HE3 LYS 47 2.057 -25.627 -5.127 384 HZ1 LYS 47 HZ1 LYS 47 4.205 -26.648 -5.408 385 HZ2 LYS 47 HZ2 LYS 47 4.514 -26.592 -3.760 386 HZ3 LYS 47 HZ3 LYS 47 4.399 -25.152 -4.651 387 H SER 48 H SER 48 5.654 -23.187 0.927 388 HA SER 48 HA SER 48 4.956 -24.676 3.263 389 HB2 SER 48 HB2 SER 48 7.106 -23.607 3.179 390 HB3 SER 48 HB3 SER 48 6.365 -22.021 2.971 391 HG SER 48 HG SER 48 6.951 -23.312 5.226 392 H LYS 49 H LYS 49 3.175 -24.544 4.445 393 HA LYS 49 HA LYS 49 1.171 -22.632 4.095 394 HB2 LYS 49 HB2 LYS 49 0.203 -23.481 6.228 395 HB3 LYS 49 HB3 LYS 49 0.620 -24.771 5.119 396 HG2 LYS 49 HG2 LYS 49 2.647 -24.021 7.135 397 HG3 LYS 49 HG3 LYS 49 1.196 -24.838 7.711 398 HD2 LYS 49 HD2 LYS 49 1.600 -26.686 6.152 399 HD3 LYS 49 HD3 LYS 49 3.027 -25.853 5.529 400 HE2 LYS 49 HE2 LYS 49 4.144 -26.035 7.620 401 HE3 LYS 49 HE3 LYS 49 2.688 -26.641 8.411 402 HZ1 LYS 49 HZ1 LYS 49 4.223 -28.049 6.284 403 HZ2 LYS 49 HZ2 LYS 49 2.823 -28.625 7.041 404 HZ3 LYS 49 HZ3 LYS 49 4.235 -28.420 7.936 405 H GLU 50 H GLU 50 3.809 -22.787 6.390 406 HA GLU 50 HA GLU 50 3.098 -20.528 7.912 407 HB2 GLU 50 HB2 GLU 50 5.836 -21.696 7.415 408 HB3 GLU 50 HB3 GLU 50 5.493 -20.452 8.608 409 HG2 GLU 50 HG2 GLU 50 4.370 -23.242 8.575 410 HG3 GLU 50 HG3 GLU 50 5.632 -22.635 9.643 411 H LEU 51 H LEU 51 5.189 -20.816 5.070 412 HA LEU 51 HA LEU 51 5.926 -18.101 5.006 413 HB2 LEU 51 HB2 LEU 51 7.065 -19.856 3.700 414 HB3 LEU 51 HB3 LEU 51 5.647 -20.009 2.683 415 HG LEU 51 HG LEU 51 5.968 -17.667 1.932 416 HD11 LEU 51 HD11 LEU 51 8.117 -16.567 2.384 417 HD12 LEU 51 HD12 LEU 51 8.516 -17.847 3.530 418 HD13 LEU 51 HD13 LEU 51 7.148 -16.777 3.841 419 HD21 LEU 51 HD21 LEU 51 6.834 -19.519 0.617 420 HD22 LEU 51 HD22 LEU 51 8.338 -19.483 1.533 421 HD23 LEU 51 HD23 LEU 51 7.899 -18.119 0.506 422 H GLN 52 H GLN 52 3.224 -19.845 3.529 423 HA GLN 52 HA GLN 52 2.115 -17.771 2.028 424 HB2 GLN 52 HB2 GLN 52 1.270 -19.982 1.747 425 HB3 GLN 52 HB3 GLN 52 0.837 -20.105 3.446 426 HG2 GLN 52 HG2 GLN 52 -0.828 -18.290 3.071 427 HG3 GLN 52 HG3 GLN 52 -0.465 -18.397 1.349 428 HE21 GLN 52 HE21 GLN 52 -1.792 -20.055 4.101 429 HE22 GLN 52 HE22 GLN 52 -2.694 -21.223 3.196 430 H GLU 53 H GLU 53 1.495 -18.695 5.373 431 HA GLU 53 HA GLU 53 -0.474 -16.755 5.882 432 HB2 GLU 53 HB2 GLU 53 1.038 -18.725 7.400 433 HB3 GLU 53 HB3 GLU 53 0.660 -17.283 8.333 434 HG2 GLU 53 HG2 GLU 53 -0.998 -19.208 8.419 435 HG3 GLU 53 HG3 GLU 53 -1.636 -17.596 8.121 436 H LYS 54 H LYS 54 3.040 -16.711 6.402 437 HA LYS 54 HA LYS 54 3.149 -14.193 7.674 438 HB2 LYS 54 HB2 LYS 54 5.187 -15.633 5.966 439 HB3 LYS 54 HB3 LYS 54 5.535 -14.163 6.862 440 HG2 LYS 54 HG2 LYS 54 4.422 -16.477 8.360 441 HG3 LYS 54 HG3 LYS 54 6.095 -16.567 7.817 442 HD2 LYS 54 HD2 LYS 54 6.043 -15.685 10.065 443 HD3 LYS 54 HD3 LYS 54 6.538 -14.407 8.962 444 HE2 LYS 54 HE2 LYS 54 4.306 -13.457 9.019 445 HE3 LYS 54 HE3 LYS 54 3.741 -14.783 10.038 446 HZ1 LYS 54 HZ1 LYS 54 5.298 -14.043 11.748 447 HZ2 LYS 54 HZ2 LYS 54 4.197 -12.829 11.345 448 HZ3 LYS 54 HZ3 LYS 54 5.782 -12.754 10.765 449 H ILE 55 H ILE 55 3.355 -15.147 4.339 450 HA ILE 55 HA ILE 55 3.849 -12.574 3.253 451 HB ILE 55 HB ILE 55 2.480 -14.918 1.912 452 HG12 ILE 55 HG12 ILE 55 5.318 -13.884 1.702 453 HG13 ILE 55 HG13 ILE 55 4.825 -15.296 2.629 454 HG21 ILE 55 HG21 ILE 55 3.580 -12.382 0.692 455 HG22 ILE 55 HG22 ILE 55 1.876 -12.819 0.812 456 HG23 ILE 55 HG23 ILE 55 2.963 -13.772 -0.202 457 HD11 ILE 55 HD11 ILE 55 4.577 -14.980 -0.355 458 HD12 ILE 55 HD12 ILE 55 4.117 -16.401 0.583 459 HD13 ILE 55 HD13 ILE 55 5.809 -15.917 0.491 460 H ILE 56 H ILE 56 0.780 -14.327 3.693 461 HA ILE 56 HA ILE 56 -0.889 -12.283 2.706 462 HB ILE 56 HB ILE 56 -1.507 -14.474 4.701 463 HG12 ILE 56 HG12 ILE 56 -2.038 -14.259 1.728 464 HG13 ILE 56 HG13 ILE 56 -0.797 -15.255 2.480 465 HG21 ILE 56 HG21 ILE 56 -3.415 -12.683 3.195 466 HG22 ILE 56 HG22 ILE 56 -3.131 -12.671 4.935 467 HG23 ILE 56 HG23 ILE 56 -3.875 -14.077 4.172 468 HD11 ILE 56 HD11 ILE 56 -2.524 -16.578 3.580 469 HD12 ILE 56 HD12 ILE 56 -2.720 -16.578 1.828 470 HD13 ILE 56 HD13 ILE 56 -3.769 -15.575 2.832 471 H ARG 57 H ARG 57 0.355 -12.906 5.974 472 HA ARG 57 HA ARG 57 -1.319 -10.973 7.210 473 HB2 ARG 57 HB2 ARG 57 0.930 -12.678 8.071 474 HB3 ARG 57 HB3 ARG 57 0.712 -11.191 8.983 475 HG2 ARG 57 HG2 ARG 57 -0.486 -12.973 10.065 476 HG3 ARG 57 HG3 ARG 57 -1.634 -11.817 9.397 477 HD2 ARG 57 HD2 ARG 57 -1.791 -13.337 7.382 478 HD3 ARG 57 HD3 ARG 57 -0.895 -14.527 8.323 479 HE ARG 57 HE ARG 57 -3.611 -13.554 8.866 480 HH11 ARG 57 HH11 ARG 57 -0.999 -15.772 9.643 481 HH12 ARG 57 HH12 ARG 57 -2.021 -16.892 10.476 482 HH21 ARG 57 HH21 ARG 57 -4.971 -15.032 9.976 483 HH22 ARG 57 HH22 ARG 57 -4.294 -16.452 10.690 484 H GLU 58 H GLU 58 2.022 -10.828 5.991 485 HA GLU 58 HA GLU 58 2.312 -8.126 6.854 486 HB2 GLU 58 HB2 GLU 58 3.950 -9.976 5.200 487 HB3 GLU 58 HB3 GLU 58 4.237 -8.251 5.020 488 HG2 GLU 58 HG2 GLU 58 5.757 -9.196 6.644 489 HG3 GLU 58 HG3 GLU 58 4.651 -8.066 7.420 490 H LEU 59 H LEU 59 1.221 -9.680 3.910 491 HA LEU 59 HA LEU 59 1.231 -7.430 2.234 492 HB2 LEU 59 HB2 LEU 59 0.879 -9.943 1.725 493 HB3 LEU 59 HB3 LEU 59 -0.793 -9.664 2.153 494 HG LEU 59 HG LEU 59 0.514 -8.043 -0.007 495 HD11 LEU 59 HD11 LEU 59 -0.287 -9.687 -1.630 496 HD12 LEU 59 HD12 LEU 59 -0.692 -10.775 -0.300 497 HD13 LEU 59 HD13 LEU 59 0.986 -10.322 -0.589 498 HD21 LEU 59 HD21 LEU 59 -2.314 -8.903 0.584 499 HD22 LEU 59 HD22 LEU 59 -1.817 -8.022 -0.859 500 HD23 LEU 59 HD23 LEU 59 -1.648 -7.279 0.732 501 H ASP 60 H ASP 60 -1.188 -8.797 4.412 502 HA ASP 60 HA ASP 60 -3.290 -7.001 3.941 503 HB2 ASP 60 HB2 ASP 60 -3.645 -9.105 5.090 504 HB3 ASP 60 HB3 ASP 60 -2.602 -8.600 6.414 505 H VAL 61 H VAL 61 -0.736 -6.905 6.434 506 HA VAL 61 HA VAL 61 -1.776 -4.632 7.753 507 HB VAL 61 HB VAL 61 -0.123 -6.163 8.812 508 HG11 VAL 61 HG11 VAL 61 1.924 -4.741 7.128 509 HG12 VAL 61 HG12 VAL 61 1.398 -6.408 6.914 510 HG13 VAL 61 HG13 VAL 61 2.244 -5.934 8.390 511 HG21 VAL 61 HG21 VAL 61 -0.558 -3.999 9.803 512 HG22 VAL 61 HG22 VAL 61 0.673 -3.258 8.781 513 HG23 VAL 61 HG23 VAL 61 1.139 -4.435 10.008 514 H VAL 62 H VAL 62 0.457 -4.935 5.062 515 HA VAL 62 HA VAL 62 1.104 -2.153 4.967 516 HB VAL 62 HB VAL 62 1.355 -4.252 2.795 517 HG11 VAL 62 HG11 VAL 62 2.930 -2.692 1.746 518 HG12 VAL 62 HG12 VAL 62 2.568 -1.498 2.992 519 HG13 VAL 62 HG13 VAL 62 1.311 -2.002 1.862 520 HG21 VAL 62 HG21 VAL 62 3.388 -3.168 4.744 521 HG22 VAL 62 HG22 VAL 62 3.728 -4.292 3.429 522 HG23 VAL 62 HG23 VAL 62 2.687 -4.785 4.765 523 H CYS 63 H CYS 63 -1.291 -4.209 3.426 524 HA CYS 63 HA CYS 63 -2.254 -2.270 1.602 525 HB2 CYS 63 HB2 CYS 63 -3.643 -4.652 2.832 526 HB3 CYS 63 HB3 CYS 63 -4.372 -3.637 1.593 527 HG CYS 63 HG CYS 63 -1.637 -5.638 1.295 528 H ALA 64 H ALA 64 -3.088 -3.032 4.938 529 HA ALA 64 HA ALA 64 -5.354 -1.370 5.123 530 HB1 ALA 64 HB1 ALA 64 -3.473 -2.330 7.262 531 HB2 ALA 64 HB2 ALA 64 -4.887 -3.199 6.665 532 HB3 ALA 64 HB3 ALA 64 -5.088 -1.670 7.527 533 H MET 65 H MET 65 -1.926 -0.857 5.963 534 HA MET 65 HA MET 65 -2.396 1.755 6.970 535 HB2 MET 65 HB2 MET 65 -0.035 2.018 7.120 536 HB3 MET 65 HB3 MET 65 -0.375 0.332 7.489 537 HG2 MET 65 HG2 MET 65 0.302 -0.316 5.267 538 HG3 MET 65 HG3 MET 65 0.573 1.369 4.835 539 HE1 MET 65 HE1 MET 65 1.459 -0.589 8.162 540 HE2 MET 65 HE2 MET 65 3.109 -1.092 7.779 541 HE3 MET 65 HE3 MET 65 1.752 -1.695 6.825 542 H ILE 66 H ILE 66 -1.593 0.481 3.801 543 HA ILE 66 HA ILE 66 -1.133 3.002 2.587 544 HB ILE 66 HB ILE 66 -1.390 0.214 1.634 545 HG12 ILE 66 HG12 ILE 66 0.535 0.866 0.250 546 HG13 ILE 66 HG13 ILE 66 0.309 2.544 0.725 547 HG21 ILE 66 HG21 ILE 66 -2.035 2.482 -0.251 548 HG22 ILE 66 HG22 ILE 66 -3.137 1.201 0.259 549 HG23 ILE 66 HG23 ILE 66 -1.723 0.809 -0.720 550 HD11 ILE 66 HD11 ILE 66 2.156 1.413 1.910 551 HD12 ILE 66 HD12 ILE 66 0.984 0.305 2.627 552 HD13 ILE 66 HD13 ILE 66 0.910 2.027 2.992 553 H GLU 67 H GLU 67 -4.019 0.931 2.820 554 HA GLU 67 HA GLU 67 -5.640 2.610 1.225 555 HB2 GLU 67 HB2 GLU 67 -6.356 0.504 3.262 556 HB3 GLU 67 HB3 GLU 67 -7.560 1.371 2.317 557 HG2 GLU 67 HG2 GLU 67 -6.506 0.534 0.255 558 HG3 GLU 67 HG3 GLU 67 -5.365 -0.383 1.236 559 H GLY 68 H GLY 68 -4.882 2.517 4.637 560 HA2 GLY 68 HA2 GLY 68 -6.875 4.350 5.482 561 HA3 GLY 68 HA3 GLY 68 -5.420 3.920 6.366 562 H ALA 69 H ALA 69 -3.458 4.749 4.626 563 HA ALA 69 HA ALA 69 -3.405 7.540 5.176 564 HB1 ALA 69 HB1 ALA 69 -1.532 5.900 3.473 565 HB2 ALA 69 HB2 ALA 69 -1.378 6.165 5.209 566 HB3 ALA 69 HB3 ALA 69 -1.222 7.522 4.091 567 H GLN 70 H GLN 70 -3.899 5.634 2.277 568 HA GLN 70 HA GLN 70 -3.827 7.867 0.480 569 HB2 GLN 70 HB2 GLN 70 -4.667 6.479 -1.244 570 HB3 GLN 70 HB3 GLN 70 -3.603 5.473 -0.278 571 HG2 GLN 70 HG2 GLN 70 -5.412 4.364 0.720 572 HG3 GLN 70 HG3 GLN 70 -6.576 5.520 0.074 573 HE21 GLN 70 HE21 GLN 70 -6.965 5.537 -2.162 574 HE22 GLN 70 HE22 GLN 70 -6.717 4.105 -3.109 575 H GLY 71 H GLY 71 -6.336 6.313 2.310 576 HA2 GLY 71 HA2 GLY 71 -8.563 7.704 1.203 577 HA3 GLY 71 HA3 GLY 71 -8.534 6.931 2.783 578 H ALA 72 H ALA 72 -6.398 8.346 3.836 579 HA ALA 72 HA ALA 72 -7.751 10.639 4.873 580 HB1 ALA 72 HB1 ALA 72 -5.675 11.066 6.103 581 HB2 ALA 72 HB2 ALA 72 -4.842 9.855 5.129 582 HB3 ALA 72 HB3 ALA 72 -6.136 9.368 6.225 583 H LEU 73 H LEU 73 -4.867 10.192 2.858 584 HA LEU 73 HA LEU 73 -4.313 12.815 2.230 585 HB2 LEU 73 HB2 LEU 73 -3.940 10.283 0.676 586 HB3 LEU 73 HB3 LEU 73 -3.389 11.832 0.073 587 HG LEU 73 HG LEU 73 -2.475 10.565 2.649 588 HD11 LEU 73 HD11 LEU 73 -0.381 10.184 1.421 589 HD12 LEU 73 HD12 LEU 73 -1.163 10.777 -0.050 590 HD13 LEU 73 HD13 LEU 73 -1.739 9.300 0.719 591 HD21 LEU 73 HD21 LEU 73 -2.358 12.977 2.732 592 HD22 LEU 73 HD22 LEU 73 -1.594 13.023 1.148 593 HD23 LEU 73 HD23 LEU 73 -0.731 12.327 2.523 594 H GLU 74 H GLU 74 -6.365 10.540 0.412 595 HA GLU 74 HA GLU 74 -6.898 12.194 -1.704 596 HB2 GLU 74 HB2 GLU 74 -8.542 9.979 -0.477 597 HB3 GLU 74 HB3 GLU 74 -9.070 10.823 -1.926 598 HG2 GLU 74 HG2 GLU 74 -7.048 10.115 -3.091 599 HG3 GLU 74 HG3 GLU 74 -6.484 9.298 -1.636 600 H ARG 75 H ARG 75 -8.849 11.807 1.254 601 HA ARG 75 HA ARG 75 -10.829 13.696 0.626 602 HB2 ARG 75 HB2 ARG 75 -9.765 12.858 3.326 603 HB3 ARG 75 HB3 ARG 75 -11.233 13.792 3.079 604 HG2 ARG 75 HG2 ARG 75 -12.285 11.972 1.948 605 HG3 ARG 75 HG3 ARG 75 -10.780 11.049 1.935 606 HD2 ARG 75 HD2 ARG 75 -10.824 10.975 4.390 607 HD3 ARG 75 HD3 ARG 75 -12.346 11.864 4.382 608 HE ARG 75 HE ARG 75 -13.331 9.953 3.215 609 HH11 ARG 75 HH11 ARG 75 -10.320 9.416 4.955 610 HH12 ARG 75 HH12 ARG 75 -10.586 7.715 5.140 611 HH21 ARG 75 HH21 ARG 75 -13.676 7.699 3.479 612 HH22 ARG 75 HH22 ARG 75 -12.500 6.740 4.310 613 H GLU 76 H GLU 76 -7.690 14.110 2.210 614 HA GLU 76 HA GLU 76 -8.052 16.834 2.881 615 HB2 GLU 76 HB2 GLU 76 -5.610 15.098 2.612 616 HB3 GLU 76 HB3 GLU 76 -5.543 16.772 3.144 617 HG2 GLU 76 HG2 GLU 76 -7.184 14.657 4.501 618 HG3 GLU 76 HG3 GLU 76 -5.534 15.073 4.966 619 H LEU 77 H LEU 77 -6.019 15.336 0.319 620 HA LEU 77 HA LEU 77 -5.317 17.720 -0.857 621 HB2 LEU 77 HB2 LEU 77 -4.762 16.409 -2.895 622 HB3 LEU 77 HB3 LEU 77 -4.062 15.800 -1.417 623 HG LEU 77 HG LEU 77 -5.977 14.088 -1.422 624 HD11 LEU 77 HD11 LEU 77 -6.124 14.966 -4.299 625 HD12 LEU 77 HD12 LEU 77 -7.390 15.162 -3.087 626 HD13 LEU 77 HD13 LEU 77 -6.908 13.547 -3.608 627 HD21 LEU 77 HD21 LEU 77 -3.862 13.998 -3.571 628 HD22 LEU 77 HD22 LEU 77 -4.729 12.610 -2.918 629 HD23 LEU 77 HD23 LEU 77 -3.645 13.540 -1.883 630 H LYS 78 H LYS 78 -8.431 16.267 -0.960 631 HA LYS 78 HA LYS 78 -9.187 17.325 -3.455 632 HB2 LYS 78 HB2 LYS 78 -10.514 16.086 -1.115 633 HB3 LYS 78 HB3 LYS 78 -11.522 16.939 -2.299 634 HG2 LYS 78 HG2 LYS 78 -9.578 14.730 -2.945 635 HG3 LYS 78 HG3 LYS 78 -11.316 14.493 -2.714 636 HD2 LYS 78 HD2 LYS 78 -11.824 15.791 -4.631 637 HD3 LYS 78 HD3 LYS 78 -10.177 16.402 -4.751 638 HE2 LYS 78 HE2 LYS 78 -9.368 14.191 -5.299 639 HE3 LYS 78 HE3 LYS 78 -10.994 13.522 -5.117 640 HZ1 LYS 78 HZ1 LYS 78 -10.123 15.516 -7.142 641 HZ2 LYS 78 HZ2 LYS 78 -11.707 14.958 -6.953 642 HZ3 LYS 78 HZ3 LYS 78 -10.491 13.890 -7.433 643 H ARG 79 H ARG 79 -8.583 18.734 -0.439 644 HA ARG 79 HA ARG 79 -10.532 20.848 -0.547 645 HB2 ARG 79 HB2 ARG 79 -7.945 20.756 1.017 646 HB3 ARG 79 HB3 ARG 79 -9.313 21.814 1.314 647 HG2 ARG 79 HG2 ARG 79 -9.450 18.820 1.544 648 HG3 ARG 79 HG3 ARG 79 -9.062 19.890 2.889 649 HD2 ARG 79 HD2 ARG 79 -11.233 21.022 2.560 650 HD3 ARG 79 HD3 ARG 79 -11.612 19.871 1.278 651 HE ARG 79 HE ARG 79 -11.736 18.149 2.884 652 HH11 ARG 79 HH11 ARG 79 -11.288 21.325 4.323 653 HH12 ARG 79 HH12 ARG 79 -11.740 20.805 5.906 654 HH21 ARG 79 HH21 ARG 79 -12.310 17.466 4.989 655 HH22 ARG 79 HH22 ARG 79 -12.329 18.605 6.293 656 H THR 80 H THR 80 -7.503 20.247 -2.008 657 HA THR 80 HA THR 80 -6.692 22.977 -2.333 658 HB THR 80 HB THR 80 -5.688 20.656 -3.966 659 HG1 THR 80 HG1 THR 80 -4.739 19.828 -2.272 660 HG21 THR 80 HG21 THR 80 -4.857 22.901 -4.506 661 HG22 THR 80 HG22 THR 80 -3.575 21.891 -3.840 662 HG23 THR 80 HG23 THR 80 -4.345 23.117 -2.832 663 H ASP 81 H ASP 81 -7.048 24.310 -4.082 664 HA ASP 81 HA ASP 81 -9.105 23.923 -5.885 665 HB2 ASP 81 HB2 ASP 81 -6.623 25.551 -6.476 666 HB3 ASP 81 HB3 ASP 81 -8.247 25.813 -7.097 667 H LEU 82 H LEU 82 -9.263 22.982 -7.903 668 HA LEU 82 HA LEU 82 -7.231 21.139 -8.586 669 HB2 LEU 82 HB2 LEU 82 -8.669 20.350 -10.286 670 HB3 LEU 82 HB3 LEU 82 -9.654 20.687 -8.881 671 HG LEU 82 HG LEU 82 -9.527 22.218 -11.481 672 HD11 LEU 82 HD11 LEU 82 -11.881 21.683 -11.620 673 HD12 LEU 82 HD12 LEU 82 -11.789 20.835 -10.077 674 HD13 LEU 82 HD13 LEU 82 -10.898 20.226 -11.470 675 HD21 LEU 82 HD21 LEU 82 -9.633 23.878 -9.729 676 HD22 LEU 82 HD22 LEU 82 -10.969 23.021 -8.950 677 HD23 LEU 82 HD23 LEU 82 -11.200 23.764 -10.534 678 H ASN 83 H ASN 83 -5.565 22.746 -8.791 679 HA ASN 83 HA ASN 83 -5.498 24.483 -11.053 680 HB2 ASN 83 HB2 ASN 83 -4.170 24.486 -8.805 681 HB3 ASN 83 HB3 ASN 83 -3.014 23.584 -9.793 682 HD21 ASN 83 HD21 ASN 83 -1.616 25.187 -9.889 683 HD22 ASN 83 HD22 ASN 83 -1.879 26.625 -10.807 684 H ILE 84 H ILE 84 -3.648 24.259 -12.668 685 HA ILE 84 HA ILE 84 -4.147 22.076 -14.307 686 HB ILE 84 HB ILE 84 -1.643 23.778 -14.292 687 HG12 ILE 84 HG12 ILE 84 -4.255 24.151 -15.783 688 HG13 ILE 84 HG13 ILE 84 -3.710 25.118 -14.420 689 HG21 ILE 84 HG21 ILE 84 -1.482 23.172 -16.666 690 HG22 ILE 84 HG22 ILE 84 -2.885 22.119 -16.489 691 HG23 ILE 84 HG23 ILE 84 -1.392 21.749 -15.629 692 HD11 ILE 84 HD11 ILE 84 -2.360 24.944 -17.104 693 HD12 ILE 84 HD12 ILE 84 -1.828 25.925 -15.737 694 HD13 ILE 84 HD13 ILE 84 -3.366 26.272 -16.527 695 H LEU 85 H LEU 85 -1.231 22.628 -12.260 696 HA LEU 85 HA LEU 85 -0.136 20.079 -12.885 697 HB2 LEU 85 HB2 LEU 85 1.040 22.269 -12.131 698 HB3 LEU 85 HB3 LEU 85 0.589 21.789 -10.512 699 HG LEU 85 HG LEU 85 2.317 20.113 -12.344 700 HD11 LEU 85 HD11 LEU 85 3.126 21.988 -10.128 701 HD12 LEU 85 HD12 LEU 85 3.407 22.228 -11.852 702 HD13 LEU 85 HD13 LEU 85 4.200 20.898 -11.006 703 HD21 LEU 85 HD21 LEU 85 2.925 18.937 -10.286 704 HD22 LEU 85 HD22 LEU 85 1.190 18.837 -10.586 705 HD23 LEU 85 HD23 LEU 85 1.811 19.952 -9.369 706 H GLU 86 H GLU 86 -1.901 21.489 -10.156 707 HA GLU 86 HA GLU 86 -1.752 19.399 -8.351 708 HB2 GLU 86 HB2 GLU 86 -4.018 21.334 -8.839 709 HB3 GLU 86 HB3 GLU 86 -3.936 20.249 -7.460 710 HG2 GLU 86 HG2 GLU 86 -1.933 22.400 -8.109 711 HG3 GLU 86 HG3 GLU 86 -3.223 22.524 -6.915 712 H ARG 87 H ARG 87 -4.379 19.978 -10.740 713 HA ARG 87 HA ARG 87 -5.804 17.671 -10.138 714 HB2 ARG 87 HB2 ARG 87 -6.751 19.520 -11.416 715 HB3 ARG 87 HB3 ARG 87 -5.650 19.188 -12.744 716 HG2 ARG 87 HG2 ARG 87 -6.721 17.045 -13.135 717 HG3 ARG 87 HG3 ARG 87 -7.789 17.309 -11.753 718 HD2 ARG 87 HD2 ARG 87 -8.889 17.819 -13.900 719 HD3 ARG 87 HD3 ARG 87 -8.780 19.231 -12.849 720 HE ARG 87 HE ARG 87 -6.700 18.869 -14.861 721 HH11 ARG 87 HH11 ARG 87 -9.648 20.522 -13.898 722 HH12 ARG 87 HH12 ARG 87 -9.391 21.872 -14.950 723 HH21 ARG 87 HH21 ARG 87 -6.378 20.660 -16.296 724 HH22 ARG 87 HH22 ARG 87 -7.524 21.944 -16.316 725 H PHE 88 H PHE 88 -3.308 18.240 -12.586 726 HA PHE 88 HA PHE 88 -3.447 15.727 -13.828 727 HB2 PHE 88 HB2 PHE 88 -2.340 17.668 -14.839 728 HB3 PHE 88 HB3 PHE 88 -1.100 17.620 -13.594 729 HD1 PHE 88 HD1 PHE 88 -2.572 15.625 -16.357 730 HD2 PHE 88 HD2 PHE 88 0.832 16.366 -13.913 731 HE1 PHE 88 HE1 PHE 88 -1.236 14.116 -17.768 732 HE2 PHE 88 HE2 PHE 88 2.173 14.856 -15.318 733 HZ PHE 88 HZ PHE 88 1.137 13.730 -17.249 734 H ASN 89 H ASN 89 -1.443 16.887 -11.170 735 HA ASN 89 HA ASN 89 0.084 14.492 -10.915 736 HB2 ASN 89 HB2 ASN 89 0.675 16.833 -10.027 737 HB3 ASN 89 HB3 ASN 89 -0.376 16.454 -8.670 738 HD21 ASN 89 HD21 ASN 89 2.504 16.962 -8.748 739 HD22 ASN 89 HD22 ASN 89 3.249 15.568 -8.058 740 H TYR 90 H TYR 90 -2.669 15.774 -9.050 741 HA TYR 90 HA TYR 90 -3.031 13.712 -7.247 742 HB2 TYR 90 HB2 TYR 90 -5.045 15.484 -8.630 743 HB3 TYR 90 HB3 TYR 90 -5.501 14.343 -7.374 744 HD1 TYR 90 HD1 TYR 90 -2.278 15.991 -7.028 745 HD2 TYR 90 HD2 TYR 90 -6.417 16.261 -6.129 746 HE1 TYR 90 HE1 TYR 90 -1.791 17.695 -5.333 747 HE2 TYR 90 HE2 TYR 90 -5.955 17.954 -4.435 748 HH TYR 90 HH TYR 90 -3.064 19.614 -4.281 749 H GLU 91 H GLU 91 -4.573 14.049 -10.412 750 HA GLU 91 HA GLU 91 -5.900 11.585 -10.467 751 HB2 GLU 91 HB2 GLU 91 -4.918 13.411 -12.639 752 HB3 GLU 91 HB3 GLU 91 -5.720 11.894 -13.021 753 HG2 GLU 91 HG2 GLU 91 -6.891 14.136 -11.384 754 HG3 GLU 91 HG3 GLU 91 -7.264 13.784 -13.070 755 H GLU 92 H GLU 92 -2.577 12.402 -11.309 756 HA GLU 92 HA GLU 92 -1.981 9.886 -12.505 757 HB2 GLU 92 HB2 GLU 92 -0.641 11.814 -13.076 758 HB3 GLU 92 HB3 GLU 92 -0.180 12.041 -11.395 759 HG2 GLU 92 HG2 GLU 92 1.020 9.904 -11.442 760 HG3 GLU 92 HG3 GLU 92 0.577 9.700 -13.135 761 H ALA 93 H ALA 93 -1.457 11.242 -9.222 762 HA ALA 93 HA ALA 93 0.027 9.045 -8.264 763 HB1 ALA 93 HB1 ALA 93 0.055 11.236 -7.174 764 HB2 ALA 93 HB2 ALA 93 -0.473 9.984 -6.049 765 HB3 ALA 93 HB3 ALA 93 -1.655 11.072 -6.778 766 H GLN 94 H GLN 94 -3.367 9.912 -8.302 767 HA GLN 94 HA GLN 94 -4.374 7.769 -6.787 768 HB2 GLN 94 HB2 GLN 94 -5.605 9.846 -7.377 769 HB3 GLN 94 HB3 GLN 94 -5.701 9.284 -9.037 770 HG2 GLN 94 HG2 GLN 94 -6.975 7.327 -8.260 771 HG3 GLN 94 HG3 GLN 94 -6.953 7.999 -6.628 772 HE21 GLN 94 HE21 GLN 94 -8.219 8.292 -9.829 773 HE22 GLN 94 HE22 GLN 94 -9.452 9.443 -9.452 774 H THR 95 H THR 95 -3.751 8.191 -10.203 775 HA THR 95 HA THR 95 -4.747 5.756 -11.111 776 HB THR 95 HB THR 95 -2.436 7.378 -12.200 777 HG1 THR 95 HG1 THR 95 -4.393 8.454 -12.389 778 HG21 THR 95 HG21 THR 95 -2.230 5.044 -12.944 779 HG22 THR 95 HG22 THR 95 -2.719 6.086 -14.282 780 HG23 THR 95 HG23 THR 95 -3.909 5.059 -13.480 781 H LEU 96 H LEU 96 -1.442 6.552 -9.873 782 HA LEU 96 HA LEU 96 -0.458 3.965 -10.342 783 HB2 LEU 96 HB2 LEU 96 0.524 6.081 -8.433 784 HB3 LEU 96 HB3 LEU 96 1.417 4.663 -8.938 785 HG LEU 96 HG LEU 96 0.573 6.927 -10.747 786 HD11 LEU 96 HD11 LEU 96 3.277 6.209 -9.627 787 HD12 LEU 96 HD12 LEU 96 2.301 7.608 -9.182 788 HD13 LEU 96 HD13 LEU 96 2.953 7.472 -10.815 789 HD21 LEU 96 HD21 LEU 96 2.286 4.499 -11.279 790 HD22 LEU 96 HD22 LEU 96 2.035 5.841 -12.394 791 HD23 LEU 96 HD23 LEU 96 0.680 4.808 -11.940 792 H SER 97 H SER 97 -1.935 5.543 -7.523 793 HA SER 97 HA SER 97 -1.291 3.556 -5.670 794 HB2 SER 97 HB2 SER 97 -3.178 4.468 -4.312 795 HB3 SER 97 HB3 SER 97 -2.059 5.701 -4.884 796 HG SER 97 HG SER 97 -4.507 5.942 -5.110 797 H LYS 98 H LYS 98 -4.235 3.932 -7.679 798 HA LYS 98 HA LYS 98 -5.536 1.667 -6.691 799 HB2 LYS 98 HB2 LYS 98 -5.754 3.054 -9.362 800 HB3 LYS 98 HB3 LYS 98 -6.846 1.789 -8.814 801 HG2 LYS 98 HG2 LYS 98 -7.511 3.192 -6.920 802 HG3 LYS 98 HG3 LYS 98 -6.430 4.463 -7.495 803 HD2 LYS 98 HD2 LYS 98 -7.710 4.618 -9.567 804 HD3 LYS 98 HD3 LYS 98 -8.774 3.323 -9.012 805 HE2 LYS 98 HE2 LYS 98 -9.478 4.708 -7.126 806 HE3 LYS 98 HE3 LYS 98 -8.411 6.001 -7.667 807 HZ1 LYS 98 HZ1 LYS 98 -9.711 6.120 -9.729 808 HZ2 LYS 98 HZ2 LYS 98 -10.659 6.425 -8.362 809 HZ3 LYS 98 HZ3 LYS 98 -10.758 4.931 -9.137 810 H ILE 99 H ILE 99 -3.190 2.063 -9.326 811 HA ILE 99 HA ILE 99 -3.434 -0.562 -10.315 812 HB ILE 99 HB ILE 99 -1.392 1.597 -10.592 813 HG12 ILE 99 HG12 ILE 99 -1.735 1.167 -12.988 814 HG13 ILE 99 HG13 ILE 99 -2.727 -0.232 -12.605 815 HG21 ILE 99 HG21 ILE 99 -0.792 -1.272 -11.312 816 HG22 ILE 99 HG22 ILE 99 0.051 -0.295 -10.111 817 HG23 ILE 99 HG23 ILE 99 0.160 0.122 -11.822 818 HD11 ILE 99 HD11 ILE 99 -4.399 1.221 -11.601 819 HD12 ILE 99 HD12 ILE 99 -4.064 1.697 -13.264 820 HD13 ILE 99 HD13 ILE 99 -3.386 2.625 -11.928 821 H LEU 100 H LEU 100 -1.398 0.857 -7.804 822 HA LEU 100 HA LEU 100 0.119 -1.415 -7.200 823 HB2 LEU 100 HB2 LEU 100 -0.770 0.835 -5.393 824 HB3 LEU 100 HB3 LEU 100 0.433 -0.361 -4.965 825 HG LEU 100 HG LEU 100 0.687 1.627 -7.223 826 HD11 LEU 100 HD11 LEU 100 2.373 2.688 -5.807 827 HD12 LEU 100 HD12 LEU 100 1.999 1.552 -4.511 828 HD13 LEU 100 HD13 LEU 100 0.780 2.708 -5.049 829 HD21 LEU 100 HD21 LEU 100 2.646 -0.377 -6.101 830 HD22 LEU 100 HD22 LEU 100 3.029 0.869 -7.288 831 HD23 LEU 100 HD23 LEU 100 1.898 -0.418 -7.699 832 H LEU 101 H LEU 101 -2.912 -0.236 -5.776 833 HA LEU 101 HA LEU 101 -3.295 -2.293 -3.934 834 HB2 LEU 101 HB2 LEU 101 -5.093 -0.352 -5.288 835 HB3 LEU 101 HB3 LEU 101 -5.840 -1.716 -4.490 836 HG LEU 101 HG LEU 101 -5.836 0.223 -3.037 837 HD11 LEU 101 HD11 LEU 101 -4.835 -0.751 -1.068 838 HD12 LEU 101 HD12 LEU 101 -3.872 -1.839 -2.064 839 HD13 LEU 101 HD13 LEU 101 -5.629 -1.997 -2.034 840 HD21 LEU 101 HD21 LEU 101 -3.885 1.374 -3.940 841 HD22 LEU 101 HD22 LEU 101 -2.829 0.137 -3.257 842 HD23 LEU 101 HD23 LEU 101 -3.763 1.189 -2.191 843 H LYS 102 H LYS 102 -4.341 -2.109 -7.365 844 HA LYS 102 HA LYS 102 -5.710 -4.528 -7.420 845 HB2 LYS 102 HB2 LYS 102 -4.137 -3.144 -9.588 846 HB3 LYS 102 HB3 LYS 102 -5.163 -4.538 -9.871 847 HG2 LYS 102 HG2 LYS 102 -7.088 -3.189 -9.005 848 HG3 LYS 102 HG3 LYS 102 -6.008 -1.792 -8.974 849 HD2 LYS 102 HD2 LYS 102 -6.684 -3.444 -11.415 850 HD3 LYS 102 HD3 LYS 102 -7.344 -1.853 -11.035 851 HE2 LYS 102 HE2 LYS 102 -5.193 -0.831 -11.260 852 HE3 LYS 102 HE3 LYS 102 -4.396 -2.398 -11.393 853 HZ1 LYS 102 HZ1 LYS 102 -4.623 -1.365 -13.549 854 HZ2 LYS 102 HZ2 LYS 102 -6.299 -1.236 -13.352 855 HZ3 LYS 102 HZ3 LYS 102 -5.577 -2.760 -13.476 856 H ASP 103 H ASP 103 -2.197 -3.866 -7.921 857 HA ASP 103 HA ASP 103 -1.642 -6.542 -8.614 858 HB2 ASP 103 HB2 ASP 103 -0.212 -4.418 -9.028 859 HB3 ASP 103 HB3 ASP 103 0.404 -4.707 -7.402 860 H LEU 104 H LEU 104 -1.723 -4.811 -5.415 861 HA LEU 104 HA LEU 104 -0.551 -6.893 -3.972 862 HB2 LEU 104 HB2 LEU 104 -2.283 -4.541 -3.369 863 HB3 LEU 104 HB3 LEU 104 -2.205 -5.806 -2.165 864 HG LEU 104 HG LEU 104 -0.660 -4.028 -1.616 865 HD11 LEU 104 HD11 LEU 104 1.415 -5.312 -1.415 866 HD12 LEU 104 HD12 LEU 104 0.769 -6.513 -2.531 867 HD13 LEU 104 HD13 LEU 104 -0.008 -6.250 -0.971 868 HD21 LEU 104 HD21 LEU 104 0.653 -4.592 -4.269 869 HD22 LEU 104 HD22 LEU 104 1.256 -3.492 -3.028 870 HD23 LEU 104 HD23 LEU 104 -0.264 -3.143 -3.851 871 H LYS 105 H LYS 105 -3.938 -6.105 -4.738 872 HA LYS 105 HA LYS 105 -5.168 -8.246 -3.469 873 HB2 LYS 105 HB2 LYS 105 -5.861 -6.426 -5.689 874 HB3 LYS 105 HB3 LYS 105 -6.745 -7.939 -5.656 875 HG2 LYS 105 HG2 LYS 105 -8.030 -6.257 -4.527 876 HG3 LYS 105 HG3 LYS 105 -7.467 -7.429 -3.341 877 HD2 LYS 105 HD2 LYS 105 -5.925 -4.899 -3.833 878 HD3 LYS 105 HD3 LYS 105 -7.351 -4.883 -2.798 879 HE2 LYS 105 HE2 LYS 105 -6.311 -6.687 -1.437 880 HE3 LYS 105 HE3 LYS 105 -4.861 -6.544 -2.427 881 HZ1 LYS 105 HZ1 LYS 105 -4.669 -4.232 -1.702 882 HZ2 LYS 105 HZ2 LYS 105 -4.633 -5.308 -0.397 883 HZ3 LYS 105 HZ3 LYS 105 -6.034 -4.424 -0.720 884 H GLU 106 H GLU 106 -3.569 -8.101 -6.585 885 HA GLU 106 HA GLU 106 -4.364 -10.692 -7.418 886 HB2 GLU 106 HB2 GLU 106 -3.553 -8.943 -8.980 887 HB3 GLU 106 HB3 GLU 106 -1.941 -9.123 -8.298 888 HG2 GLU 106 HG2 GLU 106 -1.969 -11.500 -8.997 889 HG3 GLU 106 HG3 GLU 106 -3.515 -11.207 -9.788 890 H THR 107 H THR 107 -1.470 -9.447 -5.737 891 HA THR 107 HA THR 107 -0.075 -11.893 -5.812 892 HB THR 107 HB THR 107 1.001 -10.765 -3.618 893 HG1 THR 107 HG1 THR 107 0.250 -8.473 -5.070 894 HG21 THR 107 HG21 THR 107 2.163 -11.253 -5.727 895 HG22 THR 107 HG22 THR 107 2.600 -9.667 -5.091 896 HG23 THR 107 HG23 THR 107 1.468 -9.795 -6.435 897 H GLU 108 H GLU 108 -1.906 -10.385 -3.125 898 HA GLU 108 HA GLU 108 -1.742 -12.441 -1.323 899 HB2 GLU 108 HB2 GLU 108 -3.921 -11.662 -0.387 900 HB3 GLU 108 HB3 GLU 108 -2.763 -10.376 -0.671 901 HG2 GLU 108 HG2 GLU 108 -3.927 -9.669 -2.623 902 HG3 GLU 108 HG3 GLU 108 -5.003 -11.063 -2.541 903 H GLN 109 H GLN 109 -4.217 -12.066 -3.847 904 HA GLN 109 HA GLN 109 -5.694 -14.362 -3.428 905 HB2 GLN 109 HB2 GLN 109 -6.363 -12.578 -4.930 906 HB3 GLN 109 HB3 GLN 109 -5.026 -12.941 -6.007 907 HG2 GLN 109 HG2 GLN 109 -6.054 -15.165 -6.421 908 HG3 GLN 109 HG3 GLN 109 -7.438 -14.651 -5.454 909 HE21 GLN 109 HE21 GLN 109 -8.764 -12.988 -6.235 910 HE22 GLN 109 HE22 GLN 109 -8.790 -12.562 -7.911 911 H LYS 110 H LYS 110 -2.774 -13.937 -5.440 912 HA LYS 110 HA LYS 110 -2.715 -16.611 -6.353 913 HB2 LYS 110 HB2 LYS 110 -0.511 -14.554 -6.146 914 HB3 LYS 110 HB3 LYS 110 -0.337 -16.108 -6.958 915 HG2 LYS 110 HG2 LYS 110 -2.122 -15.504 -8.510 916 HG3 LYS 110 HG3 LYS 110 -2.310 -13.955 -7.697 917 HD2 LYS 110 HD2 LYS 110 0.203 -14.895 -9.081 918 HD3 LYS 110 HD3 LYS 110 -0.996 -13.810 -9.785 919 HE2 LYS 110 HE2 LYS 110 -0.568 -12.298 -7.789 920 HE3 LYS 110 HE3 LYS 110 0.831 -13.316 -7.450 921 HZ1 LYS 110 HZ1 LYS 110 1.630 -12.812 -9.723 922 HZ2 LYS 110 HZ2 LYS 110 1.527 -11.443 -8.739 923 HZ3 LYS 110 HZ3 LYS 110 0.349 -11.719 -9.913 924 H VAL 111 H VAL 111 -1.207 -14.995 -3.628 925 HA VAL 111 HA VAL 111 0.354 -17.084 -2.629 926 HB VAL 111 HB VAL 111 -1.088 -14.863 -1.154 927 HG11 VAL 111 HG11 VAL 111 1.034 -16.749 -0.149 928 HG12 VAL 111 HG12 VAL 111 -0.627 -16.616 0.427 929 HG13 VAL 111 HG13 VAL 111 0.505 -15.291 0.687 930 HG21 VAL 111 HG21 VAL 111 0.606 -14.162 -2.804 931 HG22 VAL 111 HG22 VAL 111 1.810 -15.122 -1.940 932 HG23 VAL 111 HG23 VAL 111 1.045 -13.744 -1.150 933 H LYS 112 H LYS 112 -2.986 -16.181 -1.835 934 HA LYS 112 HA LYS 112 -3.384 -18.469 -0.169 935 HB2 LYS 112 HB2 LYS 112 -5.779 -17.736 -0.184 936 HB3 LYS 112 HB3 LYS 112 -4.639 -16.516 0.359 937 HG2 LYS 112 HG2 LYS 112 -4.746 -15.567 -1.960 938 HG3 LYS 112 HG3 LYS 112 -6.101 -16.664 -2.246 939 HD2 LYS 112 HD2 LYS 112 -6.020 -14.740 0.067 940 HD3 LYS 112 HD3 LYS 112 -6.702 -14.318 -1.503 941 HE2 LYS 112 HE2 LYS 112 -8.376 -15.914 -1.333 942 HE3 LYS 112 HE3 LYS 112 -7.575 -16.760 -0.009 943 HZ1 LYS 112 HZ1 LYS 112 -9.483 -15.454 0.742 944 HZ2 LYS 112 HZ2 LYS 112 -8.761 -14.038 0.167 945 HZ3 LYS 112 HZ3 LYS 112 -8.051 -14.894 1.438 946 H ASP 113 H ASP 113 -3.428 -17.971 -3.473 947 HA ASP 113 HA ASP 113 -5.323 -19.984 -4.211 948 HB2 ASP 113 HB2 ASP 113 -4.732 -18.198 -5.782 949 HB3 ASP 113 HB3 ASP 113 -3.063 -18.754 -5.805 950 H ILE 114 H ILE 114 -1.903 -19.932 -3.380 951 HA ILE 114 HA ILE 114 -1.323 -22.551 -4.343 952 HB ILE 114 HB ILE 114 0.056 -20.454 -2.761 953 HG12 ILE 114 HG12 ILE 114 2.019 -21.243 -4.091 954 HG13 ILE 114 HG13 ILE 114 0.991 -22.480 -4.796 955 HG21 ILE 114 HG21 ILE 114 0.197 -22.178 -1.104 956 HG22 ILE 114 HG22 ILE 114 1.780 -21.962 -1.852 957 HG23 ILE 114 HG23 ILE 114 0.773 -23.338 -2.299 958 HD11 ILE 114 HD11 ILE 114 0.591 -19.511 -5.052 959 HD12 ILE 114 HD12 ILE 114 -0.428 -20.759 -5.770 960 HD13 ILE 114 HD13 ILE 114 1.250 -20.585 -6.285 961 H GLN 115 H GLN 115 -2.051 -24.377 -3.493 962 HA GLN 115 HA GLN 115 -3.428 -24.395 -0.984 963 HB2 GLN 115 HB2 GLN 115 -3.778 -26.776 -1.376 964 HB3 GLN 115 HB3 GLN 115 -4.173 -25.836 -2.805 965 HG2 GLN 115 HG2 GLN 115 -2.168 -26.510 -3.891 966 HG3 GLN 115 HG3 GLN 115 -1.558 -27.255 -2.414 967 HE21 GLN 115 HE21 GLN 115 -1.329 -29.241 -3.421 968 HE22 GLN 115 HE22 GLN 115 -2.693 -30.245 -3.787 969 H THR 116 H THR 116 -2.593 -24.693 0.950 970 HA THR 116 HA THR 116 0.024 -25.987 1.110 971 HB THR 116 HB THR 116 0.293 -24.666 3.240 972 HG1 THR 116 HG1 THR 116 -1.351 -23.456 3.845 973 HG21 THR 116 HG21 THR 116 1.418 -24.066 1.150 974 HG22 THR 116 HG22 THR 116 0.933 -22.609 2.032 975 HG23 THR 116 HG23 THR 116 -0.006 -23.160 0.642 976 H GLN 117 H GLN 117 0.234 -26.506 3.750 977 HA GLN 117 HA GLN 117 -2.048 -28.284 4.248 978 HB2 GLN 117 HB2 GLN 117 0.467 -29.086 3.638 979 HB3 GLN 117 HB3 GLN 117 0.575 -29.000 5.389 980 HG2 GLN 117 HG2 GLN 117 -1.402 -30.621 3.801 981 HG3 GLN 117 HG3 GLN 117 0.016 -31.228 4.651 982 HE21 GLN 117 HE21 GLN 117 -0.023 -31.366 6.889 983 HE22 GLN 117 HE22 GLN 117 -1.494 -31.266 7.794 Start of MODEL 3 1 H GLN 1 H1 GLN 1 10.272 21.870 12.248 2 HA GLN 1 HA GLN 1 12.066 20.749 11.206 3 HB2 GLN 1 HB2 GLN 1 12.234 19.133 13.772 4 HB3 GLN 1 HB3 GLN 1 13.121 18.792 12.299 5 HG2 GLN 1 HG2 GLN 1 14.650 19.847 13.736 6 HG3 GLN 1 HG3 GLN 1 14.187 21.069 12.557 7 HE21 GLN 1 HE21 GLN 1 13.962 20.046 15.858 8 HE22 GLN 1 HE22 GLN 1 13.349 21.532 16.493 9 H GLU 2 H GLU 2 11.971 18.283 10.626 10 HA GLU 2 HA GLU 2 9.136 17.597 10.397 11 HB2 GLU 2 HB2 GLU 2 11.174 17.636 8.553 12 HB3 GLU 2 HB3 GLU 2 11.173 15.949 9.027 13 HG2 GLU 2 HG2 GLU 2 8.798 17.462 7.953 14 HG3 GLU 2 HG3 GLU 2 9.823 16.371 7.027 15 H HIS 3 H HIS 3 8.450 15.402 10.893 16 HA HIS 3 HA HIS 3 9.743 14.333 13.212 17 HB2 HIS 3 HB2 HIS 3 7.967 12.711 13.335 18 HB3 HIS 3 HB3 HIS 3 7.244 14.232 12.853 19 HD1 HIS 3 HD1 HIS 3 6.905 14.342 10.027 20 HD2 HIS 3 HD2 HIS 3 7.100 10.624 11.887 21 HE1 HIS 3 HE1 HIS 3 5.804 12.741 8.457 22 HE2 HIS 3 HE2 HIS 3 5.705 10.575 9.719 23 H LYS 4 H LYS 4 9.447 13.376 9.890 24 HA LYS 4 HA LYS 4 11.561 11.378 10.319 25 HB2 LYS 4 HB2 LYS 4 9.642 11.736 8.014 26 HB3 LYS 4 HB3 LYS 4 10.987 10.609 7.978 27 HG2 LYS 4 HG2 LYS 4 10.007 9.568 10.063 28 HG3 LYS 4 HG3 LYS 4 8.576 10.559 9.767 29 HD2 LYS 4 HD2 LYS 4 8.192 8.389 8.828 30 HD3 LYS 4 HD3 LYS 4 8.423 9.528 7.499 31 HE2 LYS 4 HE2 LYS 4 10.727 8.791 7.240 32 HE3 LYS 4 HE3 LYS 4 10.555 7.707 8.617 33 HZ1 LYS 4 HZ1 LYS 4 10.345 6.552 6.509 34 HZ2 LYS 4 HZ2 LYS 4 9.021 7.518 6.087 35 HZ3 LYS 4 HZ3 LYS 4 8.913 6.456 7.399 36 HA PRO 5 HA PRO 5 14.600 13.866 8.352 37 HB2 PRO 5 HB2 PRO 5 16.078 12.035 6.985 38 HB3 PRO 5 HB3 PRO 5 16.118 12.181 8.747 39 HG2 PRO 5 HG2 PRO 5 14.585 10.253 7.043 40 HG3 PRO 5 HG3 PRO 5 15.518 9.942 8.519 41 HD2 PRO 5 HD2 PRO 5 12.838 10.166 8.546 42 HD3 PRO 5 HD3 PRO 5 13.841 10.731 9.897 43 H LYS 6 H LYS 6 12.307 14.263 6.955 44 HA LYS 6 HA LYS 6 11.369 14.776 4.999 45 HB2 LYS 6 HB2 LYS 6 14.249 14.784 4.175 46 HB3 LYS 6 HB3 LYS 6 12.958 15.237 3.071 47 HG2 LYS 6 HG2 LYS 6 12.325 17.085 4.399 48 HG3 LYS 6 HG3 LYS 6 13.311 16.537 5.755 49 HD2 LYS 6 HD2 LYS 6 14.419 17.359 3.080 50 HD3 LYS 6 HD3 LYS 6 14.283 18.436 4.472 51 HE2 LYS 6 HE2 LYS 6 15.678 16.904 5.771 52 HE3 LYS 6 HE3 LYS 6 15.835 15.866 4.359 53 HZ1 LYS 6 HZ1 LYS 6 16.898 17.693 3.182 54 HZ2 LYS 6 HZ2 LYS 6 17.754 17.299 4.582 55 HZ3 LYS 6 HZ3 LYS 6 16.778 18.676 4.553 56 H LYS 7 H LYS 7 11.576 14.038 2.406 57 HA LYS 7 HA LYS 7 10.767 11.300 2.495 58 HB2 LYS 7 HB2 LYS 7 9.711 12.785 0.894 59 HB3 LYS 7 HB3 LYS 7 11.260 13.123 0.134 60 HG2 LYS 7 HG2 LYS 7 11.428 10.753 -0.519 61 HG3 LYS 7 HG3 LYS 7 9.832 10.474 0.170 62 HD2 LYS 7 HD2 LYS 7 8.860 12.043 -1.413 63 HD3 LYS 7 HD3 LYS 7 10.462 12.389 -2.068 64 HE2 LYS 7 HE2 LYS 7 9.116 9.688 -2.097 65 HE3 LYS 7 HE3 LYS 7 9.178 10.803 -3.459 66 HZ1 LYS 7 HZ1 LYS 7 11.569 10.590 -3.514 67 HZ2 LYS 7 HZ2 LYS 7 10.874 9.051 -3.583 68 HZ3 LYS 7 HZ3 LYS 7 11.557 9.603 -2.142 69 H ASP 8 H ASP 8 13.407 12.906 0.755 70 HA ASP 8 HA ASP 8 15.335 10.940 1.380 71 HB2 ASP 8 HB2 ASP 8 13.895 9.677 -0.268 72 HB3 ASP 8 HB3 ASP 8 14.312 10.880 -1.478 73 H ASP 9 H ASP 9 16.037 11.726 -1.764 74 HA ASP 9 HA ASP 9 17.315 14.238 -0.947 75 HB2 ASP 9 HB2 ASP 9 18.319 12.225 -2.984 76 HB3 ASP 9 HB3 ASP 9 19.089 13.752 -2.583 77 H PHE 10 H PHE 10 14.966 12.779 -2.685 78 HA PHE 10 HA PHE 10 14.779 14.955 -4.624 79 HB2 PHE 10 HB2 PHE 10 15.754 13.078 -5.829 80 HB3 PHE 10 HB3 PHE 10 14.516 11.995 -5.215 81 HD1 PHE 10 HD1 PHE 10 14.848 15.137 -7.197 82 HD2 PHE 10 HD2 PHE 10 12.730 11.499 -6.572 83 HE1 PHE 10 HE1 PHE 10 13.484 15.589 -9.191 84 HE2 PHE 10 HE2 PHE 10 11.363 11.950 -8.567 85 HZ PHE 10 HZ PHE 10 11.740 13.998 -9.879 86 H ARG 11 H ARG 11 12.666 15.408 -5.288 87 HA ARG 11 HA ARG 11 10.463 15.836 -4.978 88 HB2 ARG 11 HB2 ARG 11 10.319 13.432 -5.713 89 HB3 ARG 11 HB3 ARG 11 10.257 12.970 -4.019 90 HG2 ARG 11 HG2 ARG 11 8.030 12.976 -4.925 91 HG3 ARG 11 HG3 ARG 11 8.184 14.301 -3.771 92 HD2 ARG 11 HD2 ARG 11 6.991 15.045 -5.751 93 HD3 ARG 11 HD3 ARG 11 8.546 15.860 -5.633 94 HE ARG 11 HE ARG 11 8.329 13.477 -7.326 95 HH11 ARG 11 HH11 ARG 11 8.751 16.961 -7.068 96 HH12 ARG 11 HH12 ARG 11 9.244 17.144 -8.717 97 HH21 ARG 11 HH21 ARG 11 8.966 13.740 -9.523 98 HH22 ARG 11 HH22 ARG 11 9.355 15.321 -10.111 99 H ASN 12 H ASN 12 11.670 17.027 -3.166 100 HA ASN 12 HA ASN 12 9.927 17.048 -0.897 101 HB2 ASN 12 HB2 ASN 12 11.686 15.287 -0.294 102 HB3 ASN 12 HB3 ASN 12 12.876 16.583 -0.353 103 HD21 ASN 12 HD21 ASN 12 12.577 18.377 1.131 104 HD22 ASN 12 HD22 ASN 12 11.807 18.109 2.652 105 H GLU 13 H GLU 13 9.516 19.195 -1.164 106 HA GLU 13 HA GLU 13 11.893 20.893 -1.505 107 HB2 GLU 13 HB2 GLU 13 10.484 22.440 -2.847 108 HB3 GLU 13 HB3 GLU 13 10.784 20.877 -3.587 109 HG2 GLU 13 HG2 GLU 13 8.523 20.168 -2.751 110 HG3 GLU 13 HG3 GLU 13 8.254 21.853 -2.302 111 H PHE 14 H PHE 14 8.807 20.581 0.154 112 HA PHE 14 HA PHE 14 9.567 22.945 1.732 113 HB2 PHE 14 HB2 PHE 14 6.828 21.777 1.142 114 HB3 PHE 14 HB3 PHE 14 7.118 23.023 2.346 115 HD1 PHE 14 HD2 PHE 14 7.971 25.256 1.606 116 HD2 PHE 14 HD1 PHE 14 6.595 22.307 -1.131 117 HE1 PHE 14 HE2 PHE 14 7.708 26.989 -0.121 118 HE2 PHE 14 HE1 PHE 14 6.327 24.033 -2.865 119 HZ PHE 14 HZ PHE 14 6.885 26.380 -2.360 120 H ASP 15 H ASP 15 7.659 22.275 3.824 121 HA ASP 15 HA ASP 15 9.160 20.415 5.330 122 HB2 ASP 15 HB2 ASP 15 6.488 21.712 5.676 123 HB3 ASP 15 HB3 ASP 15 6.883 20.320 6.679 124 H HIS 16 H HIS 16 5.985 20.202 3.844 125 HA HIS 16 HA HIS 16 6.366 17.779 2.537 126 HB2 HIS 16 HB2 HIS 16 5.213 17.516 5.276 127 HB3 HIS 16 HB3 HIS 16 4.467 16.576 3.989 128 HD1 HIS 16 HD1 HIS 16 7.433 16.213 2.575 129 HD2 HIS 16 HD2 HIS 16 6.227 15.169 6.425 130 HE1 HIS 16 HE1 HIS 16 9.038 14.426 3.336 131 HE2 HIS 16 HE2 HIS 16 8.471 14.105 5.782 132 H LEU 17 H LEU 17 4.983 17.739 0.943 133 HA LEU 17 HA LEU 17 2.547 19.359 1.163 134 HB2 LEU 17 HB2 LEU 17 3.963 18.267 -1.275 135 HB3 LEU 17 HB3 LEU 17 2.498 19.221 -1.305 136 HG LEU 17 HG LEU 17 5.193 20.194 -0.353 137 HD11 LEU 17 HD11 LEU 17 3.646 20.749 -2.880 138 HD12 LEU 17 HD12 LEU 17 5.158 19.848 -2.752 139 HD13 LEU 17 HD13 LEU 17 5.125 21.573 -2.389 140 HD21 LEU 17 HD21 LEU 17 4.120 22.400 -0.317 141 HD22 LEU 17 HD22 LEU 17 3.356 21.291 0.819 142 HD23 LEU 17 HD23 LEU 17 2.576 21.653 -0.721 143 H LEU 18 H LEU 18 0.709 18.388 -0.234 144 HA LEU 18 HA LEU 18 -0.025 15.922 0.914 145 HB2 LEU 18 HB2 LEU 18 -1.178 17.263 -1.540 146 HB3 LEU 18 HB3 LEU 18 -1.907 15.929 -0.681 147 HG LEU 18 HG LEU 18 -3.137 17.759 0.024 148 HD11 LEU 18 HD11 LEU 18 -0.997 17.452 2.111 149 HD12 LEU 18 HD12 LEU 18 -2.438 16.454 1.923 150 HD13 LEU 18 HD13 LEU 18 -2.595 18.153 2.364 151 HD21 LEU 18 HD21 LEU 18 -0.621 19.368 0.441 152 HD22 LEU 18 HD22 LEU 18 -2.287 19.931 0.598 153 HD23 LEU 18 HD23 LEU 18 -1.659 19.460 -0.982 154 H ILE 19 H ILE 19 1.116 16.805 -2.303 155 HA ILE 19 HA ILE 19 1.064 14.179 -3.312 156 HB ILE 19 HB ILE 19 2.445 16.682 -4.267 157 HG12 ILE 19 HG12 ILE 19 0.022 16.544 -4.510 158 HG13 ILE 19 HG13 ILE 19 0.806 16.483 -6.086 159 HG21 ILE 19 HG21 ILE 19 3.078 15.505 -6.311 160 HG22 ILE 19 HG22 ILE 19 2.460 13.995 -5.647 161 HG23 ILE 19 HG23 ILE 19 3.869 14.767 -4.914 162 HD11 ILE 19 HD11 ILE 19 -0.619 14.325 -4.592 163 HD12 ILE 19 HD12 ILE 19 0.632 13.905 -5.753 164 HD13 ILE 19 HD13 ILE 19 -0.774 14.815 -6.281 165 H GLU 20 H GLU 20 3.556 16.011 -1.599 166 HA GLU 20 HA GLU 20 5.715 14.293 -2.064 167 HB2 GLU 20 HB2 GLU 20 5.032 16.013 0.314 168 HB3 GLU 20 HB3 GLU 20 6.493 15.043 0.263 169 HG2 GLU 20 HG2 GLU 20 7.150 16.264 -1.811 170 HG3 GLU 20 HG3 GLU 20 5.754 17.314 -1.571 171 H GLN 21 H GLN 21 3.137 14.130 0.351 172 HA GLN 21 HA GLN 21 4.140 11.850 1.694 173 HB2 GLN 21 HB2 GLN 21 1.373 13.033 1.530 174 HB3 GLN 21 HB3 GLN 21 1.759 11.640 2.529 175 HG2 GLN 21 HG2 GLN 21 3.044 14.352 2.773 176 HG3 GLN 21 HG3 GLN 21 1.737 13.750 3.790 177 HE21 GLN 21 HE21 GLN 21 2.167 12.115 5.276 178 HE22 GLN 21 HE22 GLN 21 3.774 11.732 5.775 179 H ALA 22 H ALA 22 1.501 12.165 -0.708 180 HA ALA 22 HA ALA 22 0.940 9.483 -1.057 181 HB1 ALA 22 HB1 ALA 22 -0.015 10.104 -3.207 182 HB2 ALA 22 HB2 ALA 22 0.850 11.641 -3.164 183 HB3 ALA 22 HB3 ALA 22 -0.416 11.308 -1.982 184 H ASN 23 H ASN 23 3.222 11.487 -2.786 185 HA ASN 23 HA ASN 23 4.164 9.654 -4.672 186 HB2 ASN 23 HB2 ASN 23 4.650 12.096 -4.685 187 HB3 ASN 23 HB3 ASN 23 5.754 11.856 -3.338 188 HD21 ASN 23 HD21 ASN 23 5.280 11.591 -6.729 189 HD22 ASN 23 HD22 ASN 23 6.884 11.094 -7.125 190 H HIS 24 H HIS 24 5.253 10.298 -1.370 191 HA HIS 24 HA HIS 24 7.420 8.463 -1.521 192 HB2 HIS 24 HB2 HIS 24 7.330 10.354 0.106 193 HB3 HIS 24 HB3 HIS 24 6.056 9.502 0.972 194 HD1 HIS 24 HD1 HIS 24 7.226 8.875 3.106 195 HD2 HIS 24 HD2 HIS 24 9.453 7.899 -0.267 196 HE1 HIS 24 HE1 HIS 24 9.198 7.569 3.950 197 HE2 HIS 24 HE2 HIS 24 10.638 7.203 1.918 198 H ALA 25 H ALA 25 4.020 8.194 -0.326 199 HA ALA 25 HA ALA 25 4.341 5.651 0.765 200 HB1 ALA 25 HB1 ALA 25 2.501 7.175 1.308 201 HB2 ALA 25 HB2 ALA 25 1.914 5.598 0.777 202 HB3 ALA 25 HB3 ALA 25 1.864 6.976 -0.324 203 H ILE 26 H ILE 26 3.237 6.716 -2.467 204 HA ILE 26 HA ILE 26 2.665 4.080 -3.351 205 HB ILE 26 HB ILE 26 2.659 4.992 -5.651 206 HG12 ILE 26 HG12 ILE 26 3.465 7.599 -4.336 207 HG13 ILE 26 HG13 ILE 26 4.494 6.628 -5.385 208 HG21 ILE 26 HG21 ILE 26 0.786 6.553 -5.340 209 HG22 ILE 26 HG22 ILE 26 1.185 6.669 -3.626 210 HG23 ILE 26 HG23 ILE 26 0.653 5.131 -4.304 211 HD11 ILE 26 HD11 ILE 26 2.935 7.004 -7.235 212 HD12 ILE 26 HD12 ILE 26 3.570 8.515 -6.588 213 HD13 ILE 26 HD13 ILE 26 1.933 7.999 -6.180 214 H GLU 27 H GLU 27 5.553 6.052 -3.403 215 HA GLU 27 HA GLU 27 7.152 4.425 -5.053 216 HB2 GLU 27 HB2 GLU 27 7.712 6.739 -4.301 217 HB3 GLU 27 HB3 GLU 27 7.996 6.113 -2.687 218 HG2 GLU 27 HG2 GLU 27 9.802 4.702 -3.601 219 HG3 GLU 27 HG3 GLU 27 9.553 5.462 -5.175 220 H LYS 28 H LYS 28 6.633 4.499 -1.545 221 HA LYS 28 HA LYS 28 8.341 2.336 -0.920 222 HB2 LYS 28 HB2 LYS 28 7.354 4.141 0.641 223 HB3 LYS 28 HB3 LYS 28 5.914 3.139 0.686 224 HG2 LYS 28 HG2 LYS 28 8.609 2.041 1.422 225 HG3 LYS 28 HG3 LYS 28 7.618 2.910 2.589 226 HD2 LYS 28 HD2 LYS 28 5.818 1.280 2.273 227 HD3 LYS 28 HD3 LYS 28 6.793 0.425 1.075 228 HE2 LYS 28 HE2 LYS 28 8.454 -0.107 2.753 229 HE3 LYS 28 HE3 LYS 28 7.586 0.845 3.956 230 HZ1 LYS 28 HZ1 LYS 28 5.743 -0.698 3.807 231 HZ2 LYS 28 HZ2 LYS 28 7.159 -1.517 4.206 232 HZ3 LYS 28 HZ3 LYS 28 6.552 -1.612 2.637 233 H GLY 29 H GLY 29 4.841 2.568 -1.613 234 HA2 GLY 29 HA2 GLY 29 4.155 -0.085 -1.109 235 HA3 GLY 29 HA3 GLY 29 3.319 1.009 -2.201 236 H GLU 30 H GLU 30 5.217 1.492 -4.043 237 HA GLU 30 HA GLU 30 4.961 -0.648 -5.819 238 HB2 GLU 30 HB2 GLU 30 5.392 1.638 -6.564 239 HB3 GLU 30 HB3 GLU 30 6.995 1.587 -5.846 240 HG2 GLU 30 HG2 GLU 30 7.660 -0.144 -7.410 241 HG3 GLU 30 HG3 GLU 30 6.042 -0.153 -8.107 242 H HIS 31 H HIS 31 7.743 0.338 -3.865 243 HA HIS 31 HA HIS 31 9.439 -1.727 -4.776 244 HB2 HIS 31 HB2 HIS 31 10.223 0.376 -3.685 245 HB3 HIS 31 HB3 HIS 31 9.632 -0.249 -2.148 246 HD1 HIS 31 HD1 HIS 31 11.564 -1.037 -0.813 247 HD2 HIS 31 HD2 HIS 31 12.030 -1.895 -4.851 248 HE1 HIS 31 HE1 HIS 31 13.729 -2.284 -0.995 249 HE2 HIS 31 HE2 HIS 31 14.106 -2.530 -3.469 250 H GLN 32 H GLN 32 7.272 -1.505 -1.974 251 HA GLN 32 HA GLN 32 8.132 -4.016 -0.913 252 HB2 GLN 32 HB2 GLN 32 6.350 -3.817 0.701 253 HB3 GLN 32 HB3 GLN 32 7.141 -2.271 0.524 254 HG2 GLN 32 HG2 GLN 32 4.925 -1.673 0.625 255 HG3 GLN 32 HG3 GLN 32 5.218 -1.730 -1.110 256 HE21 GLN 32 HE21 GLN 32 4.814 -4.582 0.912 257 HE22 GLN 32 HE22 GLN 32 3.308 -5.065 0.223 258 H LEU 33 H LEU 33 5.694 -3.073 -3.229 259 HA LEU 33 HA LEU 33 4.317 -5.549 -3.302 260 HB2 LEU 33 HB2 LEU 33 3.359 -3.538 -4.291 261 HB3 LEU 33 HB3 LEU 33 4.699 -3.400 -5.405 262 HG LEU 33 HG LEU 33 2.396 -4.274 -6.252 263 HD11 LEU 33 HD11 LEU 33 4.382 -4.194 -7.638 264 HD12 LEU 33 HD12 LEU 33 3.483 -5.682 -7.930 265 HD13 LEU 33 HD13 LEU 33 4.948 -5.716 -6.949 266 HD21 LEU 33 HD21 LEU 33 3.535 -6.839 -5.128 267 HD22 LEU 33 HD22 LEU 33 2.112 -6.697 -6.155 268 HD23 LEU 33 HD23 LEU 33 2.098 -6.007 -4.532 269 H LEU 34 H LEU 34 7.117 -4.263 -5.013 270 HA LEU 34 HA LEU 34 7.552 -6.517 -6.672 271 HB2 LEU 34 HB2 LEU 34 9.547 -4.496 -5.629 272 HB3 LEU 34 HB3 LEU 34 9.827 -5.611 -6.951 273 HG LEU 34 HG LEU 34 7.805 -3.366 -6.956 274 HD11 LEU 34 HD11 LEU 34 10.082 -2.531 -7.015 275 HD12 LEU 34 HD12 LEU 34 9.302 -2.319 -8.582 276 HD13 LEU 34 HD13 LEU 34 10.466 -3.623 -8.344 277 HD21 LEU 34 HD21 LEU 34 7.076 -5.232 -8.332 278 HD22 LEU 34 HD22 LEU 34 8.646 -5.281 -9.133 279 HD23 LEU 34 HD23 LEU 34 7.589 -3.886 -9.349 280 H TYR 35 H TYR 35 8.311 -5.722 -3.399 281 HA TYR 35 HA TYR 35 10.270 -7.745 -2.972 282 HB2 TYR 35 HB2 TYR 35 10.276 -5.832 -1.502 283 HB3 TYR 35 HB3 TYR 35 8.610 -6.140 -1.021 284 HD1 TYR 35 HD1 TYR 35 11.999 -7.692 -0.952 285 HD2 TYR 35 HD2 TYR 35 8.177 -7.398 0.875 286 HE1 TYR 35 HE1 TYR 35 12.786 -9.097 0.907 287 HE2 TYR 35 HE2 TYR 35 8.937 -8.800 2.731 288 HH TYR 35 HH TYR 35 12.215 -9.521 3.263 289 H LEU 36 H LEU 36 6.769 -7.473 -2.002 290 HA LEU 36 HA LEU 36 6.548 -10.020 -0.905 291 HB2 LEU 36 HB2 LEU 36 4.736 -7.904 -1.913 292 HB3 LEU 36 HB3 LEU 36 4.055 -9.511 -1.789 293 HG LEU 36 HG LEU 36 3.595 -8.026 0.162 294 HD11 LEU 36 HD11 LEU 36 3.451 -10.424 0.391 295 HD12 LEU 36 HD12 LEU 36 4.093 -9.701 1.866 296 HD13 LEU 36 HD13 LEU 36 5.177 -10.516 0.738 297 HD21 LEU 36 HD21 LEU 36 6.529 -8.372 0.727 298 HD22 LEU 36 HD22 LEU 36 5.348 -7.585 1.773 299 HD23 LEU 36 HD23 LEU 36 5.763 -6.870 0.214 300 H GLN 37 H GLN 37 6.265 -8.820 -4.182 301 HA GLN 37 HA GLN 37 5.080 -11.035 -5.397 302 HB2 GLN 37 HB2 GLN 37 5.490 -8.756 -6.395 303 HB3 GLN 37 HB3 GLN 37 7.164 -9.234 -6.634 304 HG2 GLN 37 HG2 GLN 37 6.462 -11.021 -8.113 305 HG3 GLN 37 HG3 GLN 37 4.771 -10.603 -7.822 306 HE21 GLN 37 HE21 GLN 37 3.924 -8.757 -8.725 307 HE22 GLN 37 HE22 GLN 37 4.704 -7.895 -10.001 308 H HIS 38 H HIS 38 8.412 -10.371 -4.483 309 HA HIS 38 HA HIS 38 9.546 -12.612 -5.805 310 HB2 HIS 38 HB2 HIS 38 10.492 -10.724 -3.702 311 HB3 HIS 38 HB3 HIS 38 11.372 -12.230 -3.944 312 HD1 HIS 38 HD1 HIS 38 10.401 -9.076 -5.753 313 HD2 HIS 38 HD2 HIS 38 12.959 -12.321 -6.186 314 HE1 HIS 38 HE1 HIS 38 11.820 -8.555 -7.734 315 HE2 HIS 38 HE2 HIS 38 13.547 -10.382 -7.784 316 H GLN 39 H GLN 39 8.410 -12.000 -2.498 317 HA GLN 39 HA GLN 39 8.986 -14.484 -1.392 318 HB2 GLN 39 HB2 GLN 39 6.785 -12.521 -0.786 319 HB3 GLN 39 HB3 GLN 39 7.010 -13.995 0.142 320 HG2 GLN 39 HG2 GLN 39 9.297 -13.250 0.698 321 HG3 GLN 39 HG3 GLN 39 8.978 -11.738 -0.155 322 HE21 GLN 39 HE21 GLN 39 9.590 -12.264 2.676 323 HE22 GLN 39 HE22 GLN 39 8.291 -11.555 3.564 324 H LEU 40 H LEU 40 6.040 -13.401 -3.073 325 HA LEU 40 HA LEU 40 4.532 -15.680 -2.986 326 HB2 LEU 40 HB2 LEU 40 3.684 -13.651 -3.940 327 HB3 LEU 40 HB3 LEU 40 4.887 -13.683 -5.214 328 HG LEU 40 HG LEU 40 3.812 -15.692 -6.162 329 HD11 LEU 40 HD11 LEU 40 1.698 -15.225 -4.065 330 HD12 LEU 40 HD12 LEU 40 2.845 -16.564 -4.083 331 HD13 LEU 40 HD13 LEU 40 1.642 -16.418 -5.363 332 HD21 LEU 40 HD21 LEU 40 1.835 -14.561 -7.033 333 HD22 LEU 40 HD22 LEU 40 3.218 -13.466 -6.973 334 HD23 LEU 40 HD23 LEU 40 1.952 -13.354 -5.751 335 H ASP 41 H ASP 41 7.085 -14.888 -5.387 336 HA ASP 41 HA ASP 41 6.844 -17.191 -6.950 337 HB2 ASP 41 HB2 ASP 41 8.125 -15.342 -7.766 338 HB3 ASP 41 HB3 ASP 41 9.182 -15.370 -6.360 339 H GLU 42 H GLU 42 8.616 -16.520 -4.023 340 HA GLU 42 HA GLU 42 10.141 -18.880 -3.861 341 HB2 GLU 42 HB2 GLU 42 10.629 -16.865 -2.558 342 HB3 GLU 42 HB3 GLU 42 9.106 -17.029 -1.701 343 HG2 GLU 42 HG2 GLU 42 10.773 -17.781 -0.240 344 HG3 GLU 42 HG3 GLU 42 9.966 -19.229 -0.843 345 H LEU 43 H LEU 43 6.860 -18.010 -2.621 346 HA LEU 43 HA LEU 43 6.498 -20.282 -1.048 347 HB2 LEU 43 HB2 LEU 43 5.269 -18.162 -0.820 348 HB3 LEU 43 HB3 LEU 43 4.496 -18.451 -2.365 349 HG LEU 43 HG LEU 43 3.494 -20.532 -1.362 350 HD11 LEU 43 HD11 LEU 43 5.055 -20.843 0.451 351 HD12 LEU 43 HD12 LEU 43 3.405 -20.696 1.054 352 HD13 LEU 43 HD13 LEU 43 4.519 -19.334 1.189 353 HD21 LEU 43 HD21 LEU 43 2.216 -18.470 -1.631 354 HD22 LEU 43 HD22 LEU 43 2.797 -17.902 -0.066 355 HD23 LEU 43 HD23 LEU 43 1.753 -19.321 -0.157 356 H ASN 44 H ASN 44 5.964 -19.634 -4.465 357 HA ASN 44 HA ASN 44 4.126 -21.682 -5.035 358 HB2 ASN 44 HB2 ASN 44 6.278 -20.541 -6.821 359 HB3 ASN 44 HB3 ASN 44 4.894 -21.469 -7.370 360 HD21 ASN 44 HD21 ASN 44 5.729 -18.799 -8.095 361 HD22 ASN 44 HD22 ASN 44 4.415 -17.753 -7.689 362 H GLU 45 H GLU 45 7.551 -21.683 -4.698 363 HA GLU 45 HA GLU 45 7.824 -24.417 -5.666 364 HB2 GLU 45 HB2 GLU 45 9.584 -22.742 -6.130 365 HB3 GLU 45 HB3 GLU 45 9.935 -22.664 -4.409 366 HG2 GLU 45 HG2 GLU 45 10.521 -25.054 -4.445 367 HG3 GLU 45 HG3 GLU 45 10.238 -25.077 -6.184 368 H ASN 46 H ASN 46 8.025 -22.752 -2.537 369 HA ASN 46 HA ASN 46 8.863 -25.149 -1.163 370 HB2 ASN 46 HB2 ASN 46 8.036 -22.445 -0.098 371 HB3 ASN 46 HB3 ASN 46 8.714 -23.750 0.869 372 HD21 ASN 46 HD21 ASN 46 9.717 -21.070 0.408 373 HD22 ASN 46 HD22 ASN 46 11.286 -21.241 -0.298 374 H LYS 47 H LYS 47 5.966 -23.403 -1.685 375 HA LYS 47 HA LYS 47 3.698 -23.710 -1.074 376 HB2 LYS 47 HB2 LYS 47 4.671 -26.567 -0.799 377 HB3 LYS 47 HB3 LYS 47 2.981 -26.088 -0.816 378 HG2 LYS 47 HG2 LYS 47 4.899 -25.587 -3.085 379 HG3 LYS 47 HG3 LYS 47 3.826 -26.981 -2.982 380 HD2 LYS 47 HD2 LYS 47 1.884 -25.424 -2.895 381 HD3 LYS 47 HD3 LYS 47 2.988 -24.071 -3.110 382 HE2 LYS 47 HE2 LYS 47 1.900 -24.781 -5.209 383 HE3 LYS 47 HE3 LYS 47 3.659 -24.884 -5.269 384 HZ1 LYS 47 HZ1 LYS 47 2.464 -26.826 -6.232 385 HZ2 LYS 47 HZ2 LYS 47 1.899 -27.204 -4.690 386 HZ3 LYS 47 HZ3 LYS 47 3.556 -27.236 -5.012 387 H SER 48 H SER 48 5.859 -23.337 0.944 388 HA SER 48 HA SER 48 5.269 -24.680 3.378 389 HB2 SER 48 HB2 SER 48 6.581 -21.980 3.045 390 HB3 SER 48 HB3 SER 48 6.728 -23.069 4.427 391 HG SER 48 HG SER 48 8.510 -23.368 3.148 392 H LYS 49 H LYS 49 3.552 -24.520 4.598 393 HA LYS 49 HA LYS 49 1.465 -22.730 4.294 394 HB2 LYS 49 HB2 LYS 49 0.827 -23.603 6.599 395 HB3 LYS 49 HB3 LYS 49 1.029 -24.795 5.321 396 HG2 LYS 49 HG2 LYS 49 3.336 -25.207 6.149 397 HG3 LYS 49 HG3 LYS 49 2.994 -24.124 7.496 398 HD2 LYS 49 HD2 LYS 49 1.355 -25.564 8.338 399 HD3 LYS 49 HD3 LYS 49 1.343 -26.535 6.858 400 HE2 LYS 49 HE2 LYS 49 3.622 -27.251 7.280 401 HE3 LYS 49 HE3 LYS 49 3.705 -26.233 8.713 402 HZ1 LYS 49 HZ1 LYS 49 3.288 -28.529 9.309 403 HZ2 LYS 49 HZ2 LYS 49 1.903 -28.567 8.349 404 HZ3 LYS 49 HZ3 LYS 49 1.951 -27.578 9.717 405 H GLU 50 H GLU 50 4.072 -22.780 6.698 406 HA GLU 50 HA GLU 50 3.237 -20.515 8.144 407 HB2 GLU 50 HB2 GLU 50 5.549 -20.493 9.044 408 HB3 GLU 50 HB3 GLU 50 4.801 -22.084 9.110 409 HG2 GLU 50 HG2 GLU 50 5.993 -22.572 6.937 410 HG3 GLU 50 HG3 GLU 50 6.919 -21.103 7.226 411 H LEU 51 H LEU 51 5.312 -20.857 5.369 412 HA LEU 51 HA LEU 51 6.196 -18.162 5.268 413 HB2 LEU 51 HB2 LEU 51 7.278 -19.998 4.005 414 HB3 LEU 51 HB3 LEU 51 5.851 -20.125 2.997 415 HG LEU 51 HG LEU 51 6.261 -17.815 2.179 416 HD11 LEU 51 HD11 LEU 51 8.454 -16.798 2.577 417 HD12 LEU 51 HD12 LEU 51 8.828 -18.075 3.736 418 HD13 LEU 51 HD13 LEU 51 7.514 -16.943 4.063 419 HD21 LEU 51 HD21 LEU 51 8.536 -19.761 1.802 420 HD22 LEU 51 HD22 LEU 51 8.153 -18.400 0.745 421 HD23 LEU 51 HD23 LEU 51 7.019 -19.740 0.902 422 H GLN 52 H GLN 52 3.510 -19.921 3.803 423 HA GLN 52 HA GLN 52 2.383 -17.851 2.316 424 HB2 GLN 52 HB2 GLN 52 1.589 -20.063 1.961 425 HB3 GLN 52 HB3 GLN 52 1.162 -20.260 3.653 426 HG2 GLN 52 HG2 GLN 52 -0.637 -18.651 3.412 427 HG3 GLN 52 HG3 GLN 52 -0.184 -18.375 1.733 428 HE21 GLN 52 HE21 GLN 52 -0.714 -19.879 0.193 429 HE22 GLN 52 HE22 GLN 52 -1.785 -21.195 0.499 430 H GLU 53 H GLU 53 1.755 -18.821 5.705 431 HA GLU 53 HA GLU 53 -0.225 -16.911 6.159 432 HB2 GLU 53 HB2 GLU 53 1.623 -18.302 8.097 433 HB3 GLU 53 HB3 GLU 53 0.227 -17.339 8.569 434 HG2 GLU 53 HG2 GLU 53 -1.181 -18.881 7.177 435 HG3 GLU 53 HG3 GLU 53 0.241 -19.903 7.000 436 H LYS 54 H LYS 54 3.296 -16.766 6.717 437 HA LYS 54 HA LYS 54 3.381 -14.223 7.880 438 HB2 LYS 54 HB2 LYS 54 5.354 -15.721 6.156 439 HB3 LYS 54 HB3 LYS 54 5.726 -14.171 6.892 440 HG2 LYS 54 HG2 LYS 54 4.837 -16.550 8.493 441 HG3 LYS 54 HG3 LYS 54 6.530 -16.232 8.112 442 HD2 LYS 54 HD2 LYS 54 4.916 -14.023 9.295 443 HD3 LYS 54 HD3 LYS 54 5.413 -15.343 10.350 444 HE2 LYS 54 HE2 LYS 54 7.018 -13.489 10.399 445 HE3 LYS 54 HE3 LYS 54 7.746 -14.961 9.766 446 HZ1 LYS 54 HZ1 LYS 54 8.408 -13.046 8.476 447 HZ2 LYS 54 HZ2 LYS 54 6.801 -12.641 8.143 448 HZ3 LYS 54 HZ3 LYS 54 7.466 -14.068 7.521 449 H ILE 55 H ILE 55 3.538 -15.233 4.569 450 HA ILE 55 HA ILE 55 3.981 -12.709 3.384 451 HB ILE 55 HB ILE 55 2.622 -15.129 2.179 452 HG12 ILE 55 HG12 ILE 55 5.422 -14.028 1.835 453 HG13 ILE 55 HG13 ILE 55 4.996 -15.409 2.840 454 HG21 ILE 55 HG21 ILE 55 2.977 -14.080 0.000 455 HG22 ILE 55 HG22 ILE 55 3.627 -12.644 0.787 456 HG23 ILE 55 HG23 ILE 55 1.933 -13.080 1.011 457 HD11 ILE 55 HD11 ILE 55 4.260 -16.626 0.866 458 HD12 ILE 55 HD12 ILE 55 5.936 -16.103 0.706 459 HD13 ILE 55 HD13 ILE 55 4.656 -15.238 -0.146 460 H ILE 56 H ILE 56 0.897 -14.460 3.822 461 HA ILE 56 HA ILE 56 -0.624 -12.304 2.771 462 HB ILE 56 HB ILE 56 -1.438 -14.625 2.670 463 HG12 ILE 56 HG12 ILE 56 -3.794 -14.181 3.352 464 HG13 ILE 56 HG13 ILE 56 -3.248 -12.726 4.177 465 HG21 ILE 56 HG21 ILE 56 -1.842 -14.371 5.641 466 HG22 ILE 56 HG22 ILE 56 -0.687 -15.420 4.824 467 HG23 ILE 56 HG23 ILE 56 -2.419 -15.699 4.634 468 HD11 ILE 56 HD11 ILE 56 -4.211 -12.242 1.984 469 HD12 ILE 56 HD12 ILE 56 -2.989 -13.261 1.224 470 HD13 ILE 56 HD13 ILE 56 -2.510 -11.786 2.063 471 H ARG 57 H ARG 57 0.328 -13.168 6.056 472 HA ARG 57 HA ARG 57 -1.476 -11.425 7.398 473 HB2 ARG 57 HB2 ARG 57 0.858 -13.048 8.121 474 HB3 ARG 57 HB3 ARG 57 0.702 -11.581 9.071 475 HG2 ARG 57 HG2 ARG 57 -0.364 -13.362 10.244 476 HG3 ARG 57 HG3 ARG 57 -1.615 -12.270 9.654 477 HD2 ARG 57 HD2 ARG 57 -2.257 -13.774 7.950 478 HD3 ARG 57 HD3 ARG 57 -0.799 -14.749 8.158 479 HE ARG 57 HE ARG 57 -2.397 -14.639 10.527 480 HH11 ARG 57 HH11 ARG 57 -2.154 -16.233 7.416 481 HH12 ARG 57 HH12 ARG 57 -2.844 -17.715 7.977 482 HH21 ARG 57 HH21 ARG 57 -3.321 -16.605 11.268 483 HH22 ARG 57 HH22 ARG 57 -3.521 -17.924 10.168 484 H GLU 58 H GLU 58 1.971 -11.058 6.553 485 HA GLU 58 HA GLU 58 2.042 -8.378 7.501 486 HB2 GLU 58 HB2 GLU 58 3.987 -9.837 5.708 487 HB3 GLU 58 HB3 GLU 58 4.279 -8.268 6.453 488 HG2 GLU 58 HG2 GLU 58 4.023 -9.306 8.674 489 HG3 GLU 58 HG3 GLU 58 3.820 -10.872 7.897 490 H LEU 59 H LEU 59 1.352 -9.834 4.418 491 HA LEU 59 HA LEU 59 1.506 -7.515 2.804 492 HB2 LEU 59 HB2 LEU 59 1.308 -9.748 1.836 493 HB3 LEU 59 HB3 LEU 59 -0.270 -9.950 2.566 494 HG LEU 59 HG LEU 59 -1.158 -8.165 1.110 495 HD11 LEU 59 HD11 LEU 59 0.905 -6.891 0.791 496 HD12 LEU 59 HD12 LEU 59 0.177 -7.337 -0.752 497 HD13 LEU 59 HD13 LEU 59 1.578 -8.220 -0.153 498 HD21 LEU 59 HD21 LEU 59 -1.325 -10.493 0.426 499 HD22 LEU 59 HD22 LEU 59 0.257 -10.390 -0.345 500 HD23 LEU 59 HD23 LEU 59 -1.092 -9.442 -0.971 501 H ASP 60 H ASP 60 -1.076 -8.961 4.708 502 HA ASP 60 HA ASP 60 -3.150 -7.205 4.041 503 HB2 ASP 60 HB2 ASP 60 -3.652 -9.275 5.128 504 HB3 ASP 60 HB3 ASP 60 -2.647 -8.859 6.510 505 H VAL 61 H VAL 61 -0.771 -7.059 6.686 506 HA VAL 61 HA VAL 61 -1.804 -4.809 7.993 507 HB VAL 61 HB VAL 61 1.074 -5.720 7.792 508 HG11 VAL 61 HG11 VAL 61 1.411 -4.485 9.897 509 HG12 VAL 61 HG12 VAL 61 -0.231 -3.851 9.767 510 HG13 VAL 61 HG13 VAL 61 0.976 -3.425 8.556 511 HG21 VAL 61 HG21 VAL 61 0.647 -6.793 9.969 512 HG22 VAL 61 HG22 VAL 61 -0.367 -7.455 8.688 513 HG23 VAL 61 HG23 VAL 61 -1.048 -6.318 9.852 514 H VAL 62 H VAL 62 0.581 -5.076 5.392 515 HA VAL 62 HA VAL 62 1.142 -2.301 5.223 516 HB VAL 62 HB VAL 62 1.450 -4.412 3.071 517 HG11 VAL 62 HG11 VAL 62 1.516 -2.152 2.161 518 HG12 VAL 62 HG12 VAL 62 3.117 -2.886 2.116 519 HG13 VAL 62 HG13 VAL 62 2.729 -1.694 3.356 520 HG21 VAL 62 HG21 VAL 62 3.769 -4.559 3.814 521 HG22 VAL 62 HG22 VAL 62 2.662 -4.986 5.118 522 HG23 VAL 62 HG23 VAL 62 3.440 -3.403 5.103 523 H CYS 63 H CYS 63 -1.179 -4.396 3.637 524 HA CYS 63 HA CYS 63 -2.109 -2.510 1.737 525 HB2 CYS 63 HB2 CYS 63 -3.565 -4.849 2.991 526 HB3 CYS 63 HB3 CYS 63 -4.153 -3.931 1.609 527 HG CYS 63 HG CYS 63 -1.359 -5.892 1.717 528 H ALA 64 H ALA 64 -3.086 -3.245 5.077 529 HA ALA 64 HA ALA 64 -5.362 -1.622 5.174 530 HB1 ALA 64 HB1 ALA 64 -5.126 -1.888 7.596 531 HB2 ALA 64 HB2 ALA 64 -3.493 -2.519 7.360 532 HB3 ALA 64 HB3 ALA 64 -4.880 -3.418 6.752 533 H MET 65 H MET 65 -1.995 -1.000 6.232 534 HA MET 65 HA MET 65 -2.545 1.599 7.195 535 HB2 MET 65 HB2 MET 65 -0.185 1.927 7.375 536 HB3 MET 65 HB3 MET 65 -0.501 0.240 7.756 537 HG2 MET 65 HG2 MET 65 0.213 -0.406 5.519 538 HG3 MET 65 HG3 MET 65 0.503 1.285 5.121 539 HE1 MET 65 HE1 MET 65 2.931 -1.199 8.139 540 HE2 MET 65 HE2 MET 65 1.610 -1.804 7.133 541 HE3 MET 65 HE3 MET 65 1.272 -0.685 8.452 542 H ILE 66 H ILE 66 -1.653 0.386 4.034 543 HA ILE 66 HA ILE 66 -1.167 2.897 2.835 544 HB ILE 66 HB ILE 66 -1.464 0.116 1.888 545 HG12 ILE 66 HG12 ILE 66 0.465 0.741 0.492 546 HG13 ILE 66 HG13 ILE 66 0.273 2.419 0.977 547 HG21 ILE 66 HG21 ILE 66 -2.095 2.372 -0.011 548 HG22 ILE 66 HG22 ILE 66 -3.197 1.093 0.500 549 HG23 ILE 66 HG23 ILE 66 -1.781 0.698 -0.474 550 HD11 ILE 66 HD11 ILE 66 2.093 1.281 2.165 551 HD12 ILE 66 HD12 ILE 66 0.927 0.145 2.847 552 HD13 ILE 66 HD13 ILE 66 0.835 1.856 3.255 553 H GLU 67 H GLU 67 -4.103 0.902 3.098 554 HA GLU 67 HA GLU 67 -5.705 2.522 1.429 555 HB2 GLU 67 HB2 GLU 67 -6.440 0.613 3.634 556 HB3 GLU 67 HB3 GLU 67 -7.614 1.399 2.594 557 HG2 GLU 67 HG2 GLU 67 -6.533 0.333 0.642 558 HG3 GLU 67 HG3 GLU 67 -5.463 -0.525 1.751 559 H GLY 68 H GLY 68 -5.019 2.569 4.877 560 HA2 GLY 68 HA2 GLY 68 -7.034 4.424 5.585 561 HA3 GLY 68 HA3 GLY 68 -5.609 4.026 6.532 562 H ALA 69 H ALA 69 -3.570 4.833 4.898 563 HA ALA 69 HA ALA 69 -3.603 7.632 5.362 564 HB1 ALA 69 HB1 ALA 69 -1.559 6.290 5.547 565 HB2 ALA 69 HB2 ALA 69 -1.360 7.628 4.415 566 HB3 ALA 69 HB3 ALA 69 -1.604 5.989 3.810 567 H GLN 70 H GLN 70 -3.916 5.652 2.474 568 HA GLN 70 HA GLN 70 -3.739 7.857 0.654 569 HB2 GLN 70 HB2 GLN 70 -4.345 6.426 -1.103 570 HB3 GLN 70 HB3 GLN 70 -3.422 5.424 -0.001 571 HG2 GLN 70 HG2 GLN 70 -5.381 4.355 0.788 572 HG3 GLN 70 HG3 GLN 70 -6.421 5.500 -0.061 573 HE21 GLN 70 HE21 GLN 70 -6.475 5.438 -2.335 574 HE22 GLN 70 HE22 GLN 70 -6.070 3.989 -3.200 575 H GLY 71 H GLY 71 -6.370 6.300 2.320 576 HA2 GLY 71 HA2 GLY 71 -8.476 7.723 1.016 577 HA3 GLY 71 HA3 GLY 71 -8.611 6.868 2.547 578 H ALA 72 H ALA 72 -6.651 8.262 3.945 579 HA ALA 72 HA ALA 72 -8.180 10.446 4.934 580 HB1 ALA 72 HB1 ALA 72 -6.280 10.816 6.439 581 HB2 ALA 72 HB2 ALA 72 -5.315 9.681 5.501 582 HB3 ALA 72 HB3 ALA 72 -6.730 9.113 6.384 583 H LEU 73 H LEU 73 -5.010 10.269 3.338 584 HA LEU 73 HA LEU 73 -4.553 12.979 3.031 585 HB2 LEU 73 HB2 LEU 73 -2.893 11.201 2.674 586 HB3 LEU 73 HB3 LEU 73 -3.723 10.734 1.204 587 HG LEU 73 HG LEU 73 -3.266 13.091 0.375 588 HD11 LEU 73 HD11 LEU 73 -2.710 14.115 2.495 589 HD12 LEU 73 HD12 LEU 73 -1.353 14.230 1.375 590 HD13 LEU 73 HD13 LEU 73 -1.326 13.038 2.673 591 HD21 LEU 73 HD21 LEU 73 -0.980 12.503 -0.305 592 HD22 LEU 73 HD22 LEU 73 -2.116 11.165 -0.493 593 HD23 LEU 73 HD23 LEU 73 -0.991 11.185 0.867 594 H GLU 74 H GLU 74 -6.255 10.721 0.900 595 HA GLU 74 HA GLU 74 -6.663 12.326 -1.328 596 HB2 GLU 74 HB2 GLU 74 -7.429 9.815 -0.512 597 HB3 GLU 74 HB3 GLU 74 -8.966 10.664 -0.550 598 HG2 GLU 74 HG2 GLU 74 -7.067 10.677 -2.872 599 HG3 GLU 74 HG3 GLU 74 -8.260 9.402 -2.643 600 H ARG 75 H ARG 75 -8.712 11.945 1.530 601 HA ARG 75 HA ARG 75 -10.734 13.756 0.893 602 HB2 ARG 75 HB2 ARG 75 -10.745 12.128 2.782 603 HB3 ARG 75 HB3 ARG 75 -9.603 13.154 3.632 604 HG2 ARG 75 HG2 ARG 75 -11.759 13.567 4.529 605 HG3 ARG 75 HG3 ARG 75 -11.310 14.973 3.562 606 HD2 ARG 75 HD2 ARG 75 -12.702 14.244 1.750 607 HD3 ARG 75 HD3 ARG 75 -13.027 12.712 2.557 608 HE ARG 75 HE ARG 75 -13.973 15.336 3.501 609 HH11 ARG 75 HH11 ARG 75 -14.368 11.855 3.191 610 HH12 ARG 75 HH12 ARG 75 -15.907 11.834 3.973 611 HH21 ARG 75 HH21 ARG 75 -16.015 15.296 4.559 612 HH22 ARG 75 HH22 ARG 75 -16.844 13.788 4.755 613 H GLU 76 H GLU 76 -7.651 14.288 2.551 614 HA GLU 76 HA GLU 76 -8.123 17.041 3.081 615 HB2 GLU 76 HB2 GLU 76 -5.572 15.438 3.073 616 HB3 GLU 76 HB3 GLU 76 -5.666 17.121 3.569 617 HG2 GLU 76 HG2 GLU 76 -7.286 16.466 5.319 618 HG3 GLU 76 HG3 GLU 76 -7.049 14.783 4.855 619 H LEU 77 H LEU 77 -5.887 15.480 0.704 620 HA LEU 77 HA LEU 77 -5.112 17.839 -0.485 621 HB2 LEU 77 HB2 LEU 77 -4.354 16.491 -2.409 622 HB3 LEU 77 HB3 LEU 77 -3.827 15.877 -0.864 623 HG LEU 77 HG LEU 77 -5.678 14.145 -1.046 624 HD11 LEU 77 HD11 LEU 77 -6.517 13.642 -3.281 625 HD12 LEU 77 HD12 LEU 77 -5.730 15.090 -3.910 626 HD13 LEU 77 HD13 LEU 77 -7.046 15.238 -2.745 627 HD21 LEU 77 HD21 LEU 77 -3.530 14.104 -3.161 628 HD22 LEU 77 HD22 LEU 77 -4.363 12.705 -2.485 629 HD23 LEU 77 HD23 LEU 77 -3.300 13.678 -1.469 630 H LYS 78 H LYS 78 -8.169 16.376 -0.737 631 HA LYS 78 HA LYS 78 -8.790 17.122 -3.385 632 HB2 LYS 78 HB2 LYS 78 -10.218 16.131 -1.013 633 HB3 LYS 78 HB3 LYS 78 -11.197 17.015 -2.193 634 HG2 LYS 78 HG2 LYS 78 -9.385 14.727 -2.915 635 HG3 LYS 78 HG3 LYS 78 -11.091 14.515 -2.494 636 HD2 LYS 78 HD2 LYS 78 -11.768 15.861 -4.363 637 HD3 LYS 78 HD3 LYS 78 -10.098 16.313 -4.704 638 HE2 LYS 78 HE2 LYS 78 -11.028 14.548 -6.209 639 HE3 LYS 78 HE3 LYS 78 -9.549 14.098 -5.365 640 HZ1 LYS 78 HZ1 LYS 78 -10.710 12.707 -3.919 641 HZ2 LYS 78 HZ2 LYS 78 -11.423 12.407 -5.423 642 HZ3 LYS 78 HZ3 LYS 78 -12.212 13.390 -4.302 643 H ARG 79 H ARG 79 -8.209 18.946 -0.657 644 HA ARG 79 HA ARG 79 -10.090 21.002 -0.778 645 HB2 ARG 79 HB2 ARG 79 -8.435 20.629 1.054 646 HB3 ARG 79 HB3 ARG 79 -7.181 21.251 -0.004 647 HG2 ARG 79 HG2 ARG 79 -7.832 22.995 1.477 648 HG3 ARG 79 HG3 ARG 79 -8.445 23.392 -0.130 649 HD2 ARG 79 HD2 ARG 79 -10.649 22.464 0.541 650 HD3 ARG 79 HD3 ARG 79 -10.014 22.221 2.165 651 HE ARG 79 HE ARG 79 -10.099 24.884 0.922 652 HH11 ARG 79 HH11 ARG 79 -10.902 22.747 3.590 653 HH12 ARG 79 HH12 ARG 79 -11.505 24.020 4.592 654 HH21 ARG 79 HH21 ARG 79 -10.910 26.554 2.238 655 HH22 ARG 79 HH22 ARG 79 -11.512 26.194 3.818 656 H THR 80 H THR 80 -7.367 20.319 -2.831 657 HA THR 80 HA THR 80 -7.169 22.943 -3.933 658 HB THR 80 HB THR 80 -6.169 20.343 -5.115 659 HG1 THR 80 HG1 THR 80 -4.426 20.567 -3.826 660 HG21 THR 80 HG21 THR 80 -6.179 22.238 -6.683 661 HG22 THR 80 HG22 THR 80 -4.531 21.797 -6.238 662 HG23 THR 80 HG23 THR 80 -5.292 23.214 -5.512 663 H ASP 81 H ASP 81 -9.001 23.610 -4.693 664 HA ASP 81 HA ASP 81 -10.855 22.129 -6.261 665 HB2 ASP 81 HB2 ASP 81 -10.546 25.080 -5.801 666 HB3 ASP 81 HB3 ASP 81 -11.745 24.457 -6.928 667 H LEU 82 H LEU 82 -8.342 24.415 -7.206 668 HA LEU 82 HA LEU 82 -8.319 23.168 -9.845 669 HB2 LEU 82 HB2 LEU 82 -9.943 25.063 -9.930 670 HB3 LEU 82 HB3 LEU 82 -8.648 26.155 -9.501 671 HG LEU 82 HG LEU 82 -8.447 24.481 -11.996 672 HD11 LEU 82 HD11 LEU 82 -9.865 27.128 -11.723 673 HD12 LEU 82 HD12 LEU 82 -10.611 25.581 -12.126 674 HD13 LEU 82 HD13 LEU 82 -9.469 26.327 -13.242 675 HD21 LEU 82 HD21 LEU 82 -6.455 25.707 -11.243 676 HD22 LEU 82 HD22 LEU 82 -7.379 27.210 -11.248 677 HD23 LEU 82 HD23 LEU 82 -7.075 26.357 -12.761 678 H ASN 83 H ASN 83 -6.418 23.109 -10.782 679 HA ASN 83 HA ASN 83 -4.231 24.762 -10.655 680 HB2 ASN 83 HB2 ASN 83 -4.485 23.597 -8.147 681 HB3 ASN 83 HB3 ASN 83 -3.316 22.567 -8.970 682 HD21 ASN 83 HD21 ASN 83 -1.361 23.469 -9.687 683 HD22 ASN 83 HD22 ASN 83 -0.783 24.956 -9.050 684 H ILE 84 H ILE 84 -3.341 24.161 -12.493 685 HA ILE 84 HA ILE 84 -3.981 21.817 -13.850 686 HB ILE 84 HB ILE 84 -1.710 23.760 -14.294 687 HG12 ILE 84 HG12 ILE 84 -3.113 24.342 -16.324 688 HG13 ILE 84 HG13 ILE 84 -4.383 23.339 -15.645 689 HG21 ILE 84 HG21 ILE 84 -2.533 21.476 -16.079 690 HG22 ILE 84 HG22 ILE 84 -1.014 21.616 -15.194 691 HG23 ILE 84 HG23 ILE 84 -1.380 22.742 -16.502 692 HD11 ILE 84 HD11 ILE 84 -4.741 25.713 -15.216 693 HD12 ILE 84 HD12 ILE 84 -3.205 25.792 -14.351 694 HD13 ILE 84 HD13 ILE 84 -4.528 24.812 -13.717 695 H LEU 85 H LEU 85 -1.092 22.578 -11.944 696 HA LEU 85 HA LEU 85 0.284 20.183 -12.653 697 HB2 LEU 85 HB2 LEU 85 0.934 22.586 -11.432 698 HB3 LEU 85 HB3 LEU 85 1.067 21.420 -10.133 699 HG LEU 85 HG LEU 85 2.579 21.395 -12.746 700 HD11 LEU 85 HD11 LEU 85 3.395 23.026 -11.167 701 HD12 LEU 85 HD12 LEU 85 4.529 21.684 -11.292 702 HD13 LEU 85 HD13 LEU 85 3.456 21.805 -9.898 703 HD21 LEU 85 HD21 LEU 85 3.753 19.440 -11.870 704 HD22 LEU 85 HD22 LEU 85 2.034 19.106 -12.072 705 HD23 LEU 85 HD23 LEU 85 2.688 19.425 -10.466 706 H GLU 86 H GLU 86 -1.437 21.297 -9.747 707 HA GLU 86 HA GLU 86 -1.044 18.975 -8.252 708 HB2 GLU 86 HB2 GLU 86 -3.302 20.963 -8.051 709 HB3 GLU 86 HB3 GLU 86 -2.918 19.737 -6.854 710 HG2 GLU 86 HG2 GLU 86 -1.217 22.077 -7.658 711 HG3 GLU 86 HG3 GLU 86 -2.016 21.812 -6.109 712 H ARG 87 H ARG 87 -3.725 19.849 -10.502 713 HA ARG 87 HA ARG 87 -5.323 17.660 -9.965 714 HB2 ARG 87 HB2 ARG 87 -6.008 19.573 -11.353 715 HB3 ARG 87 HB3 ARG 87 -4.863 19.085 -12.592 716 HG2 ARG 87 HG2 ARG 87 -7.063 18.402 -13.248 717 HG3 ARG 87 HG3 ARG 87 -6.116 16.967 -12.858 718 HD2 ARG 87 HD2 ARG 87 -8.390 16.832 -11.957 719 HD3 ARG 87 HD3 ARG 87 -7.180 16.841 -10.674 720 HE ARG 87 HE ARG 87 -7.810 19.050 -10.121 721 HH11 ARG 87 HH11 ARG 87 -9.812 17.673 -12.653 722 HH12 ARG 87 HH12 ARG 87 -11.122 18.768 -12.391 723 HH21 ARG 87 HH21 ARG 87 -9.548 20.523 -9.781 724 HH22 ARG 87 HH22 ARG 87 -10.966 20.400 -10.756 725 H PHE 88 H PHE 88 -2.719 18.078 -12.329 726 HA PHE 88 HA PHE 88 -2.802 15.523 -13.461 727 HB2 PHE 88 HB2 PHE 88 -1.598 17.311 -14.542 728 HB3 PHE 88 HB3 PHE 88 -0.526 17.492 -13.159 729 HD1 PHE 88 HD1 PHE 88 -1.539 15.053 -15.778 730 HD2 PHE 88 HD2 PHE 88 1.498 16.389 -13.115 731 HE1 PHE 88 HE1 PHE 88 0.049 13.483 -16.810 732 HE2 PHE 88 HE2 PHE 88 3.092 14.818 -14.139 733 HZ PHE 88 HZ PHE 88 2.368 13.363 -15.989 734 H ASN 89 H ASN 89 -1.066 16.775 -10.676 735 HA ASN 89 HA ASN 89 0.462 14.452 -10.138 736 HB2 ASN 89 HB2 ASN 89 -0.435 16.694 -8.320 737 HB3 ASN 89 HB3 ASN 89 0.637 15.399 -7.805 738 HD21 ASN 89 HD21 ASN 89 1.124 18.255 -7.908 739 HD22 ASN 89 HD22 ASN 89 2.489 18.470 -8.939 740 H TYR 90 H TYR 90 -2.553 15.639 -8.681 741 HA TYR 90 HA TYR 90 -3.102 13.549 -6.947 742 HB2 TYR 90 HB2 TYR 90 -4.976 15.301 -8.532 743 HB3 TYR 90 HB3 TYR 90 -5.530 14.175 -7.308 744 HD1 TYR 90 HD1 TYR 90 -2.407 15.578 -6.333 745 HD2 TYR 90 HD2 TYR 90 -6.574 16.412 -6.540 746 HE1 TYR 90 HE1 TYR 90 -2.140 17.324 -4.623 747 HE2 TYR 90 HE2 TYR 90 -6.313 18.148 -4.848 748 HH TYR 90 HH TYR 90 -4.799 18.734 -3.055 749 H GLU 91 H GLU 91 -4.319 13.938 -10.264 750 HA GLU 91 HA GLU 91 -5.669 11.486 -10.359 751 HB2 GLU 91 HB2 GLU 91 -5.888 11.827 -12.722 752 HB3 GLU 91 HB3 GLU 91 -6.062 13.376 -11.918 753 HG2 GLU 91 HG2 GLU 91 -3.829 13.999 -12.561 754 HG3 GLU 91 HG3 GLU 91 -3.560 12.409 -13.273 755 H GLU 92 H GLU 92 -2.339 12.317 -11.200 756 HA GLU 92 HA GLU 92 -1.703 9.817 -12.353 757 HB2 GLU 92 HB2 GLU 92 -0.353 11.925 -12.609 758 HB3 GLU 92 HB3 GLU 92 0.226 11.681 -10.968 759 HG2 GLU 92 HG2 GLU 92 1.904 10.820 -12.373 760 HG3 GLU 92 HG3 GLU 92 1.049 9.419 -11.726 761 H ALA 93 H ALA 93 -1.248 11.092 -9.011 762 HA ALA 93 HA ALA 93 0.019 8.856 -7.982 763 HB1 ALA 93 HB1 ALA 93 -0.103 11.021 -6.836 764 HB2 ALA 93 HB2 ALA 93 -0.680 9.713 -5.804 765 HB3 ALA 93 HB3 ALA 93 -1.835 10.790 -6.589 766 H GLN 94 H GLN 94 -3.423 9.653 -8.229 767 HA GLN 94 HA GLN 94 -4.326 7.316 -6.903 768 HB2 GLN 94 HB2 GLN 94 -5.731 9.188 -8.806 769 HB3 GLN 94 HB3 GLN 94 -6.534 7.868 -7.962 770 HG2 GLN 94 HG2 GLN 94 -5.911 8.861 -5.818 771 HG3 GLN 94 HG3 GLN 94 -5.127 10.191 -6.665 772 HE21 GLN 94 HE21 GLN 94 -6.448 11.707 -5.715 773 HE22 GLN 94 HE22 GLN 94 -8.109 11.893 -6.129 774 H THR 95 H THR 95 -3.598 8.038 -10.239 775 HA THR 95 HA THR 95 -4.549 5.693 -11.416 776 HB THR 95 HB THR 95 -2.081 7.296 -12.137 777 HG1 THR 95 HG1 THR 95 -3.930 8.545 -12.329 778 HG21 THR 95 HG21 THR 95 -2.030 5.023 -13.095 779 HG22 THR 95 HG22 THR 95 -2.237 6.261 -14.334 780 HG23 THR 95 HG23 THR 95 -3.620 5.299 -13.808 781 H LEU 96 H LEU 96 -1.384 6.406 -9.955 782 HA LEU 96 HA LEU 96 -0.353 3.794 -10.440 783 HB2 LEU 96 HB2 LEU 96 0.619 5.895 -8.503 784 HB3 LEU 96 HB3 LEU 96 1.514 4.482 -9.023 785 HG LEU 96 HG LEU 96 0.707 6.806 -10.772 786 HD11 LEU 96 HD11 LEU 96 3.130 7.220 -10.892 787 HD12 LEU 96 HD12 LEU 96 3.383 5.954 -9.690 788 HD13 LEU 96 HD13 LEU 96 2.482 7.410 -9.264 789 HD21 LEU 96 HD21 LEU 96 2.107 5.721 -12.483 790 HD22 LEU 96 HD22 LEU 96 0.699 4.753 -12.052 791 HD23 LEU 96 HD23 LEU 96 2.291 4.322 -11.423 792 H SER 97 H SER 97 -1.958 5.410 -7.782 793 HA SER 97 HA SER 97 -1.575 3.571 -5.748 794 HB2 SER 97 HB2 SER 97 -2.606 5.741 -5.349 795 HB3 SER 97 HB3 SER 97 -3.993 5.294 -6.341 796 HG SER 97 HG SER 97 -3.246 3.830 -4.032 797 H LYS 98 H LYS 98 -4.227 3.717 -8.140 798 HA LYS 98 HA LYS 98 -5.525 1.407 -7.252 799 HB2 LYS 98 HB2 LYS 98 -5.561 2.854 -9.895 800 HB3 LYS 98 HB3 LYS 98 -6.583 1.465 -9.555 801 HG2 LYS 98 HG2 LYS 98 -7.550 2.723 -7.639 802 HG3 LYS 98 HG3 LYS 98 -6.612 4.128 -8.149 803 HD2 LYS 98 HD2 LYS 98 -8.587 2.689 -9.920 804 HD3 LYS 98 HD3 LYS 98 -8.991 4.102 -8.948 805 HE2 LYS 98 HE2 LYS 98 -6.809 4.043 -11.030 806 HE3 LYS 98 HE3 LYS 98 -8.451 4.613 -11.334 807 HZ1 LYS 98 HZ1 LYS 98 -7.026 6.450 -10.869 808 HZ2 LYS 98 HZ2 LYS 98 -6.504 5.756 -9.416 809 HZ3 LYS 98 HZ3 LYS 98 -8.106 6.269 -9.583 810 H ILE 99 H ILE 99 -2.885 1.905 -9.556 811 HA ILE 99 HA ILE 99 -2.947 -0.681 -10.686 812 HB ILE 99 HB ILE 99 -0.630 1.242 -10.371 813 HG12 ILE 99 HG12 ILE 99 -2.365 0.621 -12.773 814 HG13 ILE 99 HG13 ILE 99 -2.535 2.045 -11.754 815 HG21 ILE 99 HG21 ILE 99 -0.829 -1.232 -12.093 816 HG22 ILE 99 HG22 ILE 99 0.160 -1.064 -10.644 817 HG23 ILE 99 HG23 ILE 99 0.517 -0.089 -12.072 818 HD11 ILE 99 HD11 ILE 99 -0.127 1.341 -13.418 819 HD12 ILE 99 HD12 ILE 99 -0.299 2.773 -12.402 820 HD13 ILE 99 HD13 ILE 99 -1.344 2.557 -13.807 821 H LEU 100 H LEU 100 -1.198 0.738 -7.966 822 HA LEU 100 HA LEU 100 0.278 -1.546 -7.240 823 HB2 LEU 100 HB2 LEU 100 -0.657 0.760 -5.532 824 HB3 LEU 100 HB3 LEU 100 0.530 -0.431 -5.041 825 HG LEU 100 HG LEU 100 0.852 1.525 -7.316 826 HD11 LEU 100 HD11 LEU 100 0.924 2.614 -5.150 827 HD12 LEU 100 HD12 LEU 100 2.531 2.565 -5.875 828 HD13 LEU 100 HD13 LEU 100 2.112 1.442 -4.582 829 HD21 LEU 100 HD21 LEU 100 3.184 0.734 -7.349 830 HD22 LEU 100 HD22 LEU 100 2.039 -0.541 -7.768 831 HD23 LEU 100 HD23 LEU 100 2.765 -0.502 -6.161 832 H LEU 101 H LEU 101 -2.878 -0.344 -6.214 833 HA LEU 101 HA LEU 101 -3.384 -2.290 -4.246 834 HB2 LEU 101 HB2 LEU 101 -5.318 -0.763 -5.994 835 HB3 LEU 101 HB3 LEU 101 -5.778 -1.704 -4.592 836 HG LEU 101 HG LEU 101 -4.039 0.764 -4.562 837 HD11 LEU 101 HD11 LEU 101 -6.878 0.334 -3.651 838 HD12 LEU 101 HD12 LEU 101 -6.363 1.267 -5.057 839 HD13 LEU 101 HD13 LEU 101 -5.937 1.809 -3.433 840 HD21 LEU 101 HD21 LEU 101 -4.251 0.614 -2.118 841 HD22 LEU 101 HD22 LEU 101 -3.401 -0.774 -2.793 842 HD23 LEU 101 HD23 LEU 101 -5.086 -0.931 -2.292 843 H LYS 102 H LYS 102 -4.093 -2.201 -7.749 844 HA LYS 102 HA LYS 102 -5.433 -4.631 -7.886 845 HB2 LYS 102 HB2 LYS 102 -5.507 -3.015 -9.688 846 HB3 LYS 102 HB3 LYS 102 -3.773 -3.113 -9.909 847 HG2 LYS 102 HG2 LYS 102 -5.368 -5.600 -10.264 848 HG3 LYS 102 HG3 LYS 102 -5.473 -4.354 -11.507 849 HD2 LYS 102 HD2 LYS 102 -2.888 -5.550 -10.498 850 HD3 LYS 102 HD3 LYS 102 -3.732 -6.090 -11.951 851 HE2 LYS 102 HE2 LYS 102 -2.650 -3.304 -11.471 852 HE3 LYS 102 HE3 LYS 102 -1.886 -4.542 -12.460 853 HZ1 LYS 102 HZ1 LYS 102 -3.138 -2.946 -13.782 854 HZ2 LYS 102 HZ2 LYS 102 -4.560 -3.359 -12.976 855 HZ3 LYS 102 HZ3 LYS 102 -3.777 -4.500 -13.945 856 H ASP 103 H ASP 103 -1.918 -3.858 -7.990 857 HA ASP 103 HA ASP 103 -1.183 -6.499 -8.669 858 HB2 ASP 103 HB2 ASP 103 0.265 -4.045 -7.769 859 HB3 ASP 103 HB3 ASP 103 1.091 -5.599 -7.693 860 H LEU 104 H LEU 104 -1.637 -4.774 -5.513 861 HA LEU 104 HA LEU 104 -0.524 -6.777 -3.934 862 HB2 LEU 104 HB2 LEU 104 -2.800 -4.860 -3.391 863 HB3 LEU 104 HB3 LEU 104 -1.992 -5.820 -2.170 864 HG LEU 104 HG LEU 104 -0.668 -3.671 -3.827 865 HD11 LEU 104 HD11 LEU 104 -0.677 -2.358 -1.769 866 HD12 LEU 104 HD12 LEU 104 -1.584 -3.632 -0.955 867 HD13 LEU 104 HD13 LEU 104 -2.317 -2.742 -2.290 868 HD21 LEU 104 HD21 LEU 104 1.185 -3.923 -2.267 869 HD22 LEU 104 HD22 LEU 104 0.861 -5.446 -3.096 870 HD23 LEU 104 HD23 LEU 104 0.324 -5.215 -1.433 871 H LYS 105 H LYS 105 -3.809 -6.189 -5.112 872 HA LYS 105 HA LYS 105 -5.083 -8.377 -3.995 873 HB2 LYS 105 HB2 LYS 105 -5.589 -6.667 -6.376 874 HB3 LYS 105 HB3 LYS 105 -6.532 -8.140 -6.186 875 HG2 LYS 105 HG2 LYS 105 -7.323 -7.389 -4.022 876 HG3 LYS 105 HG3 LYS 105 -6.325 -5.939 -4.142 877 HD2 LYS 105 HD2 LYS 105 -7.625 -5.053 -5.877 878 HD3 LYS 105 HD3 LYS 105 -8.381 -6.608 -6.224 879 HE2 LYS 105 HE2 LYS 105 -9.935 -5.104 -5.084 880 HE3 LYS 105 HE3 LYS 105 -9.574 -6.516 -4.098 881 HZ1 LYS 105 HZ1 LYS 105 -8.047 -5.186 -2.802 882 HZ2 LYS 105 HZ2 LYS 105 -9.576 -4.476 -2.809 883 HZ3 LYS 105 HZ3 LYS 105 -8.350 -3.830 -3.768 884 H GLU 106 H GLU 106 -3.057 -8.198 -6.862 885 HA GLU 106 HA GLU 106 -3.633 -10.818 -7.797 886 HB2 GLU 106 HB2 GLU 106 -1.330 -8.942 -8.215 887 HB3 GLU 106 HB3 GLU 106 -1.248 -10.595 -8.803 888 HG2 GLU 106 HG2 GLU 106 -3.297 -8.541 -9.557 889 HG3 GLU 106 HG3 GLU 106 -1.938 -9.091 -10.539 890 H THR 107 H THR 107 -1.260 -9.510 -5.532 891 HA THR 107 HA THR 107 0.205 -11.896 -5.264 892 HB THR 107 HB THR 107 -0.049 -9.646 -3.258 893 HG1 THR 107 HG1 THR 107 0.582 -8.831 -5.312 894 HG21 THR 107 HG21 THR 107 2.174 -11.631 -3.787 895 HG22 THR 107 HG22 THR 107 1.068 -11.673 -2.413 896 HG23 THR 107 HG23 THR 107 2.206 -10.337 -2.589 897 H GLU 108 H GLU 108 -2.203 -10.373 -3.068 898 HA GLU 108 HA GLU 108 -2.351 -12.406 -1.225 899 HB2 GLU 108 HB2 GLU 108 -4.627 -11.579 -0.674 900 HB3 GLU 108 HB3 GLU 108 -3.427 -10.303 -0.795 901 HG2 GLU 108 HG2 GLU 108 -4.255 -9.627 -2.905 902 HG3 GLU 108 HG3 GLU 108 -5.315 -11.028 -3.011 903 H GLN 109 H GLN 109 -4.402 -12.069 -4.139 904 HA GLN 109 HA GLN 109 -5.873 -14.418 -3.693 905 HB2 GLN 109 HB2 GLN 109 -5.322 -12.874 -6.216 906 HB3 GLN 109 HB3 GLN 109 -6.375 -14.281 -6.174 907 HG2 GLN 109 HG2 GLN 109 -6.781 -11.806 -4.506 908 HG3 GLN 109 HG3 GLN 109 -7.571 -12.110 -6.051 909 HE21 GLN 109 HE21 GLN 109 -9.608 -12.050 -5.110 910 HE22 GLN 109 HE22 GLN 109 -10.211 -13.333 -4.118 911 H LYS 110 H LYS 110 -2.825 -13.885 -5.374 912 HA LYS 110 HA LYS 110 -2.657 -16.497 -6.463 913 HB2 LYS 110 HB2 LYS 110 -1.074 -14.128 -6.499 914 HB3 LYS 110 HB3 LYS 110 -0.038 -15.446 -5.979 915 HG2 LYS 110 HG2 LYS 110 0.261 -15.814 -8.164 916 HG3 LYS 110 HG3 LYS 110 -1.322 -16.576 -8.102 917 HD2 LYS 110 HD2 LYS 110 -0.727 -13.713 -8.895 918 HD3 LYS 110 HD3 LYS 110 -1.201 -15.017 -9.976 919 HE2 LYS 110 HE2 LYS 110 -3.290 -15.081 -8.282 920 HE3 LYS 110 HE3 LYS 110 -2.820 -13.384 -8.112 921 HZ1 LYS 110 HZ1 LYS 110 -4.495 -13.822 -9.860 922 HZ2 LYS 110 HZ2 LYS 110 -3.317 -14.661 -10.735 923 HZ3 LYS 110 HZ3 LYS 110 -3.114 -13.013 -10.403 924 H VAL 111 H VAL 111 -1.449 -15.029 -3.492 925 HA VAL 111 HA VAL 111 -0.041 -17.248 -2.481 926 HB VAL 111 HB VAL 111 -1.440 -15.000 -0.994 927 HG11 VAL 111 HG11 VAL 111 0.553 -17.014 0.048 928 HG12 VAL 111 HG12 VAL 111 -1.152 -16.908 0.489 929 HG13 VAL 111 HG13 VAL 111 -0.045 -15.609 0.931 930 HG21 VAL 111 HG21 VAL 111 1.459 -15.412 -1.723 931 HG22 VAL 111 HG22 VAL 111 0.818 -14.074 -0.768 932 HG23 VAL 111 HG23 VAL 111 0.353 -14.250 -2.460 933 H LYS 112 H LYS 112 -3.399 -16.216 -2.125 934 HA LYS 112 HA LYS 112 -4.237 -18.328 -0.435 935 HB2 LYS 112 HB2 LYS 112 -5.827 -16.671 -2.406 936 HB3 LYS 112 HB3 LYS 112 -6.526 -17.712 -1.178 937 HG2 LYS 112 HG2 LYS 112 -5.656 -16.306 0.576 938 HG3 LYS 112 HG3 LYS 112 -4.778 -15.329 -0.601 939 HD2 LYS 112 HD2 LYS 112 -6.920 -14.673 -1.633 940 HD3 LYS 112 HD3 LYS 112 -7.777 -15.620 -0.418 941 HE2 LYS 112 HE2 LYS 112 -5.922 -13.337 0.239 942 HE3 LYS 112 HE3 LYS 112 -7.660 -13.150 0.026 943 HZ1 LYS 112 HZ1 LYS 112 -7.994 -14.721 1.851 944 HZ2 LYS 112 HZ2 LYS 112 -7.106 -13.377 2.349 945 HZ3 LYS 112 HZ3 LYS 112 -6.325 -14.845 2.073 946 H ASP 113 H ASP 113 -3.644 -18.089 -3.833 947 HA ASP 113 HA ASP 113 -5.251 -20.319 -4.594 948 HB2 ASP 113 HB2 ASP 113 -4.670 -18.480 -6.157 949 HB3 ASP 113 HB3 ASP 113 -2.999 -19.025 -6.138 950 H ILE 114 H ILE 114 -1.988 -19.981 -3.348 951 HA ILE 114 HA ILE 114 -1.105 -22.553 -4.295 952 HB ILE 114 HB ILE 114 0.033 -20.402 -2.571 953 HG12 ILE 114 HG12 ILE 114 2.090 -20.952 -3.844 954 HG13 ILE 114 HG13 ILE 114 1.232 -22.271 -4.627 955 HG21 ILE 114 HG21 ILE 114 0.933 -23.263 -2.257 956 HG22 ILE 114 HG22 ILE 114 0.191 -22.254 -1.018 957 HG23 ILE 114 HG23 ILE 114 1.791 -21.851 -1.639 958 HD11 ILE 114 HD11 ILE 114 0.527 -19.356 -4.843 959 HD12 ILE 114 HD12 ILE 114 -0.263 -20.693 -5.687 960 HD13 ILE 114 HD13 ILE 114 1.424 -20.296 -6.035 961 H GLN 115 H GLN 115 -1.713 -24.403 -3.519 962 HA GLN 115 HA GLN 115 -3.299 -24.630 -1.138 963 HB2 GLN 115 HB2 GLN 115 -3.335 -27.054 -1.642 964 HB3 GLN 115 HB3 GLN 115 -3.824 -26.065 -3.012 965 HG2 GLN 115 HG2 GLN 115 -1.625 -26.340 -4.006 966 HG3 GLN 115 HG3 GLN 115 -1.114 -27.291 -2.612 967 HE21 GLN 115 HE21 GLN 115 -1.901 -29.386 -2.357 968 HE22 GLN 115 HE22 GLN 115 -2.656 -30.239 -3.651 969 H THR 116 H THR 116 -2.569 -24.827 0.817 970 HA THR 116 HA THR 116 0.124 -25.935 1.238 971 HB THR 116 HB THR 116 0.124 -24.583 3.366 972 HG1 THR 116 HG1 THR 116 -1.534 -22.668 2.772 973 HG21 THR 116 HG21 THR 116 -0.114 -23.120 0.739 974 HG22 THR 116 HG22 THR 116 1.347 -23.861 1.386 975 HG23 THR 116 HG23 THR 116 0.632 -22.463 2.196 976 H GLN 117 H GLN 117 0.223 -26.402 3.826 977 HA GLN 117 HA GLN 117 -0.224 -27.841 5.476 978 HB2 GLN 117 HB2 GLN 117 -2.228 -26.571 5.844 979 HB3 GLN 117 HB3 GLN 117 -3.077 -27.443 4.575 980 HG2 GLN 117 HG2 GLN 117 -3.044 -29.456 5.871 981 HG3 GLN 117 HG3 GLN 117 -2.022 -28.695 7.090 982 HE21 GLN 117 HE21 GLN 117 -4.679 -29.927 7.300 983 HE22 GLN 117 HE22 GLN 117 -5.704 -28.713 7.980 Start of MODEL 4 1 H GLN 1 H1 GLN 1 38.644 16.592 -0.457 2 HA GLN 1 HA GLN 1 36.309 16.085 -0.660 3 HB2 GLN 1 HB2 GLN 1 36.950 18.775 0.562 4 HB3 GLN 1 HB3 GLN 1 35.367 18.036 0.703 5 HG2 GLN 1 HG2 GLN 1 36.660 17.657 2.707 6 HG3 GLN 1 HG3 GLN 1 36.364 16.129 1.879 7 HE21 GLN 1 HE21 GLN 1 38.076 14.996 1.028 8 HE22 GLN 1 HE22 GLN 1 39.729 15.423 1.330 9 H GLU 2 H GLU 2 35.602 16.066 -2.796 10 HA GLU 2 HA GLU 2 34.807 18.630 -3.944 11 HB2 GLU 2 HB2 GLU 2 34.775 15.895 -5.234 12 HB3 GLU 2 HB3 GLU 2 34.544 17.439 -6.041 13 HG2 GLU 2 HG2 GLU 2 36.733 16.923 -6.562 14 HG3 GLU 2 HG3 GLU 2 36.918 17.988 -5.175 15 H HIS 3 H HIS 3 33.550 15.894 -2.369 16 HA HIS 3 HA HIS 3 30.933 17.030 -2.339 17 HB2 HIS 3 HB2 HIS 3 29.733 15.071 -3.232 18 HB3 HIS 3 HB3 HIS 3 30.767 15.794 -4.457 19 HD1 HIS 3 HD1 HIS 3 30.037 12.632 -2.772 20 HD2 HIS 3 HD2 HIS 3 33.163 14.242 -4.981 21 HE1 HIS 3 HE1 HIS 3 31.483 10.679 -3.420 22 HE2 HIS 3 HE2 HIS 3 33.280 11.662 -4.880 23 H LYS 4 H LYS 4 29.533 15.951 -0.849 24 HA LYS 4 HA LYS 4 31.057 14.477 1.196 25 HB2 LYS 4 HB2 LYS 4 29.445 15.502 2.817 26 HB3 LYS 4 HB3 LYS 4 30.558 16.626 2.048 27 HG2 LYS 4 HG2 LYS 4 28.774 17.279 0.485 28 HG3 LYS 4 HG3 LYS 4 27.666 16.192 1.323 29 HD2 LYS 4 HD2 LYS 4 27.351 18.466 2.099 30 HD3 LYS 4 HD3 LYS 4 28.019 17.464 3.387 31 HE2 LYS 4 HE2 LYS 4 29.095 19.677 3.279 32 HE3 LYS 4 HE3 LYS 4 30.234 18.367 2.989 33 HZ1 LYS 4 HZ1 LYS 4 30.084 18.798 0.622 34 HZ2 LYS 4 HZ2 LYS 4 30.546 20.194 1.444 35 HZ3 LYS 4 HZ3 LYS 4 28.962 20.035 0.893 36 HA PRO 5 HA PRO 5 28.179 11.140 0.995 37 HB2 PRO 5 HB2 PRO 5 27.998 10.467 3.654 38 HB3 PRO 5 HB3 PRO 5 29.358 10.017 2.619 39 HG2 PRO 5 HG2 PRO 5 29.121 12.292 4.551 40 HG3 PRO 5 HG3 PRO 5 30.488 11.199 4.275 41 HD2 PRO 5 HD2 PRO 5 30.449 13.676 3.264 42 HD3 PRO 5 HD3 PRO 5 31.160 12.320 2.366 43 H LYS 6 H LYS 6 26.157 11.569 0.513 44 HA LYS 6 HA LYS 6 24.251 12.220 2.575 45 HB2 LYS 6 HB2 LYS 6 24.778 14.056 0.240 46 HB3 LYS 6 HB3 LYS 6 23.190 13.980 0.990 47 HG2 LYS 6 HG2 LYS 6 25.733 14.632 2.466 48 HG3 LYS 6 HG3 LYS 6 24.616 15.836 1.818 49 HD2 LYS 6 HD2 LYS 6 22.876 15.137 3.274 50 HD3 LYS 6 HD3 LYS 6 23.754 13.682 3.744 51 HE2 LYS 6 HE2 LYS 6 24.671 16.491 4.319 52 HE3 LYS 6 HE3 LYS 6 23.772 15.485 5.455 53 HZ1 LYS 6 HZ1 LYS 6 26.164 15.408 5.863 54 HZ2 LYS 6 HZ2 LYS 6 26.432 14.813 4.308 55 HZ3 LYS 6 HZ3 LYS 6 25.575 13.889 5.424 56 H LYS 7 H LYS 7 22.309 11.264 2.179 57 HA LYS 7 HA LYS 7 22.211 9.628 -0.234 58 HB2 LYS 7 HB2 LYS 7 21.937 8.624 2.078 59 HB3 LYS 7 HB3 LYS 7 20.387 9.447 2.155 60 HG2 LYS 7 HG2 LYS 7 20.001 7.180 1.487 61 HG3 LYS 7 HG3 LYS 7 19.695 8.241 0.105 62 HD2 LYS 7 HD2 LYS 7 20.951 6.203 -0.516 63 HD3 LYS 7 HD3 LYS 7 21.838 7.685 -0.863 64 HE2 LYS 7 HE2 LYS 7 23.280 5.944 0.116 65 HE3 LYS 7 HE3 LYS 7 23.192 7.374 1.134 66 HZ1 LYS 7 HZ1 LYS 7 23.027 5.280 2.380 67 HZ2 LYS 7 HZ2 LYS 7 21.603 4.900 1.557 68 HZ3 LYS 7 HZ3 LYS 7 21.657 6.243 2.578 69 H ASP 8 H ASP 8 20.867 10.012 -1.823 70 HA ASP 8 HA ASP 8 19.297 12.380 -1.894 71 HB2 ASP 8 HB2 ASP 8 20.448 11.452 -3.857 72 HB3 ASP 8 HB3 ASP 8 19.389 10.046 -3.791 73 H ASP 9 H ASP 9 18.609 9.056 -1.159 74 HA ASP 9 HA ASP 9 15.843 8.996 -1.754 75 HB2 ASP 9 HB2 ASP 9 17.400 7.384 0.283 76 HB3 ASP 9 HB3 ASP 9 15.767 7.023 -0.256 77 H PHE 10 H PHE 10 17.641 10.234 0.926 78 HA PHE 10 HA PHE 10 15.323 10.338 2.664 79 HB2 PHE 10 HB2 PHE 10 17.541 9.710 3.568 80 HB3 PHE 10 HB3 PHE 10 18.153 11.302 3.138 81 HD1 PHE 10 HD1 PHE 10 15.594 9.599 5.219 82 HD2 PHE 10 HD2 PHE 10 17.985 13.073 4.649 83 HE1 PHE 10 HE1 PHE 10 14.875 10.450 7.412 84 HE2 PHE 10 HE2 PHE 10 17.270 13.931 6.841 85 HZ PHE 10 HZ PHE 10 15.713 12.618 8.227 86 H ARG 11 H ARG 11 16.822 12.384 0.311 87 HA ARG 11 HA ARG 11 16.227 14.841 1.608 88 HB2 ARG 11 HB2 ARG 11 18.035 14.252 -0.204 89 HB3 ARG 11 HB3 ARG 11 16.728 14.549 -1.338 90 HG2 ARG 11 HG2 ARG 11 17.651 16.558 0.714 91 HG3 ARG 11 HG3 ARG 11 18.261 16.488 -0.937 92 HD2 ARG 11 HD2 ARG 11 15.378 16.918 -0.146 93 HD3 ARG 11 HD3 ARG 11 16.498 18.184 -0.644 94 HE ARG 11 HE ARG 11 16.293 16.113 -2.596 95 HH11 ARG 11 HH11 ARG 11 14.685 18.999 -1.390 96 HH12 ARG 11 HH12 ARG 11 13.847 19.301 -2.877 97 HH21 ARG 11 HH21 ARG 11 15.180 16.536 -4.563 98 HH22 ARG 11 HH22 ARG 11 14.123 17.912 -4.665 99 H ASN 12 H ASN 12 14.115 15.138 2.006 100 HA ASN 12 HA ASN 12 12.080 14.609 0.043 101 HB2 ASN 12 HB2 ASN 12 12.014 16.032 2.718 102 HB3 ASN 12 HB3 ASN 12 10.596 15.845 1.694 103 HD21 ASN 12 HD21 ASN 12 11.103 14.836 4.380 104 HD22 ASN 12 HD22 ASN 12 10.923 13.119 4.295 105 H GLU 13 H GLU 13 10.870 16.181 -1.082 106 HA GLU 13 HA GLU 13 12.386 18.163 -2.287 107 HB2 GLU 13 HB2 GLU 13 10.216 17.113 -3.096 108 HB3 GLU 13 HB3 GLU 13 9.386 18.286 -2.081 109 HG2 GLU 13 HG2 GLU 13 9.483 19.054 -4.371 110 HG3 GLU 13 HG3 GLU 13 10.439 20.105 -3.324 111 H PHE 14 H PHE 14 9.802 18.681 0.136 112 HA PHE 14 HA PHE 14 11.218 21.046 1.070 113 HB2 PHE 14 HB2 PHE 14 8.331 21.104 0.143 114 HB3 PHE 14 HB3 PHE 14 9.104 22.378 1.071 115 HD1 PHE 14 HD2 PHE 14 11.337 23.299 -0.015 116 HD2 PHE 14 HD1 PHE 14 8.227 21.318 -2.133 117 HE1 PHE 14 HE2 PHE 14 12.096 24.347 -2.103 118 HE2 PHE 14 HE1 PHE 14 8.981 22.364 -4.227 119 HZ PHE 14 HZ PHE 14 10.918 23.883 -4.214 120 H ASP 15 H ASP 15 9.847 21.979 3.007 121 HA ASP 15 HA ASP 15 9.657 19.937 4.964 122 HB2 ASP 15 HB2 ASP 15 8.764 22.821 4.978 123 HB3 ASP 15 HB3 ASP 15 8.608 21.768 6.376 124 H HIS 16 H HIS 16 7.349 21.561 2.939 125 HA HIS 16 HA HIS 16 5.298 19.639 3.781 126 HB2 HIS 16 HB2 HIS 16 4.905 22.610 3.336 127 HB3 HIS 16 HB3 HIS 16 3.584 21.456 3.438 128 HD1 HIS 16 HD1 HIS 16 3.100 20.422 5.796 129 HD2 HIS 16 HD2 HIS 16 6.038 23.364 5.752 130 HE1 HIS 16 HE1 HIS 16 3.431 21.083 8.194 131 HE2 HIS 16 HE2 HIS 16 5.366 22.693 8.150 132 H LEU 17 H LEU 17 4.346 18.610 2.067 133 HA LEU 17 HA LEU 17 3.862 19.800 -0.407 134 HB2 LEU 17 HB2 LEU 17 6.474 19.292 -0.288 135 HB3 LEU 17 HB3 LEU 17 5.957 17.661 -0.632 136 HG LEU 17 HG LEU 17 6.691 18.845 -2.649 137 HD11 LEU 17 HD11 LEU 17 5.077 17.100 -2.947 138 HD12 LEU 17 HD12 LEU 17 4.720 18.418 -4.062 139 HD13 LEU 17 HD13 LEU 17 3.751 18.209 -2.604 140 HD21 LEU 17 HD21 LEU 17 4.355 20.686 -2.165 141 HD22 LEU 17 HD22 LEU 17 5.437 20.707 -3.558 142 HD23 LEU 17 HD23 LEU 17 6.052 21.109 -1.954 143 H LEU 18 H LEU 18 1.936 18.869 -0.588 144 HA LEU 18 HA LEU 18 1.086 16.558 0.699 145 HB2 LEU 18 HB2 LEU 18 -0.072 17.991 -1.685 146 HB3 LEU 18 HB3 LEU 18 -0.873 16.642 -0.907 147 HG LEU 18 HG LEU 18 -0.857 18.013 1.231 148 HD11 LEU 18 HD11 LEU 18 -0.094 20.214 -0.679 149 HD12 LEU 18 HD12 LEU 18 0.848 19.627 0.694 150 HD13 LEU 18 HD13 LEU 18 -0.686 20.452 0.966 151 HD21 LEU 18 HD21 LEU 18 -2.789 19.354 0.552 152 HD22 LEU 18 HD22 LEU 18 -2.856 17.716 -0.096 153 HD23 LEU 18 HD23 LEU 18 -2.391 19.059 -1.140 154 H ILE 19 H ILE 19 1.836 16.910 -2.770 155 HA ILE 19 HA ILE 19 1.391 14.241 -3.434 156 HB ILE 19 HB ILE 19 3.106 16.349 -4.746 157 HG12 ILE 19 HG12 ILE 19 0.672 16.629 -4.832 158 HG13 ILE 19 HG13 ILE 19 1.336 16.310 -6.432 159 HG21 ILE 19 HG21 ILE 19 2.574 13.562 -5.789 160 HG22 ILE 19 HG22 ILE 19 4.147 14.190 -5.286 161 HG23 ILE 19 HG23 ILE 19 3.328 14.869 -6.695 162 HD11 ILE 19 HD11 ILE 19 -0.716 15.087 -6.132 163 HD12 ILE 19 HD12 ILE 19 -0.104 14.344 -4.660 164 HD13 ILE 19 HD13 ILE 19 0.631 13.955 -6.215 165 H GLU 20 H GLU 20 4.255 15.832 -2.175 166 HA GLU 20 HA GLU 20 6.154 13.820 -2.568 167 HB2 GLU 20 HB2 GLU 20 6.723 16.082 -1.807 168 HB3 GLU 20 HB3 GLU 20 5.891 15.784 -0.288 169 HG2 GLU 20 HG2 GLU 20 8.204 15.614 0.109 170 HG3 GLU 20 HG3 GLU 20 7.531 13.988 0.185 171 H GLN 21 H GLN 21 3.874 14.346 0.081 172 HA GLN 21 HA GLN 21 4.690 12.232 1.751 173 HB2 GLN 21 HB2 GLN 21 2.972 14.224 2.084 174 HB3 GLN 21 HB3 GLN 21 1.805 13.026 1.556 175 HG2 GLN 21 HG2 GLN 21 3.623 12.799 3.954 176 HG3 GLN 21 HG3 GLN 21 1.907 13.174 3.985 177 HE21 GLN 21 HE21 GLN 21 0.417 11.519 3.502 178 HE22 GLN 21 HE22 GLN 21 0.866 9.855 3.604 179 H ALA 22 H ALA 22 2.146 12.356 -0.799 180 HA ALA 22 HA ALA 22 1.346 9.652 -0.433 181 HB1 ALA 22 HB1 ALA 22 0.092 9.998 -2.516 182 HB2 ALA 22 HB2 ALA 22 0.945 11.521 -2.776 183 HB3 ALA 22 HB3 ALA 22 -0.138 11.342 -1.397 184 H ASN 23 H ASN 23 3.565 11.320 -2.474 185 HA ASN 23 HA ASN 23 4.195 9.374 -4.382 186 HB2 ASN 23 HB2 ASN 23 4.806 11.775 -4.508 187 HB3 ASN 23 HB3 ASN 23 5.997 11.517 -3.243 188 HD21 ASN 23 HD21 ASN 23 7.675 12.160 -4.509 189 HD22 ASN 23 HD22 ASN 23 8.269 11.224 -5.830 190 H HIS 24 H HIS 24 5.628 10.030 -1.200 191 HA HIS 24 HA HIS 24 7.538 7.948 -1.601 192 HB2 HIS 24 HB2 HIS 24 6.959 9.732 0.723 193 HB3 HIS 24 HB3 HIS 24 7.977 8.308 0.928 194 HD1 HIS 24 HD1 HIS 24 10.112 8.209 -0.826 195 HD2 HIS 24 HD2 HIS 24 8.281 11.899 -0.216 196 HE1 HIS 24 HE1 HIS 24 11.756 9.928 -1.622 197 HE2 HIS 24 HE2 HIS 24 10.508 12.105 -1.503 198 H ALA 25 H ALA 25 4.284 8.053 0.071 199 HA ALA 25 HA ALA 25 4.599 5.636 1.317 200 HB1 ALA 25 HB1 ALA 25 2.794 7.241 1.744 201 HB2 ALA 25 HB2 ALA 25 2.166 5.635 1.368 202 HB3 ALA 25 HB3 ALA 25 2.127 6.906 0.146 203 H ILE 26 H ILE 26 3.448 6.416 -1.982 204 HA ILE 26 HA ILE 26 2.881 3.710 -2.624 205 HB ILE 26 HB ILE 26 2.850 4.411 -4.997 206 HG12 ILE 26 HG12 ILE 26 3.640 7.135 -3.942 207 HG13 ILE 26 HG13 ILE 26 4.680 6.074 -4.885 208 HG21 ILE 26 HG21 ILE 26 0.854 4.670 -3.640 209 HG22 ILE 26 HG22 ILE 26 0.972 5.973 -4.823 210 HG23 ILE 26 HG23 ILE 26 1.386 6.275 -3.136 211 HD11 ILE 26 HD11 ILE 26 3.733 7.840 -6.255 212 HD12 ILE 26 HD12 ILE 26 2.104 7.317 -5.828 213 HD13 ILE 26 HD13 ILE 26 3.149 6.261 -6.777 214 H GLU 27 H GLU 27 5.755 5.686 -2.804 215 HA GLU 27 HA GLU 27 7.435 4.014 -4.292 216 HB2 GLU 27 HB2 GLU 27 8.113 6.254 -3.668 217 HB3 GLU 27 HB3 GLU 27 8.013 5.855 -1.964 218 HG2 GLU 27 HG2 GLU 27 9.891 4.309 -2.232 219 HG3 GLU 27 HG3 GLU 27 10.002 4.761 -3.934 220 H LYS 28 H LYS 28 6.687 4.076 -0.824 221 HA LYS 28 HA LYS 28 8.315 1.889 -0.113 222 HB2 LYS 28 HB2 LYS 28 7.580 3.309 1.649 223 HB3 LYS 28 HB3 LYS 28 5.895 3.152 1.173 224 HG2 LYS 28 HG2 LYS 28 5.794 0.911 1.973 225 HG3 LYS 28 HG3 LYS 28 7.538 0.857 2.214 226 HD2 LYS 28 HD2 LYS 28 6.301 1.136 4.315 227 HD3 LYS 28 HD3 LYS 28 7.375 2.497 3.994 228 HE2 LYS 28 HE2 LYS 28 5.430 3.773 3.157 229 HE3 LYS 28 HE3 LYS 28 4.389 2.404 3.547 230 HZ1 LYS 28 HZ1 LYS 28 5.985 4.007 5.471 231 HZ2 LYS 28 HZ2 LYS 28 5.089 2.641 5.881 232 HZ3 LYS 28 HZ3 LYS 28 4.302 4.024 5.310 233 H GLY 29 H GLY 29 4.873 2.141 -1.058 234 HA2 GLY 29 HA2 GLY 29 4.174 -0.505 -0.652 235 HA3 GLY 29 HA3 GLY 29 3.406 0.604 -1.768 236 H GLU 30 H GLU 30 5.443 1.050 -3.567 237 HA GLU 30 HA GLU 30 5.179 -1.257 -5.191 238 HB2 GLU 30 HB2 GLU 30 6.687 -0.140 -6.782 239 HB3 GLU 30 HB3 GLU 30 5.391 0.910 -6.237 240 HG2 GLU 30 HG2 GLU 30 6.890 2.109 -4.819 241 HG3 GLU 30 HG3 GLU 30 8.189 0.964 -5.147 242 H HIS 31 H HIS 31 7.749 -0.074 -3.161 243 HA HIS 31 HA HIS 31 9.736 -1.925 -3.957 244 HB2 HIS 31 HB2 HIS 31 10.203 0.174 -2.699 245 HB3 HIS 31 HB3 HIS 31 9.438 -0.535 -1.283 246 HD1 HIS 31 HD1 HIS 31 10.967 -1.735 0.271 247 HD2 HIS 31 HD2 HIS 31 12.586 -1.370 -3.540 248 HE1 HIS 31 HE1 HIS 31 13.302 -2.636 0.439 249 HE2 HIS 31 HE2 HIS 31 14.154 -2.637 -1.926 250 H GLN 32 H GLN 32 7.463 -1.933 -1.239 251 HA GLN 32 HA GLN 32 8.256 -4.489 -0.266 252 HB2 GLN 32 HB2 GLN 32 6.348 -4.394 1.210 253 HB3 GLN 32 HB3 GLN 32 7.033 -2.782 1.114 254 HG2 GLN 32 HG2 GLN 32 4.858 -2.213 0.916 255 HG3 GLN 32 HG3 GLN 32 5.161 -2.561 -0.783 256 HE21 GLN 32 HE21 GLN 32 2.661 -2.676 0.672 257 HE22 GLN 32 HE22 GLN 32 2.077 -4.293 0.517 258 H LEU 33 H LEU 33 5.884 -3.448 -2.640 259 HA LEU 33 HA LEU 33 4.515 -5.881 -2.906 260 HB2 LEU 33 HB2 LEU 33 3.677 -3.761 -3.812 261 HB3 LEU 33 HB3 LEU 33 4.992 -3.712 -4.960 262 HG LEU 33 HG LEU 33 2.598 -4.444 -5.716 263 HD11 LEU 33 HD11 LEU 33 4.557 -4.405 -7.158 264 HD12 LEU 33 HD12 LEU 33 3.530 -5.797 -7.489 265 HD13 LEU 33 HD13 LEU 33 5.027 -6.002 -6.574 266 HD21 LEU 33 HD21 LEU 33 2.329 -6.202 -4.006 267 HD22 LEU 33 HD22 LEU 33 3.679 -7.089 -4.720 268 HD23 LEU 33 HD23 LEU 33 2.202 -6.837 -5.644 269 H LEU 34 H LEU 34 7.324 -4.604 -4.766 270 HA LEU 34 HA LEU 34 7.510 -6.956 -6.338 271 HB2 LEU 34 HB2 LEU 34 9.711 -6.097 -7.044 272 HB3 LEU 34 HB3 LEU 34 8.452 -4.894 -7.182 273 HG LEU 34 HG LEU 34 9.371 -4.074 -4.862 274 HD11 LEU 34 HD11 LEU 34 11.783 -4.391 -4.628 275 HD12 LEU 34 HD12 LEU 34 11.766 -5.528 -5.976 276 HD13 LEU 34 HD13 LEU 34 10.909 -5.916 -4.485 277 HD21 LEU 34 HD21 LEU 34 9.401 -2.763 -6.906 278 HD22 LEU 34 HD22 LEU 34 10.834 -3.629 -7.462 279 HD23 LEU 34 HD23 LEU 34 10.930 -2.589 -6.041 280 H TYR 35 H TYR 35 8.594 -6.073 -3.220 281 HA TYR 35 HA TYR 35 10.649 -8.010 -2.902 282 HB2 TYR 35 HB2 TYR 35 10.539 -6.116 -1.380 283 HB3 TYR 35 HB3 TYR 35 8.932 -6.594 -0.845 284 HD1 TYR 35 HD1 TYR 35 12.508 -7.594 -0.798 285 HD2 TYR 35 HD2 TYR 35 8.652 -8.144 0.917 286 HE1 TYR 35 HE1 TYR 35 13.509 -8.917 1.019 287 HE2 TYR 35 HE2 TYR 35 9.639 -9.469 2.734 288 HH TYR 35 HH TYR 35 12.987 -9.579 3.327 289 H LEU 36 H LEU 36 7.217 -7.926 -1.859 290 HA LEU 36 HA LEU 36 7.211 -10.564 -0.884 291 HB2 LEU 36 HB2 LEU 36 4.949 -8.763 -1.732 292 HB3 LEU 36 HB3 LEU 36 4.744 -10.293 -0.899 293 HG LEU 36 HG LEU 36 6.139 -7.852 0.213 294 HD11 LEU 36 HD11 LEU 36 4.258 -7.762 1.762 295 HD12 LEU 36 HD12 LEU 36 3.492 -9.102 0.911 296 HD13 LEU 36 HD13 LEU 36 3.741 -7.558 0.090 297 HD21 LEU 36 HD21 LEU 36 7.161 -9.883 1.064 298 HD22 LEU 36 HD22 LEU 36 5.574 -10.539 1.466 299 HD23 LEU 36 HD23 LEU 36 6.186 -9.124 2.321 300 H GLN 37 H GLN 37 6.621 -9.178 -4.055 301 HA GLN 37 HA GLN 37 5.357 -11.356 -5.253 302 HB2 GLN 37 HB2 GLN 37 7.155 -9.218 -6.371 303 HB3 GLN 37 HB3 GLN 37 6.461 -10.463 -7.398 304 HG2 GLN 37 HG2 GLN 37 4.828 -8.635 -5.656 305 HG3 GLN 37 HG3 GLN 37 5.202 -8.303 -7.345 306 HE21 GLN 37 HE21 GLN 37 3.000 -8.330 -7.879 307 HE22 GLN 37 HE22 GLN 37 2.109 -9.805 -7.973 308 H HIS 38 H HIS 38 8.783 -10.660 -4.744 309 HA HIS 38 HA HIS 38 9.809 -12.922 -6.116 310 HB2 HIS 38 HB2 HIS 38 10.910 -11.080 -4.020 311 HB3 HIS 38 HB3 HIS 38 11.790 -12.542 -4.444 312 HD1 HIS 38 HD1 HIS 38 12.897 -12.626 -6.763 313 HD2 HIS 38 HD2 HIS 38 10.884 -9.076 -5.997 314 HE1 HIS 38 HE1 HIS 38 13.604 -11.047 -8.569 315 HE2 HIS 38 HE2 HIS 38 12.518 -8.853 -7.982 316 H GLN 39 H GLN 39 8.565 -12.397 -2.874 317 HA GLN 39 HA GLN 39 9.487 -14.838 -1.774 318 HB2 GLN 39 HB2 GLN 39 7.229 -13.008 -0.930 319 HB3 GLN 39 HB3 GLN 39 7.815 -14.372 0.011 320 HG2 GLN 39 HG2 GLN 39 9.402 -11.921 -0.731 321 HG3 GLN 39 HG3 GLN 39 8.698 -12.268 0.847 322 HE21 GLN 39 HE21 GLN 39 9.617 -13.881 2.125 323 HE22 GLN 39 HE22 GLN 39 11.206 -14.487 1.844 324 H LEU 40 H LEU 40 6.441 -13.723 -3.232 325 HA LEU 40 HA LEU 40 4.898 -15.959 -3.056 326 HB2 LEU 40 HB2 LEU 40 4.066 -13.907 -3.990 327 HB3 LEU 40 HB3 LEU 40 5.184 -14.008 -5.335 328 HG LEU 40 HG LEU 40 3.979 -16.015 -6.154 329 HD11 LEU 40 HD11 LEU 40 2.006 -15.378 -3.969 330 HD12 LEU 40 HD12 LEU 40 3.080 -16.774 -4.011 331 HD13 LEU 40 HD13 LEU 40 1.815 -16.597 -5.227 332 HD21 LEU 40 HD21 LEU 40 2.267 -13.569 -5.739 333 HD22 LEU 40 HD22 LEU 40 1.998 -14.818 -6.953 334 HD23 LEU 40 HD23 LEU 40 3.443 -13.808 -7.032 335 H ASP 41 H ASP 41 7.361 -15.284 -5.569 336 HA ASP 41 HA ASP 41 7.001 -17.631 -7.039 337 HB2 ASP 41 HB2 ASP 41 8.409 -15.867 -7.907 338 HB3 ASP 41 HB3 ASP 41 9.529 -16.041 -6.559 339 H GLU 42 H GLU 42 8.965 -17.001 -4.195 340 HA GLU 42 HA GLU 42 10.179 -19.569 -4.063 341 HB2 GLU 42 HB2 GLU 42 11.088 -17.639 -2.871 342 HB3 GLU 42 HB3 GLU 42 9.640 -17.548 -1.884 343 HG2 GLU 42 HG2 GLU 42 10.156 -19.662 -0.859 344 HG3 GLU 42 HG3 GLU 42 11.552 -19.862 -1.920 345 H LEU 43 H LEU 43 7.386 -18.146 -2.538 346 HA LEU 43 HA LEU 43 6.520 -20.279 -0.962 347 HB2 LEU 43 HB2 LEU 43 5.548 -18.031 -0.834 348 HB3 LEU 43 HB3 LEU 43 4.788 -18.267 -2.396 349 HG LEU 43 HG LEU 43 3.489 -20.157 -1.396 350 HD11 LEU 43 HD11 LEU 43 4.646 -19.124 1.171 351 HD12 LEU 43 HD12 LEU 43 4.942 -20.701 0.437 352 HD13 LEU 43 HD13 LEU 43 3.333 -20.294 1.027 353 HD21 LEU 43 HD21 LEU 43 1.916 -18.712 -0.196 354 HD22 LEU 43 HD22 LEU 43 2.493 -17.954 -1.679 355 HD23 LEU 43 HD23 LEU 43 3.143 -17.449 -0.120 356 H ASN 44 H ASN 44 5.864 -19.615 -4.373 357 HA ASN 44 HA ASN 44 4.031 -21.669 -4.873 358 HB2 ASN 44 HB2 ASN 44 5.908 -20.050 -6.514 359 HB3 ASN 44 HB3 ASN 44 5.268 -21.515 -7.244 360 HD21 ASN 44 HD21 ASN 44 4.501 -18.364 -5.993 361 HD22 ASN 44 HD22 ASN 44 2.917 -18.271 -6.683 362 H GLU 45 H GLU 45 7.527 -21.662 -4.860 363 HA GLU 45 HA GLU 45 7.751 -24.341 -5.877 364 HB2 GLU 45 HB2 GLU 45 9.388 -22.542 -6.343 365 HB3 GLU 45 HB3 GLU 45 9.853 -22.562 -4.651 366 HG2 GLU 45 HG2 GLU 45 10.599 -24.883 -4.903 367 HG3 GLU 45 HG3 GLU 45 10.166 -24.818 -6.613 368 H ASN 46 H ASN 46 8.213 -22.795 -2.735 369 HA ASN 46 HA ASN 46 9.048 -25.276 -1.472 370 HB2 ASN 46 HB2 ASN 46 9.879 -22.994 -0.760 371 HB3 ASN 46 HB3 ASN 46 8.280 -22.702 -0.082 372 HD21 ASN 46 HD21 ASN 46 9.159 -22.492 1.990 373 HD22 ASN 46 HD22 ASN 46 9.696 -23.865 2.887 374 H LYS 47 H LYS 47 6.220 -23.449 -1.868 375 HA LYS 47 HA LYS 47 3.931 -23.772 -1.371 376 HB2 LYS 47 HB2 LYS 47 4.773 -26.062 -2.446 377 HB3 LYS 47 HB3 LYS 47 4.457 -26.663 -0.826 378 HG2 LYS 47 HG2 LYS 47 2.513 -27.105 -2.092 379 HG3 LYS 47 HG3 LYS 47 2.127 -25.748 -1.036 380 HD2 LYS 47 HD2 LYS 47 1.223 -25.052 -3.054 381 HD3 LYS 47 HD3 LYS 47 2.802 -24.284 -3.116 382 HE2 LYS 47 HE2 LYS 47 2.075 -26.918 -4.423 383 HE3 LYS 47 HE3 LYS 47 2.137 -25.369 -5.251 384 HZ1 LYS 47 HZ1 LYS 47 4.135 -26.667 -5.623 385 HZ2 LYS 47 HZ2 LYS 47 4.452 -26.739 -3.975 386 HZ3 LYS 47 HZ3 LYS 47 4.510 -25.251 -4.786 387 H SER 48 H SER 48 5.881 -23.290 0.787 388 HA SER 48 HA SER 48 5.201 -24.781 3.103 389 HB2 SER 48 HB2 SER 48 7.305 -23.601 3.019 390 HB3 SER 48 HB3 SER 48 6.474 -22.053 2.891 391 HG SER 48 HG SER 48 6.785 -23.755 5.088 392 H LYS 49 H LYS 49 3.391 -24.759 4.276 393 HA LYS 49 HA LYS 49 1.298 -22.983 3.870 394 HB2 LYS 49 HB2 LYS 49 0.330 -24.001 5.961 395 HB3 LYS 49 HB3 LYS 49 0.778 -25.151 4.720 396 HG2 LYS 49 HG2 LYS 49 2.737 -24.573 6.880 397 HG3 LYS 49 HG3 LYS 49 1.335 -25.568 7.251 398 HD2 LYS 49 HD2 LYS 49 1.938 -27.136 5.498 399 HD3 LYS 49 HD3 LYS 49 3.279 -26.113 5.003 400 HE2 LYS 49 HE2 LYS 49 4.306 -26.408 7.223 401 HE3 LYS 49 HE3 LYS 49 2.990 -27.494 7.666 402 HZ1 LYS 49 HZ1 LYS 49 4.981 -27.940 5.495 403 HZ2 LYS 49 HZ2 LYS 49 3.692 -28.976 5.847 404 HZ3 LYS 49 HZ3 LYS 49 4.927 -28.748 6.977 405 H GLU 50 H GLU 50 3.638 -23.138 6.483 406 HA GLU 50 HA GLU 50 2.595 -20.958 7.934 407 HB2 GLU 50 HB2 GLU 50 4.759 -20.879 9.114 408 HB3 GLU 50 HB3 GLU 50 4.090 -22.499 9.039 409 HG2 GLU 50 HG2 GLU 50 5.618 -23.026 7.191 410 HG3 GLU 50 HG3 GLU 50 6.303 -21.405 7.315 411 H LEU 51 H LEU 51 5.122 -21.100 5.477 412 HA LEU 51 HA LEU 51 5.808 -18.402 5.511 413 HB2 LEU 51 HB2 LEU 51 7.002 -20.160 4.222 414 HB3 LEU 51 HB3 LEU 51 5.668 -20.189 3.086 415 HG LEU 51 HG LEU 51 6.135 -17.806 2.547 416 HD11 LEU 51 HD11 LEU 51 7.250 -17.154 4.592 417 HD12 LEU 51 HD12 LEU 51 8.303 -16.868 3.205 418 HD13 LEU 51 HD13 LEU 51 8.577 -18.263 4.249 419 HD21 LEU 51 HD21 LEU 51 8.400 -19.756 2.119 420 HD22 LEU 51 HD22 LEU 51 8.142 -18.272 1.201 421 HD23 LEU 51 HD23 LEU 51 6.961 -19.580 1.111 422 H GLN 52 H GLN 52 3.225 -20.070 3.735 423 HA GLN 52 HA GLN 52 2.250 -17.900 2.270 424 HB2 GLN 52 HB2 GLN 52 1.474 -20.116 1.766 425 HB3 GLN 52 HB3 GLN 52 0.835 -20.322 3.389 426 HG2 GLN 52 HG2 GLN 52 -0.857 -18.622 2.958 427 HG3 GLN 52 HG3 GLN 52 -0.203 -18.372 1.341 428 HE21 GLN 52 HE21 GLN 52 -2.862 -19.254 2.266 429 HE22 GLN 52 HE22 GLN 52 -3.144 -20.753 1.450 430 H GLU 53 H GLU 53 1.422 -19.017 5.538 431 HA GLU 53 HA GLU 53 -0.663 -17.253 6.017 432 HB2 GLU 53 HB2 GLU 53 -0.219 -19.294 7.289 433 HB3 GLU 53 HB3 GLU 53 1.253 -18.578 7.927 434 HG2 GLU 53 HG2 GLU 53 -0.081 -16.847 8.987 435 HG3 GLU 53 HG3 GLU 53 -1.542 -17.629 8.387 436 H LYS 54 H LYS 54 2.802 -17.034 6.800 437 HA LYS 54 HA LYS 54 2.642 -14.513 8.085 438 HB2 LYS 54 HB2 LYS 54 5.025 -15.668 6.600 439 HB3 LYS 54 HB3 LYS 54 5.072 -14.384 7.797 440 HG2 LYS 54 HG2 LYS 54 4.347 -15.945 9.519 441 HG3 LYS 54 HG3 LYS 54 4.247 -17.228 8.312 442 HD2 LYS 54 HD2 LYS 54 6.309 -17.511 9.495 443 HD3 LYS 54 HD3 LYS 54 6.696 -16.914 7.884 444 HE2 LYS 54 HE2 LYS 54 6.388 -14.991 10.162 445 HE3 LYS 54 HE3 LYS 54 7.881 -15.905 9.985 446 HZ1 LYS 54 HZ1 LYS 54 8.084 -13.780 8.921 447 HZ2 LYS 54 HZ2 LYS 54 6.709 -14.035 7.988 448 HZ3 LYS 54 HZ3 LYS 54 8.091 -14.980 7.730 449 H ILE 55 H ILE 55 3.295 -15.443 4.787 450 HA ILE 55 HA ILE 55 3.895 -12.878 3.773 451 HB ILE 55 HB ILE 55 2.766 -15.273 2.311 452 HG12 ILE 55 HG12 ILE 55 5.535 -14.046 2.385 453 HG13 ILE 55 HG13 ILE 55 5.044 -15.519 3.215 454 HG21 ILE 55 HG21 ILE 55 3.785 -12.679 1.145 455 HG22 ILE 55 HG22 ILE 55 2.115 -13.240 1.122 456 HG23 ILE 55 HG23 ILE 55 3.353 -14.120 0.224 457 HD11 ILE 55 HD11 ILE 55 4.650 -16.604 1.078 458 HD12 ILE 55 HD12 ILE 55 6.298 -15.984 1.179 459 HD13 ILE 55 HD13 ILE 55 5.087 -15.120 0.231 460 H ILE 56 H ILE 56 0.763 -14.614 3.762 461 HA ILE 56 HA ILE 56 -0.643 -12.427 2.628 462 HB ILE 56 HB ILE 56 -1.504 -14.764 2.546 463 HG12 ILE 56 HG12 ILE 56 -3.404 -12.795 3.850 464 HG13 ILE 56 HG13 ILE 56 -2.992 -12.830 2.140 465 HG21 ILE 56 HG21 ILE 56 -2.146 -14.329 5.460 466 HG22 ILE 56 HG22 ILE 56 -0.972 -15.470 4.806 467 HG23 ILE 56 HG23 ILE 56 -2.692 -15.691 4.480 468 HD11 ILE 56 HD11 ILE 56 -4.401 -15.019 3.654 469 HD12 ILE 56 HD12 ILE 56 -4.007 -15.035 1.935 470 HD13 ILE 56 HD13 ILE 56 -5.155 -13.854 2.565 471 H ARG 57 H ARG 57 0.175 -13.250 5.915 472 HA ARG 57 HA ARG 57 -1.677 -11.506 7.150 473 HB2 ARG 57 HB2 ARG 57 -0.020 -13.453 8.047 474 HB3 ARG 57 HB3 ARG 57 0.859 -12.015 8.555 475 HG2 ARG 57 HG2 ARG 57 -0.571 -12.755 10.327 476 HG3 ARG 57 HG3 ARG 57 -1.174 -11.219 9.692 477 HD2 ARG 57 HD2 ARG 57 -2.785 -12.481 8.294 478 HD3 ARG 57 HD3 ARG 57 -2.206 -13.965 9.041 479 HE ARG 57 HE ARG 57 -3.241 -13.365 11.052 480 HH11 ARG 57 HH11 ARG 57 -3.777 -10.930 8.566 481 HH12 ARG 57 HH12 ARG 57 -5.055 -10.145 9.423 482 HH21 ARG 57 HH21 ARG 57 -4.971 -12.322 12.178 483 HH22 ARG 57 HH22 ARG 57 -5.748 -10.949 11.478 484 H GLU 58 H GLU 58 1.820 -11.157 6.492 485 HA GLU 58 HA GLU 58 1.964 -8.502 7.429 486 HB2 GLU 58 HB2 GLU 58 3.891 -10.084 7.055 487 HB3 GLU 58 HB3 GLU 58 3.720 -9.782 5.336 488 HG2 GLU 58 HG2 GLU 58 4.242 -7.463 5.641 489 HG3 GLU 58 HG3 GLU 58 4.269 -7.670 7.392 490 H LEU 59 H LEU 59 1.145 -9.935 4.379 491 HA LEU 59 HA LEU 59 1.304 -7.682 2.707 492 HB2 LEU 59 HB2 LEU 59 1.068 -10.022 1.944 493 HB3 LEU 59 HB3 LEU 59 -0.568 -10.045 2.565 494 HG LEU 59 HG LEU 59 -1.188 -8.300 0.921 495 HD11 LEU 59 HD11 LEU 59 1.601 -8.749 -0.119 496 HD12 LEU 59 HD12 LEU 59 1.003 -7.276 0.645 497 HD13 LEU 59 HD13 LEU 59 0.341 -7.799 -0.903 498 HD21 LEU 59 HD21 LEU 59 0.076 -10.786 -0.211 499 HD22 LEU 59 HD22 LEU 59 -1.106 -9.770 -1.035 500 HD23 LEU 59 HD23 LEU 59 -1.562 -10.646 0.428 501 H ASP 60 H ASP 60 -1.340 -9.054 4.607 502 HA ASP 60 HA ASP 60 -3.320 -7.209 3.841 503 HB2 ASP 60 HB2 ASP 60 -3.820 -9.406 4.833 504 HB3 ASP 60 HB3 ASP 60 -3.160 -8.855 6.370 505 H VAL 61 H VAL 61 -1.080 -7.231 6.625 506 HA VAL 61 HA VAL 61 -2.236 -5.050 7.972 507 HB VAL 61 HB VAL 61 0.637 -6.011 8.032 508 HG11 VAL 61 HG11 VAL 61 -0.854 -4.225 9.954 509 HG12 VAL 61 HG12 VAL 61 0.466 -3.741 8.890 510 HG13 VAL 61 HG13 VAL 61 0.766 -4.872 10.211 511 HG21 VAL 61 HG21 VAL 61 -0.038 -7.184 10.082 512 HG22 VAL 61 HG22 VAL 61 -0.940 -7.748 8.675 513 HG23 VAL 61 HG23 VAL 61 -1.701 -6.650 9.829 514 H VAL 62 H VAL 62 0.493 -5.186 5.701 515 HA VAL 62 HA VAL 62 1.000 -2.399 5.743 516 HB VAL 62 HB VAL 62 1.673 -4.369 3.543 517 HG11 VAL 62 HG11 VAL 62 3.436 -2.779 2.952 518 HG12 VAL 62 HG12 VAL 62 2.895 -1.693 4.232 519 HG13 VAL 62 HG13 VAL 62 1.849 -2.019 2.851 520 HG21 VAL 62 HG21 VAL 62 2.565 -5.101 5.692 521 HG22 VAL 62 HG22 VAL 62 3.292 -3.516 5.947 522 HG23 VAL 62 HG23 VAL 62 3.865 -4.548 4.637 523 H CYS 63 H CYS 63 -1.141 -4.424 3.837 524 HA CYS 63 HA CYS 63 -1.839 -2.453 1.921 525 HB2 CYS 63 HB2 CYS 63 -2.329 -4.835 1.574 526 HB3 CYS 63 HB3 CYS 63 -3.436 -4.814 2.941 527 HG CYS 63 HG CYS 63 -5.269 -3.079 1.725 528 H ALA 64 H ALA 64 -3.066 -3.330 5.075 529 HA ALA 64 HA ALA 64 -5.433 -1.779 5.041 530 HB1 ALA 64 HB1 ALA 64 -3.796 -2.763 7.363 531 HB2 ALA 64 HB2 ALA 64 -5.086 -3.659 6.556 532 HB3 ALA 64 HB3 ALA 64 -5.460 -2.183 7.448 533 H MET 65 H MET 65 -2.180 -1.174 6.357 534 HA MET 65 HA MET 65 -2.827 1.364 7.431 535 HB2 MET 65 HB2 MET 65 -0.486 1.695 7.768 536 HB3 MET 65 HB3 MET 65 -0.812 -0.013 8.037 537 HG2 MET 65 HG2 MET 65 0.054 -0.553 5.851 538 HG3 MET 65 HG3 MET 65 0.307 1.154 5.506 539 HE1 MET 65 HE1 MET 65 2.663 -1.320 8.578 540 HE2 MET 65 HE2 MET 65 1.361 -1.922 7.547 541 HE3 MET 65 HE3 MET 65 0.997 -0.814 8.866 542 H ILE 66 H ILE 66 -1.671 0.324 4.274 543 HA ILE 66 HA ILE 66 -1.191 2.927 3.274 544 HB ILE 66 HB ILE 66 -1.205 0.208 2.153 545 HG12 ILE 66 HG12 ILE 66 0.726 1.111 0.890 546 HG13 ILE 66 HG13 ILE 66 0.359 2.714 1.513 547 HG21 ILE 66 HG21 ILE 66 -2.932 1.105 0.697 548 HG22 ILE 66 HG22 ILE 66 -1.430 0.887 -0.200 549 HG23 ILE 66 HG23 ILE 66 -1.921 2.500 0.318 550 HD11 ILE 66 HD11 ILE 66 2.222 1.611 2.712 551 HD12 ILE 66 HD12 ILE 66 1.114 0.335 3.221 552 HD13 ILE 66 HD13 ILE 66 0.864 1.990 3.768 553 H GLU 67 H GLU 67 -4.008 0.814 3.214 554 HA GLU 67 HA GLU 67 -5.579 2.459 1.509 555 HB2 GLU 67 HB2 GLU 67 -6.378 0.369 3.536 556 HB3 GLU 67 HB3 GLU 67 -7.520 1.168 2.465 557 HG2 GLU 67 HG2 GLU 67 -6.350 0.260 0.529 558 HG3 GLU 67 HG3 GLU 67 -5.181 -0.518 1.593 559 H GLY 68 H GLY 68 -5.041 2.348 4.956 560 HA2 GLY 68 HA2 GLY 68 -7.145 4.103 5.700 561 HA3 GLY 68 HA3 GLY 68 -5.734 3.712 6.671 562 H ALA 69 H ALA 69 -3.693 4.612 5.111 563 HA ALA 69 HA ALA 69 -3.772 7.415 5.636 564 HB1 ALA 69 HB1 ALA 69 -1.725 5.809 4.103 565 HB2 ALA 69 HB2 ALA 69 -1.706 6.106 5.840 566 HB3 ALA 69 HB3 ALA 69 -1.513 7.450 4.714 567 H GLN 70 H GLN 70 -4.027 5.416 2.760 568 HA GLN 70 HA GLN 70 -3.864 7.436 0.778 569 HB2 GLN 70 HB2 GLN 70 -3.888 4.899 0.444 570 HB3 GLN 70 HB3 GLN 70 -5.636 5.008 0.593 571 HG2 GLN 70 HG2 GLN 70 -5.405 6.809 -1.263 572 HG3 GLN 70 HG3 GLN 70 -3.843 6.031 -1.534 573 HE21 GLN 70 HE21 GLN 70 -6.319 6.196 -3.121 574 HE22 GLN 70 HE22 GLN 70 -6.705 4.557 -3.524 575 H GLY 71 H GLY 71 -6.463 6.104 2.568 576 HA2 GLY 71 HA2 GLY 71 -8.630 7.521 1.324 577 HA3 GLY 71 HA3 GLY 71 -8.714 6.786 2.922 578 H ALA 72 H ALA 72 -6.589 8.216 4.056 579 HA ALA 72 HA ALA 72 -8.054 10.460 5.031 580 HB1 ALA 72 HB1 ALA 72 -6.138 10.855 6.470 581 HB2 ALA 72 HB2 ALA 72 -5.177 9.713 5.534 582 HB3 ALA 72 HB3 ALA 72 -6.559 9.142 6.469 583 H LEU 73 H LEU 73 -4.912 10.216 3.336 584 HA LEU 73 HA LEU 73 -4.665 12.979 2.985 585 HB2 LEU 73 HB2 LEU 73 -2.869 12.457 1.356 586 HB3 LEU 73 HB3 LEU 73 -2.685 11.667 2.903 587 HG LEU 73 HG LEU 73 -3.771 9.618 1.670 588 HD11 LEU 73 HD11 LEU 73 -3.160 9.491 -0.691 589 HD12 LEU 73 HD12 LEU 73 -2.635 11.173 -0.647 590 HD13 LEU 73 HD13 LEU 73 -4.334 10.773 -0.392 591 HD21 LEU 73 HD21 LEU 73 -1.538 8.856 1.024 592 HD22 LEU 73 HD22 LEU 73 -1.521 9.661 2.594 593 HD23 LEU 73 HD23 LEU 73 -0.935 10.508 1.163 594 H GLU 74 H GLU 74 -6.103 10.533 0.897 595 HA GLU 74 HA GLU 74 -6.381 12.010 -1.443 596 HB2 GLU 74 HB2 GLU 74 -6.865 9.686 -1.484 597 HB3 GLU 74 HB3 GLU 74 -8.013 9.817 -0.171 598 HG2 GLU 74 HG2 GLU 74 -9.124 9.341 -2.236 599 HG3 GLU 74 HG3 GLU 74 -9.585 10.947 -1.670 600 H ARG 75 H ARG 75 -8.725 11.687 1.215 601 HA ARG 75 HA ARG 75 -10.580 13.519 0.150 602 HB2 ARG 75 HB2 ARG 75 -10.148 12.625 2.997 603 HB3 ARG 75 HB3 ARG 75 -11.519 13.589 2.462 604 HG2 ARG 75 HG2 ARG 75 -12.225 11.820 0.976 605 HG3 ARG 75 HG3 ARG 75 -10.812 10.862 1.416 606 HD2 ARG 75 HD2 ARG 75 -11.610 10.761 3.726 607 HD3 ARG 75 HD3 ARG 75 -13.027 11.713 3.276 608 HE ARG 75 HE ARG 75 -13.207 9.683 1.568 609 HH11 ARG 75 HH11 ARG 75 -12.651 9.698 5.027 610 HH12 ARG 75 HH12 ARG 75 -13.331 8.127 5.269 611 HH21 ARG 75 HH21 ARG 75 -14.130 7.623 1.887 612 HH22 ARG 75 HH22 ARG 75 -14.202 6.952 3.485 613 H GLU 76 H GLU 76 -7.769 14.010 2.188 614 HA GLU 76 HA GLU 76 -8.440 16.727 2.782 615 HB2 GLU 76 HB2 GLU 76 -7.018 15.402 4.283 616 HB3 GLU 76 HB3 GLU 76 -5.777 15.325 3.040 617 HG2 GLU 76 HG2 GLU 76 -5.398 17.677 3.174 618 HG3 GLU 76 HG3 GLU 76 -6.791 17.891 4.232 619 H LEU 77 H LEU 77 -5.837 15.322 0.646 620 HA LEU 77 HA LEU 77 -5.000 17.727 -0.345 621 HB2 LEU 77 HB2 LEU 77 -4.046 16.422 -2.239 622 HB3 LEU 77 HB3 LEU 77 -3.648 15.797 -0.659 623 HG LEU 77 HG LEU 77 -5.483 14.063 -1.045 624 HD11 LEU 77 HD11 LEU 77 -6.061 13.552 -3.334 625 HD12 LEU 77 HD12 LEU 77 -5.146 14.950 -3.901 626 HD13 LEU 77 HD13 LEU 77 -6.595 15.181 -2.920 627 HD21 LEU 77 HD21 LEU 77 -3.115 13.545 -1.116 628 HD22 LEU 77 HD22 LEU 77 -3.029 14.063 -2.798 629 HD23 LEU 77 HD23 LEU 77 -3.984 12.645 -2.358 630 H LYS 78 H LYS 78 -7.930 16.115 -1.053 631 HA LYS 78 HA LYS 78 -8.212 17.148 -3.693 632 HB2 LYS 78 HB2 LYS 78 -9.881 15.635 -1.790 633 HB3 LYS 78 HB3 LYS 78 -10.727 16.547 -3.051 634 HG2 LYS 78 HG2 LYS 78 -8.519 14.565 -3.556 635 HG3 LYS 78 HG3 LYS 78 -10.243 14.185 -3.660 636 HD2 LYS 78 HD2 LYS 78 -10.539 15.482 -5.557 637 HD3 LYS 78 HD3 LYS 78 -9.128 16.482 -5.228 638 HE2 LYS 78 HE2 LYS 78 -8.774 14.974 -7.133 639 HE3 LYS 78 HE3 LYS 78 -7.655 14.647 -5.812 640 HZ1 LYS 78 HZ1 LYS 78 -9.062 12.789 -5.143 641 HZ2 LYS 78 HZ2 LYS 78 -8.514 12.620 -6.734 642 HZ3 LYS 78 HZ3 LYS 78 -10.109 13.100 -6.446 643 H ARG 79 H ARG 79 -8.907 18.245 -0.484 644 HA ARG 79 HA ARG 79 -10.838 20.212 -1.220 645 HB2 ARG 79 HB2 ARG 79 -10.510 19.083 1.066 646 HB3 ARG 79 HB3 ARG 79 -9.192 20.215 1.311 647 HG2 ARG 79 HG2 ARG 79 -11.923 21.212 0.604 648 HG3 ARG 79 HG3 ARG 79 -11.538 20.751 2.261 649 HD2 ARG 79 HD2 ARG 79 -9.796 22.388 2.377 650 HD3 ARG 79 HD3 ARG 79 -9.937 22.739 0.655 651 HE ARG 79 HE ARG 79 -12.334 23.416 1.361 652 HH11 ARG 79 HH11 ARG 79 -9.400 23.988 3.214 653 HH12 ARG 79 HH12 ARG 79 -10.027 25.398 3.987 654 HH21 ARG 79 HH21 ARG 79 -13.140 25.281 2.379 655 HH22 ARG 79 HH22 ARG 79 -12.155 26.141 3.512 656 H THR 80 H THR 80 -7.362 20.154 -0.968 657 HA THR 80 HA THR 80 -7.229 23.045 -1.272 658 HB THR 80 HB THR 80 -4.686 22.520 -1.180 659 HG1 THR 80 HG1 THR 80 -4.970 20.226 -1.440 660 HG21 THR 80 HG21 THR 80 -4.758 22.503 1.270 661 HG22 THR 80 HG22 THR 80 -6.457 22.035 1.222 662 HG23 THR 80 HG23 THR 80 -5.961 23.614 0.617 663 H ASP 81 H ASP 81 -7.612 20.486 -3.344 664 HA ASP 81 HA ASP 81 -5.763 21.405 -5.363 665 HB2 ASP 81 HB2 ASP 81 -5.972 19.034 -5.127 666 HB3 ASP 81 HB3 ASP 81 -7.729 19.123 -5.190 667 H LEU 82 H LEU 82 -6.374 22.345 -7.254 668 HA LEU 82 HA LEU 82 -9.036 22.800 -8.048 669 HB2 LEU 82 HB2 LEU 82 -9.217 25.243 -7.652 670 HB3 LEU 82 HB3 LEU 82 -9.280 24.270 -6.197 671 HG LEU 82 HG LEU 82 -6.707 24.835 -6.077 672 HD11 LEU 82 HD11 LEU 82 -7.776 27.149 -7.684 673 HD12 LEU 82 HD12 LEU 82 -6.583 25.970 -8.229 674 HD13 LEU 82 HD13 LEU 82 -6.195 27.067 -6.905 675 HD21 LEU 82 HD21 LEU 82 -8.342 25.439 -4.392 676 HD22 LEU 82 HD22 LEU 82 -8.887 26.796 -5.378 677 HD23 LEU 82 HD23 LEU 82 -7.255 26.792 -4.706 678 H ASN 83 H ASN 83 -5.770 23.485 -8.387 679 HA ASN 83 HA ASN 83 -6.066 25.021 -10.809 680 HB2 ASN 83 HB2 ASN 83 -4.439 25.101 -8.925 681 HB3 ASN 83 HB3 ASN 83 -3.553 23.891 -9.874 682 HD21 ASN 83 HD21 ASN 83 -2.044 24.952 -10.831 683 HD22 ASN 83 HD22 ASN 83 -2.262 26.348 -11.841 684 H ILE 84 H ILE 84 -5.134 24.462 -12.803 685 HA ILE 84 HA ILE 84 -6.117 22.032 -13.773 686 HB ILE 84 HB ILE 84 -4.141 23.895 -15.098 687 HG12 ILE 84 HG12 ILE 84 -7.161 23.790 -15.267 688 HG13 ILE 84 HG13 ILE 84 -6.234 25.004 -14.394 689 HG21 ILE 84 HG21 ILE 84 -4.204 21.706 -16.177 690 HG22 ILE 84 HG22 ILE 84 -4.961 22.926 -17.202 691 HG23 ILE 84 HG23 ILE 84 -5.962 21.798 -16.288 692 HD11 ILE 84 HD11 ILE 84 -5.263 25.771 -16.491 693 HD12 ILE 84 HD12 ILE 84 -7.026 25.838 -16.533 694 HD13 ILE 84 HD13 ILE 84 -6.174 24.539 -17.364 695 H LEU 85 H LEU 85 -2.722 23.006 -13.064 696 HA LEU 85 HA LEU 85 -1.636 20.613 -14.163 697 HB2 LEU 85 HB2 LEU 85 -0.398 22.724 -14.093 698 HB3 LEU 85 HB3 LEU 85 -0.467 22.722 -12.344 699 HG LEU 85 HG LEU 85 0.879 20.604 -12.379 700 HD11 LEU 85 HD11 LEU 85 1.182 21.310 -15.291 701 HD12 LEU 85 HD12 LEU 85 0.404 19.871 -14.630 702 HD13 LEU 85 HD13 LEU 85 2.139 20.110 -14.425 703 HD21 LEU 85 HD21 LEU 85 2.996 21.753 -12.831 704 HD22 LEU 85 HD22 LEU 85 1.891 22.755 -11.891 705 HD23 LEU 85 HD23 LEU 85 2.110 23.063 -13.615 706 H GLU 86 H GLU 86 -2.227 21.887 -10.931 707 HA GLU 86 HA GLU 86 -1.244 19.757 -9.454 708 HB2 GLU 86 HB2 GLU 86 -3.378 21.805 -8.881 709 HB3 GLU 86 HB3 GLU 86 -2.911 20.597 -7.695 710 HG2 GLU 86 HG2 GLU 86 -1.756 22.649 -7.219 711 HG3 GLU 86 HG3 GLU 86 -0.592 21.456 -7.775 712 H ARG 87 H ARG 87 -4.479 20.301 -10.759 713 HA ARG 87 HA ARG 87 -5.729 18.045 -9.640 714 HB2 ARG 87 HB2 ARG 87 -6.316 19.579 -12.162 715 HB3 ARG 87 HB3 ARG 87 -7.256 18.165 -11.714 716 HG2 ARG 87 HG2 ARG 87 -7.744 19.310 -9.529 717 HG3 ARG 87 HG3 ARG 87 -6.999 20.754 -10.210 718 HD2 ARG 87 HD2 ARG 87 -9.312 19.289 -11.460 719 HD3 ARG 87 HD3 ARG 87 -9.483 20.686 -10.402 720 HE ARG 87 HE ARG 87 -8.084 21.881 -12.117 721 HH11 ARG 87 HH11 ARG 87 -10.122 19.159 -12.994 722 HH12 ARG 87 HH12 ARG 87 -10.385 19.716 -14.609 723 HH21 ARG 87 HH21 ARG 87 -8.442 22.615 -14.256 724 HH22 ARG 87 HH22 ARG 87 -9.415 21.673 -15.337 725 H PHE 88 H PHE 88 -4.014 18.434 -12.682 726 HA PHE 88 HA PHE 88 -4.380 15.811 -13.642 727 HB2 PHE 88 HB2 PHE 88 -3.735 17.628 -15.116 728 HB3 PHE 88 HB3 PHE 88 -2.232 17.854 -14.233 729 HD1 PHE 88 HD1 PHE 88 -4.065 15.139 -16.024 730 HD2 PHE 88 HD2 PHE 88 -0.336 16.992 -15.158 731 HE1 PHE 88 HE1 PHE 88 -2.939 13.578 -17.554 732 HE2 PHE 88 HE2 PHE 88 0.798 15.432 -16.686 733 HZ PHE 88 HZ PHE 88 -0.503 13.727 -17.885 734 H ASN 89 H ASN 89 -1.898 17.262 -11.601 735 HA ASN 89 HA ASN 89 -0.131 15.036 -11.600 736 HB2 ASN 89 HB2 ASN 89 -0.440 17.486 -9.921 737 HB3 ASN 89 HB3 ASN 89 0.540 16.166 -9.287 738 HD21 ASN 89 HD21 ASN 89 0.225 18.566 -11.793 739 HD22 ASN 89 HD22 ASN 89 1.862 18.460 -12.354 740 H TYR 90 H TYR 90 -2.550 16.138 -9.259 741 HA TYR 90 HA TYR 90 -2.416 14.050 -7.445 742 HB2 TYR 90 HB2 TYR 90 -4.695 15.794 -8.348 743 HB3 TYR 90 HB3 TYR 90 -4.909 14.584 -7.093 744 HD1 TYR 90 HD1 TYR 90 -1.712 16.395 -7.326 745 HD2 TYR 90 HD2 TYR 90 -5.562 16.299 -5.515 746 HE1 TYR 90 HE1 TYR 90 -0.963 18.018 -5.653 747 HE2 TYR 90 HE2 TYR 90 -4.817 17.913 -3.833 748 HH TYR 90 HH TYR 90 -2.067 19.751 -4.144 749 H GLU 91 H GLU 91 -4.417 14.335 -10.325 750 HA GLU 91 HA GLU 91 -5.782 11.892 -10.166 751 HB2 GLU 91 HB2 GLU 91 -6.102 13.924 -11.757 752 HB3 GLU 91 HB3 GLU 91 -4.954 13.094 -12.795 753 HG2 GLU 91 HG2 GLU 91 -7.526 11.860 -11.819 754 HG3 GLU 91 HG3 GLU 91 -7.364 12.720 -13.345 755 H GLU 92 H GLU 92 -2.621 12.678 -11.617 756 HA GLU 92 HA GLU 92 -2.217 10.125 -12.744 757 HB2 GLU 92 HB2 GLU 92 -1.033 12.186 -13.462 758 HB3 GLU 92 HB3 GLU 92 -0.149 12.174 -11.943 759 HG2 GLU 92 HG2 GLU 92 0.937 10.122 -12.515 760 HG3 GLU 92 HG3 GLU 92 -0.063 9.943 -13.955 761 H ALA 93 H ALA 93 -1.487 11.545 -9.600 762 HA ALA 93 HA ALA 93 0.158 9.454 -8.629 763 HB1 ALA 93 HB1 ALA 93 -1.597 11.399 -7.120 764 HB2 ALA 93 HB2 ALA 93 0.089 11.662 -7.566 765 HB3 ALA 93 HB3 ALA 93 -0.331 10.395 -6.412 766 H GLN 94 H GLN 94 -3.294 10.127 -8.557 767 HA GLN 94 HA GLN 94 -4.149 7.920 -7.043 768 HB2 GLN 94 HB2 GLN 94 -5.558 9.379 -9.288 769 HB3 GLN 94 HB3 GLN 94 -6.331 8.272 -8.164 770 HG2 GLN 94 HG2 GLN 94 -5.976 9.751 -6.341 771 HG3 GLN 94 HG3 GLN 94 -4.919 10.781 -7.306 772 HE21 GLN 94 HE21 GLN 94 -7.845 9.407 -8.582 773 HE22 GLN 94 HE22 GLN 94 -8.736 10.885 -8.677 774 H THR 95 H THR 95 -3.502 8.362 -10.447 775 HA THR 95 HA THR 95 -4.463 5.940 -11.431 776 HB THR 95 HB THR 95 -2.020 7.463 -12.388 777 HG1 THR 95 HG1 THR 95 -4.390 8.400 -12.320 778 HG21 THR 95 HG21 THR 95 -2.125 5.179 -13.265 779 HG22 THR 95 HG22 THR 95 -2.436 6.362 -14.538 780 HG23 THR 95 HG23 THR 95 -3.773 5.463 -13.821 781 H LEU 96 H LEU 96 -1.163 6.739 -10.183 782 HA LEU 96 HA LEU 96 -0.156 4.154 -10.676 783 HB2 LEU 96 HB2 LEU 96 0.862 6.293 -8.813 784 HB3 LEU 96 HB3 LEU 96 1.751 4.866 -9.306 785 HG LEU 96 HG LEU 96 0.880 7.114 -11.126 786 HD11 LEU 96 HD11 LEU 96 3.272 7.602 -11.286 787 HD12 LEU 96 HD12 LEU 96 3.604 6.348 -10.090 788 HD13 LEU 96 HD13 LEU 96 2.677 7.778 -9.634 789 HD21 LEU 96 HD21 LEU 96 2.508 4.635 -11.693 790 HD22 LEU 96 HD22 LEU 96 2.277 5.980 -12.809 791 HD23 LEU 96 HD23 LEU 96 0.898 4.999 -12.316 792 H SER 97 H SER 97 -1.586 5.697 -7.834 793 HA SER 97 HA SER 97 -0.918 3.649 -6.036 794 HB2 SER 97 HB2 SER 97 -2.935 4.593 -4.714 795 HB3 SER 97 HB3 SER 97 -1.548 5.642 -4.997 796 HG SER 97 HG SER 97 -2.685 6.818 -6.370 797 H LYS 98 H LYS 98 -3.718 4.139 -8.088 798 HA LYS 98 HA LYS 98 -5.261 1.960 -7.209 799 HB2 LYS 98 HB2 LYS 98 -5.106 3.187 -9.968 800 HB3 LYS 98 HB3 LYS 98 -6.332 2.035 -9.469 801 HG2 LYS 98 HG2 LYS 98 -5.968 4.582 -7.948 802 HG3 LYS 98 HG3 LYS 98 -6.848 4.582 -9.473 803 HD2 LYS 98 HD2 LYS 98 -8.414 4.363 -7.662 804 HD3 LYS 98 HD3 LYS 98 -8.355 2.845 -8.551 805 HE2 LYS 98 HE2 LYS 98 -7.038 1.815 -6.842 806 HE3 LYS 98 HE3 LYS 98 -6.796 3.354 -6.011 807 HZ1 LYS 98 HZ1 LYS 98 -9.173 3.386 -5.540 808 HZ2 LYS 98 HZ2 LYS 98 -8.444 2.001 -4.909 809 HZ3 LYS 98 HZ3 LYS 98 -9.366 1.897 -6.316 810 H ILE 99 H ILE 99 -2.815 2.198 -9.732 811 HA ILE 99 HA ILE 99 -2.923 -0.436 -10.643 812 HB ILE 99 HB ILE 99 -0.525 1.411 -10.497 813 HG12 ILE 99 HG12 ILE 99 -2.420 0.864 -12.793 814 HG13 ILE 99 HG13 ILE 99 -2.490 2.286 -11.759 815 HG21 ILE 99 HG21 ILE 99 -0.952 -1.069 -12.169 816 HG22 ILE 99 HG22 ILE 99 0.158 -0.915 -10.807 817 HG23 ILE 99 HG23 ILE 99 0.430 0.021 -12.277 818 HD11 ILE 99 HD11 ILE 99 -1.396 2.744 -13.891 819 HD12 ILE 99 HD12 ILE 99 -0.173 1.527 -13.522 820 HD13 ILE 99 HD13 ILE 99 -0.300 2.979 -12.531 821 H LEU 100 H LEU 100 -1.044 1.080 -8.072 822 HA LEU 100 HA LEU 100 0.508 -1.096 -7.290 823 HB2 LEU 100 HB2 LEU 100 0.980 1.179 -6.602 824 HB3 LEU 100 HB3 LEU 100 -0.503 1.233 -5.673 825 HG LEU 100 HG LEU 100 0.397 -0.514 -4.175 826 HD11 LEU 100 HD11 LEU 100 2.922 -0.144 -5.781 827 HD12 LEU 100 HD12 LEU 100 1.930 -1.602 -5.706 828 HD13 LEU 100 HD13 LEU 100 2.787 -1.044 -4.270 829 HD21 LEU 100 HD21 LEU 100 1.968 0.930 -3.018 830 HD22 LEU 100 HD22 LEU 100 0.606 1.864 -3.630 831 HD23 LEU 100 HD23 LEU 100 2.159 1.916 -4.465 832 H LEU 101 H LEU 101 -2.581 0.045 -5.893 833 HA LEU 101 HA LEU 101 -2.788 -2.044 -3.987 834 HB2 LEU 101 HB2 LEU 101 -4.721 -0.070 -5.141 835 HB3 LEU 101 HB3 LEU 101 -5.348 -1.416 -4.219 836 HG LEU 101 HG LEU 101 -5.204 0.493 -2.790 837 HD11 LEU 101 HD11 LEU 101 -2.958 -1.395 -2.127 838 HD12 LEU 101 HD12 LEU 101 -4.667 -1.656 -1.787 839 HD13 LEU 101 HD13 LEU 101 -3.804 -0.336 -1.000 840 HD21 LEU 101 HD21 LEU 101 -3.554 1.807 -3.984 841 HD22 LEU 101 HD22 LEU 101 -2.288 0.663 -3.540 842 HD23 LEU 101 HD23 LEU 101 -3.082 1.627 -2.295 843 H LYS 102 H LYS 102 -3.991 -1.765 -7.333 844 HA LYS 102 HA LYS 102 -5.452 -4.140 -7.342 845 HB2 LYS 102 HB2 LYS 102 -5.569 -2.415 -9.103 846 HB3 LYS 102 HB3 LYS 102 -3.943 -2.841 -9.610 847 HG2 LYS 102 HG2 LYS 102 -4.723 -5.089 -10.196 848 HG3 LYS 102 HG3 LYS 102 -6.359 -4.640 -9.710 849 HD2 LYS 102 HD2 LYS 102 -6.174 -4.452 -12.105 850 HD3 LYS 102 HD3 LYS 102 -6.317 -2.836 -11.415 851 HE2 LYS 102 HE2 LYS 102 -4.621 -2.838 -13.142 852 HE3 LYS 102 HE3 LYS 102 -3.864 -2.585 -11.574 853 HZ1 LYS 102 HZ1 LYS 102 -2.624 -4.154 -12.913 854 HZ2 LYS 102 HZ2 LYS 102 -3.968 -5.159 -13.053 855 HZ3 LYS 102 HZ3 LYS 102 -3.241 -4.927 -11.552 856 H ASP 103 H ASP 103 -2.018 -3.546 -8.296 857 HA ASP 103 HA ASP 103 -1.481 -6.238 -8.937 858 HB2 ASP 103 HB2 ASP 103 -0.045 -4.086 -9.394 859 HB3 ASP 103 HB3 ASP 103 0.638 -4.424 -7.812 860 H LEU 104 H LEU 104 -1.439 -4.432 -5.827 861 HA LEU 104 HA LEU 104 -0.065 -6.280 -4.318 862 HB2 LEU 104 HB2 LEU 104 -0.666 -3.831 -3.906 863 HB3 LEU 104 HB3 LEU 104 -2.275 -4.381 -3.509 864 HG LEU 104 HG LEU 104 -0.827 -3.845 -1.558 865 HD11 LEU 104 HD11 LEU 104 -2.753 -5.257 -1.306 866 HD12 LEU 104 HD12 LEU 104 -1.447 -5.794 -0.243 867 HD13 LEU 104 HD13 LEU 104 -1.802 -6.681 -1.729 868 HD21 LEU 104 HD21 LEU 104 1.281 -4.664 -2.452 869 HD22 LEU 104 HD22 LEU 104 0.668 -6.316 -2.403 870 HD23 LEU 104 HD23 LEU 104 0.907 -5.420 -0.904 871 H LYS 105 H LYS 105 -3.567 -5.684 -4.733 872 HA LYS 105 HA LYS 105 -4.454 -7.876 -3.241 873 HB2 LYS 105 HB2 LYS 105 -5.661 -5.973 -5.111 874 HB3 LYS 105 HB3 LYS 105 -6.464 -7.535 -5.068 875 HG2 LYS 105 HG2 LYS 105 -7.449 -5.908 -3.508 876 HG3 LYS 105 HG3 LYS 105 -6.824 -7.342 -2.694 877 HD2 LYS 105 HD2 LYS 105 -4.791 -6.096 -2.101 878 HD3 LYS 105 HD3 LYS 105 -5.451 -4.663 -2.894 879 HE2 LYS 105 HE2 LYS 105 -5.783 -4.554 -0.482 880 HE3 LYS 105 HE3 LYS 105 -7.326 -4.660 -1.323 881 HZ1 LYS 105 HZ1 LYS 105 -7.527 -6.934 -0.725 882 HZ2 LYS 105 HZ2 LYS 105 -7.118 -6.100 0.685 883 HZ3 LYS 105 HZ3 LYS 105 -5.952 -7.017 -0.124 884 H GLU 106 H GLU 106 -3.449 -7.697 -6.601 885 HA GLU 106 HA GLU 106 -4.424 -10.230 -7.375 886 HB2 GLU 106 HB2 GLU 106 -3.622 -8.511 -8.979 887 HB3 GLU 106 HB3 GLU 106 -1.980 -8.769 -8.402 888 HG2 GLU 106 HG2 GLU 106 -2.091 -11.093 -9.160 889 HG3 GLU 106 HG3 GLU 106 -3.719 -10.812 -9.767 890 H THR 107 H THR 107 -1.525 -9.135 -5.792 891 HA THR 107 HA THR 107 -0.093 -11.576 -5.788 892 HB THR 107 HB THR 107 0.031 -9.385 -3.693 893 HG1 THR 107 HG1 THR 107 0.353 -8.512 -5.805 894 HG21 THR 107 HG21 THR 107 2.098 -11.391 -4.622 895 HG22 THR 107 HG22 THR 107 1.219 -11.451 -3.094 896 HG23 THR 107 HG23 THR 107 2.349 -10.133 -3.410 897 H GLU 108 H GLU 108 -2.210 -10.026 -3.368 898 HA GLU 108 HA GLU 108 -2.344 -11.904 -1.393 899 HB2 GLU 108 HB2 GLU 108 -3.424 -9.684 -1.378 900 HB3 GLU 108 HB3 GLU 108 -4.590 -10.244 -2.561 901 HG2 GLU 108 HG2 GLU 108 -5.378 -11.911 -0.884 902 HG3 GLU 108 HG3 GLU 108 -4.308 -11.145 0.293 903 H GLN 109 H GLN 109 -4.382 -11.778 -4.301 904 HA GLN 109 HA GLN 109 -5.849 -14.093 -3.806 905 HB2 GLN 109 HB2 GLN 109 -6.355 -12.382 -5.542 906 HB3 GLN 109 HB3 GLN 109 -5.041 -13.045 -6.508 907 HG2 GLN 109 HG2 GLN 109 -6.237 -15.254 -6.401 908 HG3 GLN 109 HG3 GLN 109 -7.604 -14.379 -5.712 909 HE21 GLN 109 HE21 GLN 109 -8.701 -12.883 -6.991 910 HE22 GLN 109 HE22 GLN 109 -8.596 -12.920 -8.717 911 H LYS 110 H LYS 110 -2.727 -13.649 -5.373 912 HA LYS 110 HA LYS 110 -2.552 -16.327 -6.289 913 HB2 LYS 110 HB2 LYS 110 -0.507 -14.134 -6.052 914 HB3 LYS 110 HB3 LYS 110 -0.124 -15.729 -6.693 915 HG2 LYS 110 HG2 LYS 110 -1.684 -15.469 -8.483 916 HG3 LYS 110 HG3 LYS 110 -2.309 -13.976 -7.787 917 HD2 LYS 110 HD2 LYS 110 -0.184 -12.870 -8.197 918 HD3 LYS 110 HD3 LYS 110 0.500 -14.378 -8.818 919 HE2 LYS 110 HE2 LYS 110 -1.079 -14.390 -10.647 920 HE3 LYS 110 HE3 LYS 110 -1.896 -12.973 -10.000 921 HZ1 LYS 110 HZ1 LYS 110 -0.024 -11.626 -10.490 922 HZ2 LYS 110 HZ2 LYS 110 -0.344 -12.540 -11.873 923 HZ3 LYS 110 HZ3 LYS 110 0.940 -12.966 -10.859 924 H VAL 111 H VAL 111 -1.172 -14.675 -3.449 925 HA VAL 111 HA VAL 111 0.274 -16.894 -2.532 926 HB VAL 111 HB VAL 111 0.320 -15.801 -0.327 927 HG11 VAL 111 HG11 VAL 111 0.747 -13.945 -2.646 928 HG12 VAL 111 HG12 VAL 111 1.918 -15.060 -1.933 929 HG13 VAL 111 HG13 VAL 111 1.352 -13.666 -1.014 930 HG21 VAL 111 HG21 VAL 111 -1.616 -13.830 -1.510 931 HG22 VAL 111 HG22 VAL 111 -0.787 -13.643 0.035 932 HG23 VAL 111 HG23 VAL 111 -1.942 -14.956 -0.195 933 H LYS 112 H LYS 112 -3.055 -15.872 -1.902 934 HA LYS 112 HA LYS 112 -3.634 -18.097 -0.198 935 HB2 LYS 112 HB2 LYS 112 -5.866 -17.288 -0.170 936 HB3 LYS 112 HB3 LYS 112 -4.835 -15.866 -0.235 937 HG2 LYS 112 HG2 LYS 112 -5.215 -15.969 -2.772 938 HG3 LYS 112 HG3 LYS 112 -6.562 -17.035 -2.377 939 HD2 LYS 112 HD2 LYS 112 -6.161 -14.214 -1.386 940 HD3 LYS 112 HD3 LYS 112 -7.317 -14.733 -2.609 941 HE2 LYS 112 HE2 LYS 112 -7.292 -15.511 0.297 942 HE3 LYS 112 HE3 LYS 112 -8.409 -14.406 -0.500 943 HZ1 LYS 112 HZ1 LYS 112 -8.167 -17.318 -1.041 944 HZ2 LYS 112 HZ2 LYS 112 -9.205 -16.263 -1.856 945 HZ3 LYS 112 HZ3 LYS 112 -9.422 -16.563 -0.209 946 H ASP 113 H ASP 113 -3.360 -17.707 -3.544 947 HA ASP 113 HA ASP 113 -5.186 -19.736 -4.401 948 HB2 ASP 113 HB2 ASP 113 -4.504 -17.971 -5.935 949 HB3 ASP 113 HB3 ASP 113 -2.825 -18.480 -5.812 950 H ILE 114 H ILE 114 -1.834 -19.696 -3.370 951 HA ILE 114 HA ILE 114 -1.128 -22.284 -4.330 952 HB ILE 114 HB ILE 114 0.033 -20.319 -2.411 953 HG12 ILE 114 HG12 ILE 114 2.117 -20.866 -3.658 954 HG13 ILE 114 HG13 ILE 114 1.212 -22.052 -4.587 955 HG21 ILE 114 HG21 ILE 114 1.710 -21.897 -1.556 956 HG22 ILE 114 HG22 ILE 114 0.799 -23.226 -2.276 957 HG23 ILE 114 HG23 ILE 114 0.076 -22.252 -0.995 958 HD11 ILE 114 HD11 ILE 114 -0.207 -20.289 -5.475 959 HD12 ILE 114 HD12 ILE 114 1.498 -19.989 -5.819 960 HD13 ILE 114 HD13 ILE 114 0.685 -19.093 -4.534 961 H GLN 115 H GLN 115 -1.818 -24.241 -3.652 962 HA GLN 115 HA GLN 115 -3.451 -24.458 -1.305 963 HB2 GLN 115 HB2 GLN 115 -3.685 -26.818 -1.956 964 HB3 GLN 115 HB3 GLN 115 -3.995 -25.759 -3.319 965 HG2 GLN 115 HG2 GLN 115 -1.665 -26.203 -4.097 966 HG3 GLN 115 HG3 GLN 115 -1.515 -27.383 -2.801 967 HE21 GLN 115 HE21 GLN 115 -4.330 -28.215 -3.096 968 HE22 GLN 115 HE22 GLN 115 -4.374 -29.186 -4.523 969 H THR 116 H THR 116 -2.696 -24.842 0.711 970 HA THR 116 HA THR 116 -0.147 -26.242 0.951 971 HB THR 116 HB THR 116 0.072 -24.754 3.072 972 HG1 THR 116 HG1 THR 116 -1.074 -22.662 1.805 973 HG21 THR 116 HG21 THR 116 1.194 -22.997 1.732 974 HG22 THR 116 HG22 THR 116 0.444 -23.672 0.287 975 HG23 THR 116 HG23 THR 116 1.606 -24.628 1.200 976 H GLN 117 H GLN 117 -0.139 -26.355 3.765 977 HA GLN 117 HA GLN 117 -2.308 -28.254 4.197 978 HB2 GLN 117 HB2 GLN 117 0.214 -27.816 5.784 979 HB3 GLN 117 HB3 GLN 117 -1.001 -29.028 6.139 980 HG2 GLN 117 HG2 GLN 117 -0.569 -30.133 4.033 981 HG3 GLN 117 HG3 GLN 117 0.598 -28.886 3.597 982 HE21 GLN 117 HE21 GLN 117 -0.035 -31.654 5.587 983 HE22 GLN 117 HE22 GLN 117 1.596 -31.897 6.108 Start of MODEL 5 1 H GLN 1 H1 GLN 1 23.588 24.677 17.180 2 HA GLN 1 HA GLN 1 25.209 23.007 16.843 3 HB2 GLN 1 HB2 GLN 1 24.328 22.015 19.562 4 HB3 GLN 1 HB3 GLN 1 25.262 21.038 18.443 5 HG2 GLN 1 HG2 GLN 1 26.804 21.939 19.973 6 HG3 GLN 1 HG3 GLN 1 27.006 22.865 18.490 7 HE21 GLN 1 HE21 GLN 1 25.954 22.915 21.769 8 HE22 GLN 1 HE22 GLN 1 25.778 24.627 21.918 9 H GLU 2 H GLU 2 22.133 23.557 16.739 10 HA GLU 2 HA GLU 2 21.454 20.903 15.720 11 HB2 GLU 2 HB2 GLU 2 19.151 21.162 16.579 12 HB3 GLU 2 HB3 GLU 2 20.341 21.101 17.867 13 HG2 GLU 2 HG2 GLU 2 19.106 23.648 16.818 14 HG3 GLU 2 HG3 GLU 2 18.508 22.759 18.213 15 H HIS 3 H HIS 3 21.089 21.038 13.623 16 HA HIS 3 HA HIS 3 19.318 23.094 12.628 17 HB2 HIS 3 HB2 HIS 3 20.799 23.725 10.728 18 HB3 HIS 3 HB3 HIS 3 21.452 24.202 12.280 19 HD1 HIS 3 HD1 HIS 3 23.682 23.044 13.027 20 HD2 HIS 3 HD2 HIS 3 22.324 21.900 9.265 21 HE1 HIS 3 HE1 HIS 3 25.618 21.907 11.921 22 HE2 HIS 3 HE2 HIS 3 24.851 21.482 9.575 23 H LYS 4 H LYS 4 17.957 21.177 12.541 24 HA LYS 4 HA LYS 4 18.614 19.396 10.311 25 HB2 LYS 4 HB2 LYS 4 16.779 19.078 12.684 26 HB3 LYS 4 HB3 LYS 4 16.682 18.023 11.285 27 HG2 LYS 4 HG2 LYS 4 17.955 16.890 12.915 28 HG3 LYS 4 HG3 LYS 4 19.095 17.437 11.688 29 HD2 LYS 4 HD2 LYS 4 19.756 19.295 13.111 30 HD3 LYS 4 HD3 LYS 4 18.556 18.820 14.316 31 HE2 LYS 4 HE2 LYS 4 20.886 17.127 13.414 32 HE3 LYS 4 HE3 LYS 4 20.844 18.080 14.896 33 HZ1 LYS 4 HZ1 LYS 4 19.019 16.740 15.690 34 HZ2 LYS 4 HZ2 LYS 4 20.308 15.736 15.278 35 HZ3 LYS 4 HZ3 LYS 4 18.972 15.860 14.253 36 HA PRO 5 HA PRO 5 15.295 21.179 7.957 37 HB2 PRO 5 HB2 PRO 5 14.857 19.172 6.202 38 HB3 PRO 5 HB3 PRO 5 16.311 20.176 6.135 39 HG2 PRO 5 HG2 PRO 5 15.954 17.443 7.305 40 HG3 PRO 5 HG3 PRO 5 17.276 18.063 6.297 41 HD2 PRO 5 HD2 PRO 5 17.447 17.844 9.001 42 HD3 PRO 5 HD3 PRO 5 18.311 19.087 8.074 43 H LYS 6 H LYS 6 14.955 17.941 9.387 44 HA LYS 6 HA LYS 6 12.136 17.848 9.006 45 HB2 LYS 6 HB2 LYS 6 13.416 15.777 9.255 46 HB3 LYS 6 HB3 LYS 6 13.883 16.241 10.885 47 HG2 LYS 6 HG2 LYS 6 11.519 16.171 11.569 48 HG3 LYS 6 HG3 LYS 6 11.078 15.655 9.942 49 HD2 LYS 6 HD2 LYS 6 12.956 14.142 11.759 50 HD3 LYS 6 HD3 LYS 6 11.234 13.799 11.600 51 HE2 LYS 6 HE2 LYS 6 11.610 13.441 9.157 52 HE3 LYS 6 HE3 LYS 6 13.339 13.613 9.452 53 HZ1 LYS 6 HZ1 LYS 6 11.572 11.540 10.636 54 HZ2 LYS 6 HZ2 LYS 6 13.221 11.705 10.950 55 HZ3 LYS 6 HZ3 LYS 6 12.694 11.299 9.398 56 H LYS 7 H LYS 7 11.362 19.779 9.801 57 HA LYS 7 HA LYS 7 11.612 20.360 12.634 58 HB2 LYS 7 HB2 LYS 7 10.189 22.320 12.113 59 HB3 LYS 7 HB3 LYS 7 11.613 22.241 11.088 60 HG2 LYS 7 HG2 LYS 7 10.323 21.450 9.230 61 HG3 LYS 7 HG3 LYS 7 8.893 21.259 10.241 62 HD2 LYS 7 HD2 LYS 7 10.250 23.905 9.737 63 HD3 LYS 7 HD3 LYS 7 8.901 23.283 8.779 64 HE2 LYS 7 HE2 LYS 7 8.748 23.627 11.770 65 HE3 LYS 7 HE3 LYS 7 8.308 24.905 10.639 66 HZ1 LYS 7 HZ1 LYS 7 6.615 23.500 9.715 67 HZ2 LYS 7 HZ2 LYS 7 6.394 23.578 11.383 68 HZ3 LYS 7 HZ3 LYS 7 7.057 22.194 10.690 69 H ASP 8 H ASP 8 9.325 19.025 10.380 70 HA ASP 8 HA ASP 8 7.218 18.977 12.386 71 HB2 ASP 8 HB2 ASP 8 7.175 18.244 9.456 72 HB3 ASP 8 HB3 ASP 8 5.771 18.211 10.522 73 H ASP 9 H ASP 9 8.745 17.434 13.544 74 HA ASP 9 HA ASP 9 8.807 14.727 12.572 75 HB2 ASP 9 HB2 ASP 9 10.635 15.618 13.947 76 HB3 ASP 9 HB3 ASP 9 9.517 15.901 15.274 77 H PHE 10 H PHE 10 7.080 16.529 15.062 78 HA PHE 10 HA PHE 10 5.205 14.272 15.326 79 HB2 PHE 10 HB2 PHE 10 6.638 14.914 17.365 80 HB3 PHE 10 HB3 PHE 10 5.689 16.393 17.430 81 HD1 PHE 10 HD1 PHE 10 5.274 12.692 17.347 82 HD2 PHE 10 HD2 PHE 10 3.759 16.428 18.716 83 HE1 PHE 10 HE1 PHE 10 3.572 11.512 18.676 84 HE2 PHE 10 HE2 PHE 10 2.054 15.254 20.046 85 HZ PHE 10 HZ PHE 10 1.960 12.792 20.028 86 H ARG 11 H ARG 11 4.825 15.938 13.258 87 HA ARG 11 HA ARG 11 2.459 17.446 14.059 88 HB2 ARG 11 HB2 ARG 11 4.723 18.539 12.400 89 HB3 ARG 11 HB3 ARG 11 3.105 19.218 12.337 90 HG2 ARG 11 HG2 ARG 11 4.896 19.068 14.756 91 HG3 ARG 11 HG3 ARG 11 4.498 20.514 13.825 92 HD2 ARG 11 HD2 ARG 11 2.112 20.168 14.412 93 HD3 ARG 11 HD3 ARG 11 2.593 18.818 15.434 94 HE ARG 11 HE ARG 11 3.416 21.610 15.888 95 HH11 ARG 11 HH11 ARG 11 2.594 18.417 17.115 96 HH12 ARG 11 HH12 ARG 11 2.589 18.915 18.771 97 HH21 ARG 11 HH21 ARG 11 3.417 22.262 18.082 98 HH22 ARG 11 HH22 ARG 11 3.063 21.113 19.322 99 H ASN 12 H ASN 12 1.054 16.045 13.195 100 HA ASN 12 HA ASN 12 1.358 15.142 10.453 101 HB2 ASN 12 HB2 ASN 12 0.497 13.573 12.143 102 HB3 ASN 12 HB3 ASN 12 -0.843 14.657 12.485 103 HD21 ASN 12 HD21 ASN 12 0.548 12.483 10.133 104 HD22 ASN 12 HD22 ASN 12 -0.904 12.225 9.228 105 H GLU 13 H GLU 13 0.264 17.851 11.959 106 HA GLU 13 HA GLU 13 -2.055 18.399 10.367 107 HB2 GLU 13 HB2 GLU 13 -0.431 20.295 12.065 108 HB3 GLU 13 HB3 GLU 13 -2.064 20.556 11.468 109 HG2 GLU 13 HG2 GLU 13 -1.225 18.445 13.443 110 HG3 GLU 13 HG3 GLU 13 -2.047 19.955 13.826 111 H PHE 14 H PHE 14 -1.324 18.207 8.299 112 HA PHE 14 HA PHE 14 -0.272 18.668 6.321 113 HB2 PHE 14 HB2 PHE 14 -0.791 21.465 7.346 114 HB3 PHE 14 HB3 PHE 14 -0.365 21.078 5.683 115 HD1 PHE 14 HD2 PHE 14 -1.918 19.638 4.338 116 HD2 PHE 14 HD1 PHE 14 -3.007 21.283 8.108 117 HE1 PHE 14 HE2 PHE 14 -4.291 19.258 3.813 118 HE2 PHE 14 HE1 PHE 14 -5.383 20.904 7.592 119 HZ PHE 14 HZ PHE 14 -6.028 19.891 5.440 120 H ASP 15 H ASP 15 1.734 17.726 7.119 121 HA ASP 15 HA ASP 15 3.801 19.417 8.115 122 HB2 ASP 15 HB2 ASP 15 5.254 17.445 7.917 123 HB3 ASP 15 HB3 ASP 15 3.739 17.040 8.709 124 H HIS 16 H HIS 16 3.113 17.971 4.956 125 HA HIS 16 HA HIS 16 4.316 20.176 3.587 126 HB2 HIS 16 HB2 HIS 16 6.169 19.090 2.522 127 HB3 HIS 16 HB3 HIS 16 6.348 18.803 4.245 128 HD1 HIS 16 HD1 HIS 16 6.859 17.102 1.239 129 HD2 HIS 16 HD2 HIS 16 4.975 16.050 4.791 130 HE1 HIS 16 HE1 HIS 16 6.824 14.589 1.268 131 HE2 HIS 16 HE2 HIS 16 5.566 13.979 3.365 132 H LEU 17 H LEU 17 4.174 19.891 1.157 133 HA LEU 17 HA LEU 17 1.915 19.486 0.058 134 HB2 LEU 17 HB2 LEU 17 4.527 18.507 -1.043 135 HB3 LEU 17 HB3 LEU 17 3.058 18.469 -1.990 136 HG LEU 17 HG LEU 17 2.894 20.966 -1.690 137 HD11 LEU 17 HD11 LEU 17 4.981 22.148 -1.097 138 HD12 LEU 17 HD12 LEU 17 5.656 20.616 -0.544 139 HD13 LEU 17 HD13 LEU 17 4.242 21.301 0.257 140 HD21 LEU 17 HD21 LEU 17 5.365 19.906 -3.051 141 HD22 LEU 17 HD22 LEU 17 4.600 21.465 -3.364 142 HD23 LEU 17 HD23 LEU 17 3.743 19.970 -3.740 143 H LEU 18 H LEU 18 0.346 18.145 0.039 144 HA LEU 18 HA LEU 18 0.369 15.586 1.122 145 HB2 LEU 18 HB2 LEU 18 -1.617 16.714 -0.845 146 HB3 LEU 18 HB3 LEU 18 -1.896 15.394 0.272 147 HG LEU 18 HG LEU 18 -1.357 18.257 1.080 148 HD11 LEU 18 HD11 LEU 18 -3.934 16.703 1.101 149 HD12 LEU 18 HD12 LEU 18 -3.520 17.994 -0.026 150 HD13 LEU 18 HD13 LEU 18 -3.700 18.347 1.693 151 HD21 LEU 18 HD21 LEU 18 -2.029 17.509 3.315 152 HD22 LEU 18 HD22 LEU 18 -0.594 16.653 2.749 153 HD23 LEU 18 HD23 LEU 18 -2.166 15.856 2.719 154 H ILE 19 H ILE 19 0.631 16.641 -2.239 155 HA ILE 19 HA ILE 19 0.462 14.115 -3.434 156 HB ILE 19 HB ILE 19 1.771 16.675 -4.337 157 HG12 ILE 19 HG12 ILE 19 -0.662 16.618 -4.277 158 HG13 ILE 19 HG13 ILE 19 -0.088 16.681 -5.940 159 HG21 ILE 19 HG21 ILE 19 1.567 14.116 -5.929 160 HG22 ILE 19 HG22 ILE 19 3.056 14.838 -5.321 161 HG23 ILE 19 HG23 ILE 19 2.106 15.678 -6.547 162 HD11 ILE 19 HD11 ILE 19 -1.921 15.144 -5.786 163 HD12 ILE 19 HD12 ILE 19 -1.139 14.263 -4.481 164 HD13 ILE 19 HD13 ILE 19 -0.445 14.231 -6.104 165 H GLU 20 H GLU 20 3.252 15.971 -2.289 166 HA GLU 20 HA GLU 20 5.278 14.214 -3.063 167 HB2 GLU 20 HB2 GLU 20 5.114 16.113 -0.725 168 HB3 GLU 20 HB3 GLU 20 6.585 15.280 -1.208 169 HG2 GLU 20 HG2 GLU 20 5.030 17.117 -3.009 170 HG3 GLU 20 HG3 GLU 20 6.390 17.630 -2.010 171 H GLN 21 H GLN 21 3.195 14.253 -0.250 172 HA GLN 21 HA GLN 21 4.520 12.200 1.194 173 HB2 GLN 21 HB2 GLN 21 2.855 13.881 2.109 174 HB3 GLN 21 HB3 GLN 21 1.592 12.939 1.334 175 HG2 GLN 21 HG2 GLN 21 1.628 12.288 3.598 176 HG3 GLN 21 HG3 GLN 21 2.372 10.974 2.691 177 HE21 GLN 21 HE21 GLN 21 2.624 11.723 5.506 178 HE22 GLN 21 HE22 GLN 21 4.308 11.971 5.791 179 H ALA 22 H ALA 22 1.612 12.214 -0.899 180 HA ALA 22 HA ALA 22 1.067 9.488 -0.836 181 HB1 ALA 22 HB1 ALA 22 -0.486 11.168 -1.692 182 HB2 ALA 22 HB2 ALA 22 -0.229 9.877 -2.865 183 HB3 ALA 22 HB3 ALA 22 0.565 11.437 -3.082 184 H ASN 23 H ASN 23 3.160 11.347 -2.923 185 HA ASN 23 HA ASN 23 3.777 9.281 -4.767 186 HB2 ASN 23 HB2 ASN 23 5.103 11.893 -4.109 187 HB3 ASN 23 HB3 ASN 23 5.872 10.754 -5.210 188 HD21 ASN 23 HD21 ASN 23 5.690 12.146 -6.948 189 HD22 ASN 23 HD22 ASN 23 4.178 12.463 -7.729 190 H HIS 24 H HIS 24 5.226 10.263 -1.722 191 HA HIS 24 HA HIS 24 7.479 8.530 -1.993 192 HB2 HIS 24 HB2 HIS 24 7.373 10.509 -0.435 193 HB3 HIS 24 HB3 HIS 24 6.288 9.575 0.585 194 HD1 HIS 24 HD1 HIS 24 7.568 8.829 2.555 195 HD2 HIS 24 HD2 HIS 24 9.834 8.599 -0.917 196 HE1 HIS 24 HE1 HIS 24 9.776 7.865 3.254 197 HE2 HIS 24 HE2 HIS 24 11.196 7.977 1.184 198 H ALA 25 H ALA 25 4.250 8.187 -0.508 199 HA ALA 25 HA ALA 25 4.600 5.699 0.624 200 HB1 ALA 25 HB1 ALA 25 2.105 6.798 -0.658 201 HB2 ALA 25 HB2 ALA 25 2.652 7.153 0.980 202 HB3 ALA 25 HB3 ALA 25 2.186 5.508 0.542 203 H ILE 26 H ILE 26 3.521 6.491 -2.702 204 HA ILE 26 HA ILE 26 3.171 3.783 -3.441 205 HB ILE 26 HB ILE 26 3.169 4.536 -5.796 206 HG12 ILE 26 HG12 ILE 26 3.807 7.256 -4.637 207 HG13 ILE 26 HG13 ILE 26 4.886 6.282 -5.627 208 HG21 ILE 26 HG21 ILE 26 1.202 5.990 -5.638 209 HG22 ILE 26 HG22 ILE 26 1.549 6.258 -3.930 210 HG23 ILE 26 HG23 ILE 26 1.125 4.643 -4.501 211 HD11 ILE 26 HD11 ILE 26 2.252 7.436 -6.518 212 HD12 ILE 26 HD12 ILE 26 3.362 6.490 -7.511 213 HD13 ILE 26 HD13 ILE 26 3.847 8.075 -6.908 214 H GLU 27 H GLU 27 5.969 5.919 -3.573 215 HA GLU 27 HA GLU 27 7.757 4.374 -5.036 216 HB2 GLU 27 HB2 GLU 27 8.148 6.127 -2.617 217 HB3 GLU 27 HB3 GLU 27 9.498 5.315 -3.393 218 HG2 GLU 27 HG2 GLU 27 7.638 7.178 -4.834 219 HG3 GLU 27 HG3 GLU 27 9.131 7.698 -4.047 220 H LYS 28 H LYS 28 7.141 4.310 -1.542 221 HA LYS 28 HA LYS 28 8.784 2.101 -0.967 222 HB2 LYS 28 HB2 LYS 28 7.986 3.621 0.770 223 HB3 LYS 28 HB3 LYS 28 6.332 3.092 0.495 224 HG2 LYS 28 HG2 LYS 28 6.925 0.835 1.227 225 HG3 LYS 28 HG3 LYS 28 8.586 1.362 1.499 226 HD2 LYS 28 HD2 LYS 28 6.149 2.456 2.896 227 HD3 LYS 28 HD3 LYS 28 7.279 1.284 3.576 228 HE2 LYS 28 HE2 LYS 28 7.904 4.116 2.745 229 HE3 LYS 28 HE3 LYS 28 7.780 3.509 4.392 230 HZ1 LYS 28 HZ1 LYS 28 9.672 2.049 3.940 231 HZ2 LYS 28 HZ2 LYS 28 10.071 3.676 3.736 232 HZ3 LYS 28 HZ3 LYS 28 9.814 2.699 2.385 233 H GLY 29 H GLY 29 5.321 2.339 -1.756 234 HA2 GLY 29 HA2 GLY 29 4.582 -0.300 -1.337 235 HA3 GLY 29 HA3 GLY 29 3.832 0.790 -2.490 236 H GLU 30 H GLU 30 5.917 1.215 -4.215 237 HA GLU 30 HA GLU 30 5.691 -1.030 -5.904 238 HB2 GLU 30 HB2 GLU 30 7.484 1.379 -5.987 239 HB3 GLU 30 HB3 GLU 30 7.570 0.117 -7.207 240 HG2 GLU 30 HG2 GLU 30 5.261 0.492 -7.799 241 HG3 GLU 30 HG3 GLU 30 5.113 1.721 -6.540 242 H HIS 31 H HIS 31 8.274 0.057 -3.773 243 HA HIS 31 HA HIS 31 10.170 -1.878 -4.593 244 HB2 HIS 31 HB2 HIS 31 10.733 0.233 -3.399 245 HB3 HIS 31 HB3 HIS 31 10.016 -0.438 -1.938 246 HD1 HIS 31 HD1 HIS 31 11.626 -1.589 -0.424 247 HD2 HIS 31 HD2 HIS 31 13.001 -1.442 -4.342 248 HE1 HIS 31 HE1 HIS 31 13.943 -2.562 -0.369 249 HE2 HIS 31 HE2 HIS 31 14.652 -2.656 -2.779 250 H GLN 32 H GLN 32 7.922 -1.772 -1.843 251 HA GLN 32 HA GLN 32 8.752 -4.316 -0.848 252 HB2 GLN 32 HB2 GLN 32 6.872 -4.145 0.725 253 HB3 GLN 32 HB3 GLN 32 7.813 -2.675 0.674 254 HG2 GLN 32 HG2 GLN 32 5.662 -1.863 0.744 255 HG3 GLN 32 HG3 GLN 32 6.011 -1.836 -0.980 256 HE21 GLN 32 HE21 GLN 32 5.260 -4.771 0.808 257 HE22 GLN 32 HE22 GLN 32 3.734 -5.041 0.057 258 H LEU 33 H LEU 33 6.250 -3.317 -3.093 259 HA LEU 33 HA LEU 33 4.859 -5.781 -3.140 260 HB2 LEU 33 HB2 LEU 33 3.829 -3.765 -3.978 261 HB3 LEU 33 HB3 LEU 33 5.088 -3.557 -5.171 262 HG LEU 33 HG LEU 33 2.718 -4.434 -5.869 263 HD11 LEU 33 HD11 LEU 33 5.243 -5.701 -6.904 264 HD12 LEU 33 HD12 LEU 33 4.573 -4.144 -7.394 265 HD13 LEU 33 HD13 LEU 33 3.693 -5.628 -7.747 266 HD21 LEU 33 HD21 LEU 33 2.507 -6.859 -5.927 267 HD22 LEU 33 HD22 LEU 33 2.670 -6.320 -4.257 268 HD23 LEU 33 HD23 LEU 33 4.044 -7.051 -5.087 269 H LEU 34 H LEU 34 7.497 -4.488 -5.208 270 HA LEU 34 HA LEU 34 7.610 -6.763 -6.873 271 HB2 LEU 34 HB2 LEU 34 9.735 -4.715 -6.219 272 HB3 LEU 34 HB3 LEU 34 9.805 -5.854 -7.547 273 HG LEU 34 HG LEU 34 7.707 -3.699 -7.274 274 HD11 LEU 34 HD11 LEU 34 8.913 -2.520 -9.023 275 HD12 LEU 34 HD12 LEU 34 10.183 -3.747 -8.993 276 HD13 LEU 34 HD13 LEU 34 9.913 -2.719 -7.585 277 HD21 LEU 34 HD21 LEU 34 6.966 -5.612 -8.582 278 HD22 LEU 34 HD22 LEU 34 8.424 -5.520 -9.572 279 HD23 LEU 34 HD23 LEU 34 7.238 -4.215 -9.623 280 H TYR 35 H TYR 35 8.936 -5.934 -3.789 281 HA TYR 35 HA TYR 35 10.945 -7.937 -3.677 282 HB2 TYR 35 HB2 TYR 35 11.052 -5.991 -2.211 283 HB3 TYR 35 HB3 TYR 35 9.529 -6.450 -1.455 284 HD1 TYR 35 HD1 TYR 35 13.075 -7.405 -1.858 285 HD2 TYR 35 HD2 TYR 35 9.465 -8.054 0.294 286 HE1 TYR 35 HE1 TYR 35 14.307 -8.737 -0.200 287 HE2 TYR 35 HE2 TYR 35 10.676 -9.385 1.952 288 HH TYR 35 HH TYR 35 12.747 -10.683 2.114 289 H LEU 36 H LEU 36 7.643 -7.734 -2.226 290 HA LEU 36 HA LEU 36 7.692 -10.276 -1.083 291 HB2 LEU 36 HB2 LEU 36 5.364 -8.582 -1.964 292 HB3 LEU 36 HB3 LEU 36 5.225 -10.035 -0.996 293 HG LEU 36 HG LEU 36 6.634 -7.497 -0.167 294 HD11 LEU 36 HD11 LEU 36 4.216 -7.260 -0.218 295 HD12 LEU 36 HD12 LEU 36 4.811 -7.289 1.443 296 HD13 LEU 36 HD13 LEU 36 4.040 -8.719 0.756 297 HD21 LEU 36 HD21 LEU 36 7.715 -9.444 0.804 298 HD22 LEU 36 HD22 LEU 36 6.157 -10.072 1.331 299 HD23 LEU 36 HD23 LEU 36 6.793 -8.588 2.037 300 H GLN 37 H GLN 37 6.925 -9.245 -4.355 301 HA GLN 37 HA GLN 37 5.574 -11.506 -5.213 302 HB2 GLN 37 HB2 GLN 37 7.292 -9.500 -6.604 303 HB3 GLN 37 HB3 GLN 37 6.797 -10.944 -7.478 304 HG2 GLN 37 HG2 GLN 37 4.437 -10.387 -6.949 305 HG3 GLN 37 HG3 GLN 37 5.000 -8.878 -6.235 306 HE21 GLN 37 HE21 GLN 37 3.783 -7.712 -7.751 307 HE22 GLN 37 HE22 GLN 37 4.308 -7.542 -9.386 308 H HIS 38 H HIS 38 9.003 -10.990 -4.643 309 HA HIS 38 HA HIS 38 9.954 -13.349 -5.926 310 HB2 HIS 38 HB2 HIS 38 11.368 -11.377 -5.215 311 HB3 HIS 38 HB3 HIS 38 11.219 -11.964 -3.560 312 HD1 HIS 38 HD1 HIS 38 12.818 -12.771 -6.845 313 HD2 HIS 38 HD2 HIS 38 12.754 -14.216 -2.961 314 HE1 HIS 38 HE1 HIS 38 14.698 -14.414 -6.712 315 HE2 HIS 38 HE2 HIS 38 14.770 -15.127 -4.297 316 H GLN 39 H GLN 39 9.013 -12.604 -2.589 317 HA GLN 39 HA GLN 39 9.458 -15.108 -1.485 318 HB2 GLN 39 HB2 GLN 39 7.548 -12.902 -0.792 319 HB3 GLN 39 HB3 GLN 39 7.516 -14.420 0.095 320 HG2 GLN 39 HG2 GLN 39 9.944 -12.663 -0.206 321 HG3 GLN 39 HG3 GLN 39 8.870 -12.674 1.193 322 HE21 GLN 39 HE21 GLN 39 11.283 -14.442 -0.575 323 HE22 GLN 39 HE22 GLN 39 11.604 -15.628 0.638 324 H LEU 40 H LEU 40 6.497 -13.844 -3.037 325 HA LEU 40 HA LEU 40 4.839 -15.983 -2.907 326 HB2 LEU 40 HB2 LEU 40 4.288 -13.809 -3.904 327 HB3 LEU 40 HB3 LEU 40 5.340 -14.143 -5.258 328 HG LEU 40 HG LEU 40 2.940 -15.883 -4.714 329 HD11 LEU 40 HD11 LEU 40 1.719 -14.444 -6.315 330 HD12 LEU 40 HD12 LEU 40 3.034 -13.274 -6.215 331 HD13 LEU 40 HD13 LEU 40 2.071 -13.644 -4.785 332 HD21 LEU 40 HD21 LEU 40 4.590 -16.666 -6.357 333 HD22 LEU 40 HD22 LEU 40 4.423 -15.152 -7.244 334 HD23 LEU 40 HD23 LEU 40 3.055 -16.259 -7.122 335 H ASP 41 H ASP 41 7.372 -15.470 -5.375 336 HA ASP 41 HA ASP 41 6.972 -17.796 -6.853 337 HB2 ASP 41 HB2 ASP 41 8.492 -15.896 -7.472 338 HB3 ASP 41 HB3 ASP 41 9.650 -16.502 -6.295 339 H GLU 42 H GLU 42 8.839 -17.259 -3.943 340 HA GLU 42 HA GLU 42 9.962 -19.884 -3.817 341 HB2 GLU 42 HB2 GLU 42 11.077 -18.118 -2.628 342 HB3 GLU 42 HB3 GLU 42 9.623 -17.747 -1.712 343 HG2 GLU 42 HG2 GLU 42 9.804 -19.675 -0.415 344 HG3 GLU 42 HG3 GLU 42 10.940 -20.427 -1.531 345 H LEU 43 H LEU 43 7.185 -18.329 -2.348 346 HA LEU 43 HA LEU 43 6.225 -20.432 -0.794 347 HB2 LEU 43 HB2 LEU 43 5.265 -18.153 -0.762 348 HB3 LEU 43 HB3 LEU 43 4.535 -18.454 -2.327 349 HG LEU 43 HG LEU 43 3.226 -20.315 -1.280 350 HD11 LEU 43 HD11 LEU 43 4.315 -19.182 1.274 351 HD12 LEU 43 HD12 LEU 43 4.653 -20.778 0.603 352 HD13 LEU 43 HD13 LEU 43 3.025 -20.375 1.138 353 HD21 LEU 43 HD21 LEU 43 1.622 -18.847 -0.165 354 HD22 LEU 43 HD22 LEU 43 2.225 -18.129 -1.659 355 HD23 LEU 43 HD23 LEU 43 2.836 -17.569 -0.103 356 H ASN 44 H ASN 44 5.763 -19.825 -4.249 357 HA ASN 44 HA ASN 44 3.931 -21.863 -4.819 358 HB2 ASN 44 HB2 ASN 44 6.153 -20.700 -6.504 359 HB3 ASN 44 HB3 ASN 44 4.929 -21.790 -7.134 360 HD21 ASN 44 HD21 ASN 44 5.557 -19.105 -7.938 361 HD22 ASN 44 HD22 ASN 44 4.120 -18.175 -7.696 362 H GLU 45 H GLU 45 7.403 -21.927 -4.416 363 HA GLU 45 HA GLU 45 7.726 -24.642 -5.237 364 HB2 GLU 45 HB2 GLU 45 9.586 -22.858 -3.671 365 HB3 GLU 45 HB3 GLU 45 10.021 -24.370 -4.454 366 HG2 GLU 45 HG2 GLU 45 9.015 -21.919 -5.876 367 HG3 GLU 45 HG3 GLU 45 10.707 -22.383 -5.728 368 H ASN 46 H ASN 46 7.561 -23.018 -2.068 369 HA ASN 46 HA ASN 46 8.158 -25.470 -0.646 370 HB2 ASN 46 HB2 ASN 46 7.427 -22.692 0.273 371 HB3 ASN 46 HB3 ASN 46 7.644 -24.035 1.388 372 HD21 ASN 46 HD21 ASN 46 9.123 -21.529 1.110 373 HD22 ASN 46 HD22 ASN 46 10.770 -21.980 0.862 374 H LYS 47 H LYS 47 5.382 -23.577 -1.422 375 HA LYS 47 HA LYS 47 3.064 -23.815 -1.017 376 HB2 LYS 47 HB2 LYS 47 3.888 -26.721 -0.718 377 HB3 LYS 47 HB3 LYS 47 2.229 -26.165 -0.850 378 HG2 LYS 47 HG2 LYS 47 4.335 -25.778 -2.967 379 HG3 LYS 47 HG3 LYS 47 3.151 -27.081 -2.955 380 HD2 LYS 47 HD2 LYS 47 1.337 -25.400 -3.029 381 HD3 LYS 47 HD3 LYS 47 2.540 -24.113 -3.112 382 HE2 LYS 47 HE2 LYS 47 3.431 -25.157 -5.186 383 HE3 LYS 47 HE3 LYS 47 2.118 -26.329 -5.117 384 HZ1 LYS 47 HZ1 LYS 47 1.831 -23.391 -5.432 385 HZ2 LYS 47 HZ2 LYS 47 0.550 -24.485 -5.299 386 HZ3 LYS 47 HZ3 LYS 47 1.587 -24.558 -6.625 387 H SER 48 H SER 48 5.033 -23.458 1.165 388 HA SER 48 HA SER 48 4.258 -24.887 3.491 389 HB2 SER 48 HB2 SER 48 6.456 -23.948 3.405 390 HB3 SER 48 HB3 SER 48 5.815 -22.327 3.150 391 HG SER 48 HG SER 48 6.514 -22.957 5.359 392 H LYS 49 H LYS 49 2.571 -24.659 4.742 393 HA LYS 49 HA LYS 49 0.634 -22.664 4.420 394 HB2 LYS 49 HB2 LYS 49 -0.389 -23.531 6.496 395 HB3 LYS 49 HB3 LYS 49 0.026 -24.822 5.387 396 HG2 LYS 49 HG2 LYS 49 1.942 -24.088 7.548 397 HG3 LYS 49 HG3 LYS 49 0.510 -25.037 7.943 398 HD2 LYS 49 HD2 LYS 49 1.166 -26.753 6.357 399 HD3 LYS 49 HD3 LYS 49 2.537 -25.783 5.829 400 HE2 LYS 49 HE2 LYS 49 3.539 -25.927 8.018 401 HE3 LYS 49 HE3 LYS 49 2.153 -26.828 8.629 402 HZ1 LYS 49 HZ1 LYS 49 3.962 -28.313 8.112 403 HZ2 LYS 49 HZ2 LYS 49 4.053 -27.733 6.530 404 HZ3 LYS 49 HZ3 LYS 49 2.692 -28.598 7.036 405 H GLU 50 H GLU 50 3.329 -22.979 6.740 406 HA GLU 50 HA GLU 50 2.646 -20.729 8.258 407 HB2 GLU 50 HB2 GLU 50 5.219 -22.225 7.866 408 HB3 GLU 50 HB3 GLU 50 5.133 -20.794 8.883 409 HG2 GLU 50 HG2 GLU 50 3.468 -23.268 9.264 410 HG3 GLU 50 HG3 GLU 50 4.965 -22.918 10.127 411 H LEU 51 H LEU 51 4.889 -21.098 5.507 412 HA LEU 51 HA LEU 51 5.722 -18.426 5.484 413 HB2 LEU 51 HB2 LEU 51 6.814 -20.259 4.224 414 HB3 LEU 51 HB3 LEU 51 5.436 -20.315 3.144 415 HG LEU 51 HG LEU 51 5.950 -17.999 2.416 416 HD11 LEU 51 HD11 LEU 51 8.127 -17.034 2.970 417 HD12 LEU 51 HD12 LEU 51 8.418 -18.354 4.104 418 HD13 LEU 51 HD13 LEU 51 7.105 -17.212 4.397 419 HD21 LEU 51 HD21 LEU 51 7.926 -18.586 1.086 420 HD22 LEU 51 HD22 LEU 51 6.745 -19.894 1.120 421 HD23 LEU 51 HD23 LEU 51 8.195 -19.990 2.120 422 H GLN 52 H GLN 52 3.019 -20.058 3.902 423 HA GLN 52 HA GLN 52 2.026 -17.908 2.409 424 HB2 GLN 52 HB2 GLN 52 1.139 -20.116 2.055 425 HB3 GLN 52 HB3 GLN 52 0.603 -20.229 3.724 426 HG2 GLN 52 HG2 GLN 52 -1.059 -18.501 3.329 427 HG3 GLN 52 HG3 GLN 52 -0.500 -18.324 1.666 428 HE21 GLN 52 HE21 GLN 52 -1.039 -19.854 0.167 429 HE22 GLN 52 HE22 GLN 52 -2.217 -21.088 0.451 430 H GLU 53 H GLU 53 1.421 -18.865 5.767 431 HA GLU 53 HA GLU 53 -0.524 -16.990 6.366 432 HB2 GLU 53 HB2 GLU 53 -0.065 -18.955 7.715 433 HB3 GLU 53 HB3 GLU 53 1.528 -18.329 8.115 434 HG2 GLU 53 HG2 GLU 53 0.419 -16.387 9.164 435 HG3 GLU 53 HG3 GLU 53 -1.122 -17.203 8.904 436 H LYS 54 H LYS 54 3.027 -16.869 6.786 437 HA LYS 54 HA LYS 54 3.046 -14.332 8.050 438 HB2 LYS 54 HB2 LYS 54 5.279 -15.539 6.409 439 HB3 LYS 54 HB3 LYS 54 5.428 -14.342 7.690 440 HG2 LYS 54 HG2 LYS 54 4.561 -17.210 8.035 441 HG3 LYS 54 HG3 LYS 54 6.141 -16.547 8.442 442 HD2 LYS 54 HD2 LYS 54 5.166 -15.149 10.152 443 HD3 LYS 54 HD3 LYS 54 3.540 -15.634 9.668 444 HE2 LYS 54 HE2 LYS 54 5.652 -17.509 10.737 445 HE3 LYS 54 HE3 LYS 54 4.349 -16.811 11.697 446 HZ1 LYS 54 HZ1 LYS 54 2.734 -17.987 10.458 447 HZ2 LYS 54 HZ2 LYS 54 3.937 -19.121 10.826 448 HZ3 LYS 54 HZ3 LYS 54 3.856 -18.449 9.276 449 H ILE 55 H ILE 55 3.421 -15.356 4.739 450 HA ILE 55 HA ILE 55 3.993 -12.843 3.605 451 HB ILE 55 HB ILE 55 2.657 -15.243 2.337 452 HG12 ILE 55 HG12 ILE 55 5.465 -14.130 2.113 453 HG13 ILE 55 HG13 ILE 55 4.997 -15.537 3.062 454 HG21 ILE 55 HG21 ILE 55 1.974 -13.248 1.116 455 HG22 ILE 55 HG22 ILE 55 3.126 -14.182 0.163 456 HG23 ILE 55 HG23 ILE 55 3.653 -12.723 0.998 457 HD11 ILE 55 HD11 ILE 55 6.040 -16.164 0.954 458 HD12 ILE 55 HD12 ILE 55 4.791 -15.287 0.068 459 HD13 ILE 55 HD13 ILE 55 4.364 -16.706 1.027 460 H ILE 56 H ILE 56 0.824 -14.487 3.923 461 HA ILE 56 HA ILE 56 -0.600 -12.277 2.852 462 HB ILE 56 HB ILE 56 -1.525 -14.596 2.862 463 HG12 ILE 56 HG12 ILE 56 -3.287 -12.561 4.246 464 HG13 ILE 56 HG13 ILE 56 -2.979 -12.623 2.515 465 HG21 ILE 56 HG21 ILE 56 -2.615 -15.463 4.876 466 HG22 ILE 56 HG22 ILE 56 -1.987 -14.096 5.797 467 HG23 ILE 56 HG23 ILE 56 -0.875 -15.275 5.102 468 HD11 ILE 56 HD11 ILE 56 -4.057 -14.808 2.401 469 HD12 ILE 56 HD12 ILE 56 -5.138 -13.590 3.074 470 HD13 ILE 56 HD13 ILE 56 -4.353 -14.755 4.137 471 H ARG 57 H ARG 57 0.432 -13.099 6.095 472 HA ARG 57 HA ARG 57 -1.263 -11.299 7.492 473 HB2 ARG 57 HB2 ARG 57 1.028 -13.004 8.117 474 HB3 ARG 57 HB3 ARG 57 1.014 -11.512 9.041 475 HG2 ARG 57 HG2 ARG 57 -0.084 -13.399 10.194 476 HG3 ARG 57 HG3 ARG 57 -1.155 -12.022 9.936 477 HD2 ARG 57 HD2 ARG 57 -2.248 -13.120 8.125 478 HD3 ARG 57 HD3 ARG 57 -1.046 -14.409 8.107 479 HE ARG 57 HE ARG 57 -1.931 -15.062 10.325 480 HH11 ARG 57 HH11 ARG 57 -3.983 -13.119 8.237 481 HH12 ARG 57 HH12 ARG 57 -5.448 -13.763 8.892 482 HH21 ARG 57 HH21 ARG 57 -3.874 -15.903 11.170 483 HH22 ARG 57 HH22 ARG 57 -5.390 -15.336 10.550 484 H GLU 58 H GLU 58 2.162 -11.011 6.457 485 HA GLU 58 HA GLU 58 2.384 -8.338 7.318 486 HB2 GLU 58 HB2 GLU 58 4.325 -9.813 6.931 487 HB3 GLU 58 HB3 GLU 58 3.985 -9.792 5.208 488 HG2 GLU 58 HG2 GLU 58 4.449 -7.446 5.093 489 HG3 GLU 58 HG3 GLU 58 4.645 -7.362 6.842 490 H LEU 59 H LEU 59 1.322 -9.827 4.340 491 HA LEU 59 HA LEU 59 1.364 -7.541 2.683 492 HB2 LEU 59 HB2 LEU 59 1.116 -9.964 1.991 493 HB3 LEU 59 HB3 LEU 59 -0.542 -9.876 2.543 494 HG LEU 59 HG LEU 59 -1.018 -8.164 0.840 495 HD11 LEU 59 HD11 LEU 59 0.646 -7.743 -0.913 496 HD12 LEU 59 HD12 LEU 59 1.841 -8.639 0.027 497 HD13 LEU 59 HD13 LEU 59 1.162 -7.141 0.661 498 HD21 LEU 59 HD21 LEU 59 -0.860 -9.633 -1.101 499 HD22 LEU 59 HD22 LEU 59 -1.384 -10.513 0.333 500 HD23 LEU 59 HD23 LEU 59 0.279 -10.661 -0.233 501 H ASP 60 H ASP 60 -1.080 -9.017 4.742 502 HA ASP 60 HA ASP 60 -3.219 -7.298 4.254 503 HB2 ASP 60 HB2 ASP 60 -3.623 -9.341 5.402 504 HB3 ASP 60 HB3 ASP 60 -2.457 -8.949 6.659 505 H VAL 61 H VAL 61 -0.676 -7.110 6.718 506 HA VAL 61 HA VAL 61 -1.647 -4.813 8.029 507 HB VAL 61 HB VAL 61 1.226 -5.745 7.798 508 HG11 VAL 61 HG11 VAL 61 -0.059 -3.894 9.806 509 HG12 VAL 61 HG12 VAL 61 1.074 -3.422 8.542 510 HG13 VAL 61 HG13 VAL 61 1.606 -4.469 9.855 511 HG21 VAL 61 HG21 VAL 61 0.841 -6.821 9.963 512 HG22 VAL 61 HG22 VAL 61 -0.246 -7.461 8.729 513 HG23 VAL 61 HG23 VAL 61 -0.845 -6.309 9.920 514 H VAL 62 H VAL 62 0.772 -5.145 5.447 515 HA VAL 62 HA VAL 62 1.304 -2.382 5.175 516 HB VAL 62 HB VAL 62 1.612 -4.587 3.118 517 HG11 VAL 62 HG11 VAL 62 1.567 -2.389 2.055 518 HG12 VAL 62 HG12 VAL 62 3.190 -3.078 2.002 519 HG13 VAL 62 HG13 VAL 62 2.808 -1.817 3.170 520 HG21 VAL 62 HG21 VAL 62 3.598 -3.376 5.043 521 HG22 VAL 62 HG22 VAL 62 3.978 -4.558 3.792 522 HG23 VAL 62 HG23 VAL 62 2.915 -5.001 5.128 523 H CYS 63 H CYS 63 -1.001 -4.522 3.590 524 HA CYS 63 HA CYS 63 -1.953 -2.644 1.699 525 HB2 CYS 63 HB2 CYS 63 -2.415 -5.059 1.501 526 HB3 CYS 63 HB3 CYS 63 -3.427 -4.984 2.938 527 HG CYS 63 HG CYS 63 -4.941 -2.846 1.363 528 H ALA 64 H ALA 64 -2.951 -3.434 5.011 529 HA ALA 64 HA ALA 64 -5.242 -1.845 5.116 530 HB1 ALA 64 HB1 ALA 64 -4.750 -3.609 6.718 531 HB2 ALA 64 HB2 ALA 64 -5.004 -2.069 7.544 532 HB3 ALA 64 HB3 ALA 64 -3.367 -2.690 7.311 533 H MET 65 H MET 65 -1.902 -1.142 6.205 534 HA MET 65 HA MET 65 -2.525 1.451 7.129 535 HB2 MET 65 HB2 MET 65 -0.181 1.833 7.344 536 HB3 MET 65 HB3 MET 65 -0.453 0.137 7.720 537 HG2 MET 65 HG2 MET 65 0.322 -0.493 5.511 538 HG3 MET 65 HG3 MET 65 0.540 1.203 5.091 539 HE1 MET 65 HE1 MET 65 1.811 -1.833 7.090 540 HE2 MET 65 HE2 MET 65 1.375 -0.756 8.417 541 HE3 MET 65 HE3 MET 65 3.071 -1.154 8.122 542 H ILE 66 H ILE 66 -1.501 0.250 3.991 543 HA ILE 66 HA ILE 66 -1.093 2.785 2.817 544 HB ILE 66 HB ILE 66 -1.215 0.004 1.835 545 HG12 ILE 66 HG12 ILE 66 0.725 0.747 0.514 546 HG13 ILE 66 HG13 ILE 66 0.431 2.405 1.020 547 HG21 ILE 66 HG21 ILE 66 -2.945 0.961 0.416 548 HG22 ILE 66 HG22 ILE 66 -1.494 0.577 -0.510 549 HG23 ILE 66 HG23 ILE 66 -1.842 2.251 -0.072 550 HD11 ILE 66 HD11 ILE 66 2.269 1.316 2.242 551 HD12 ILE 66 HD12 ILE 66 1.120 0.139 2.883 552 HD13 ILE 66 HD13 ILE 66 0.963 1.845 3.297 553 H GLU 67 H GLU 67 -3.960 0.649 2.909 554 HA GLU 67 HA GLU 67 -5.535 2.298 1.227 555 HB2 GLU 67 HB2 GLU 67 -6.242 0.141 3.210 556 HB3 GLU 67 HB3 GLU 67 -7.462 1.003 2.284 557 HG2 GLU 67 HG2 GLU 67 -5.181 -0.454 0.985 558 HG3 GLU 67 HG3 GLU 67 -6.707 -1.237 1.384 559 H GLY 68 H GLY 68 -5.065 2.121 4.706 560 HA2 GLY 68 HA2 GLY 68 -7.158 3.873 5.446 561 HA3 GLY 68 HA3 GLY 68 -5.740 3.503 6.415 562 H ALA 69 H ALA 69 -3.774 4.401 4.730 563 HA ALA 69 HA ALA 69 -3.844 7.210 5.261 564 HB1 ALA 69 HB1 ALA 69 -1.752 5.926 5.374 565 HB2 ALA 69 HB2 ALA 69 -1.624 7.277 4.245 566 HB3 ALA 69 HB3 ALA 69 -1.845 5.637 3.636 567 H GLN 70 H GLN 70 -4.247 5.199 2.415 568 HA GLN 70 HA GLN 70 -4.150 7.239 0.451 569 HB2 GLN 70 HB2 GLN 70 -3.995 4.696 0.159 570 HB3 GLN 70 HB3 GLN 70 -5.749 4.707 0.233 571 HG2 GLN 70 HG2 GLN 70 -4.444 6.520 -1.710 572 HG3 GLN 70 HG3 GLN 70 -4.406 4.790 -2.040 573 HE21 GLN 70 HE21 GLN 70 -6.359 3.697 -2.231 574 HE22 GLN 70 HE22 GLN 70 -7.809 4.511 -2.706 575 H GLY 71 H GLY 71 -6.784 5.724 2.209 576 HA2 GLY 71 HA2 GLY 71 -8.893 7.160 0.916 577 HA3 GLY 71 HA3 GLY 71 -9.038 6.275 2.427 578 H ALA 72 H ALA 72 -7.123 7.657 3.861 579 HA ALA 72 HA ALA 72 -8.700 9.814 4.882 580 HB1 ALA 72 HB1 ALA 72 -6.855 10.209 6.437 581 HB2 ALA 72 HB2 ALA 72 -5.827 9.121 5.505 582 HB3 ALA 72 HB3 ALA 72 -7.244 8.490 6.345 583 H LEU 73 H LEU 73 -5.534 9.701 3.276 584 HA LEU 73 HA LEU 73 -5.102 12.425 3.070 585 HB2 LEU 73 HB2 LEU 73 -3.467 10.573 2.612 586 HB3 LEU 73 HB3 LEU 73 -4.255 10.335 1.068 587 HG LEU 73 HG LEU 73 -3.637 12.661 0.447 588 HD11 LEU 73 HD11 LEU 73 -1.897 13.787 1.771 589 HD12 LEU 73 HD12 LEU 73 -2.092 12.566 3.029 590 HD13 LEU 73 HD13 LEU 73 -3.427 13.649 2.633 591 HD21 LEU 73 HD21 LEU 73 -2.275 10.787 -0.291 592 HD22 LEU 73 HD22 LEU 73 -1.361 10.833 1.216 593 HD23 LEU 73 HD23 LEU 73 -1.255 12.175 0.079 594 H GLU 74 H GLU 74 -6.807 10.214 0.880 595 HA GLU 74 HA GLU 74 -7.301 11.899 -1.253 596 HB2 GLU 74 HB2 GLU 74 -8.437 9.441 -0.183 597 HB3 GLU 74 HB3 GLU 74 -9.633 10.419 -1.019 598 HG2 GLU 74 HG2 GLU 74 -6.989 9.711 -2.250 599 HG3 GLU 74 HG3 GLU 74 -8.405 8.673 -2.384 600 H ARG 75 H ARG 75 -9.375 11.428 1.616 601 HA ARG 75 HA ARG 75 -11.363 13.261 0.865 602 HB2 ARG 75 HB2 ARG 75 -11.600 11.604 2.711 603 HB3 ARG 75 HB3 ARG 75 -10.492 12.554 3.682 604 HG2 ARG 75 HG2 ARG 75 -13.016 13.790 2.633 605 HG3 ARG 75 HG3 ARG 75 -13.049 12.769 4.068 606 HD2 ARG 75 HD2 ARG 75 -11.416 14.229 5.151 607 HD3 ARG 75 HD3 ARG 75 -11.329 15.223 3.704 608 HE ARG 75 HE ARG 75 -13.985 15.202 4.452 609 HH11 ARG 75 HH11 ARG 75 -10.943 16.155 5.939 610 HH12 ARG 75 HH12 ARG 75 -11.651 17.459 6.834 611 HH21 ARG 75 HH21 ARG 75 -14.917 16.944 5.670 612 HH22 ARG 75 HH22 ARG 75 -13.900 17.899 6.695 613 H GLU 76 H GLU 76 -8.381 13.751 2.650 614 HA GLU 76 HA GLU 76 -8.903 16.496 3.237 615 HB2 GLU 76 HB2 GLU 76 -6.288 14.984 3.273 616 HB3 GLU 76 HB3 GLU 76 -6.522 16.604 3.910 617 HG2 GLU 76 HG2 GLU 76 -7.769 14.057 4.914 618 HG3 GLU 76 HG3 GLU 76 -6.548 15.042 5.720 619 H LEU 77 H LEU 77 -6.570 14.985 0.910 620 HA LEU 77 HA LEU 77 -5.774 17.371 -0.185 621 HB2 LEU 77 HB2 LEU 77 -4.893 16.057 -2.088 622 HB3 LEU 77 HB3 LEU 77 -4.435 15.437 -0.527 623 HG LEU 77 HG LEU 77 -6.160 13.629 -0.806 624 HD11 LEU 77 HD11 LEU 77 -7.039 13.176 -3.021 625 HD12 LEU 77 HD12 LEU 77 -6.293 14.648 -3.638 626 HD13 LEU 77 HD13 LEU 77 -7.593 14.750 -2.450 627 HD21 LEU 77 HD21 LEU 77 -4.096 13.745 -2.995 628 HD22 LEU 77 HD22 LEU 77 -4.796 12.298 -2.268 629 HD23 LEU 77 HD23 LEU 77 -3.748 13.348 -1.316 630 H LYS 78 H LYS 78 -8.806 15.780 -0.709 631 HA LYS 78 HA LYS 78 -9.252 16.673 -3.347 632 HB2 LYS 78 HB2 LYS 78 -10.875 15.609 -1.089 633 HB3 LYS 78 HB3 LYS 78 -11.714 16.308 -2.487 634 HG2 LYS 78 HG2 LYS 78 -9.734 14.028 -2.558 635 HG3 LYS 78 HG3 LYS 78 -11.489 13.851 -2.605 636 HD2 LYS 78 HD2 LYS 78 -11.593 14.979 -4.725 637 HD3 LYS 78 HD3 LYS 78 -9.877 15.382 -4.645 638 HE2 LYS 78 HE2 LYS 78 -9.273 13.057 -4.790 639 HE3 LYS 78 HE3 LYS 78 -10.967 12.570 -4.723 640 HZ1 LYS 78 HZ1 LYS 78 -11.328 13.680 -6.825 641 HZ2 LYS 78 HZ2 LYS 78 -10.110 12.525 -6.981 642 HZ3 LYS 78 HZ3 LYS 78 -9.715 14.168 -6.889 643 H ARG 79 H ARG 79 -9.351 18.088 -0.242 644 HA ARG 79 HA ARG 79 -11.040 20.314 -1.053 645 HB2 ARG 79 HB2 ARG 79 -11.247 19.168 1.189 646 HB3 ARG 79 HB3 ARG 79 -9.685 19.854 1.604 647 HG2 ARG 79 HG2 ARG 79 -10.648 22.116 1.216 648 HG3 ARG 79 HG3 ARG 79 -12.223 21.353 0.999 649 HD2 ARG 79 HD2 ARG 79 -12.098 22.103 3.257 650 HD3 ARG 79 HD3 ARG 79 -11.944 20.348 3.281 651 HE ARG 79 HE ARG 79 -9.385 21.116 3.246 652 HH11 ARG 79 HH11 ARG 79 -12.084 22.159 5.224 653 HH12 ARG 79 HH12 ARG 79 -11.096 22.638 6.560 654 HH21 ARG 79 HH21 ARG 79 -8.062 21.729 5.027 655 HH22 ARG 79 HH22 ARG 79 -8.794 22.391 6.444 656 H THR 80 H THR 80 -7.750 19.532 -1.135 657 HA THR 80 HA THR 80 -7.053 22.386 -1.086 658 HB THR 80 HB THR 80 -5.131 20.290 -0.112 659 HG1 THR 80 HG1 THR 80 -6.891 20.096 1.257 660 HG21 THR 80 HG21 THR 80 -4.261 22.523 -0.669 661 HG22 THR 80 HG22 THR 80 -4.152 22.208 1.063 662 HG23 THR 80 HG23 THR 80 -5.428 23.252 0.434 663 H ASP 81 H ASP 81 -7.306 22.158 -3.538 664 HA ASP 81 HA ASP 81 -4.743 21.627 -4.670 665 HB2 ASP 81 HB2 ASP 81 -5.437 20.040 -6.324 666 HB3 ASP 81 HB3 ASP 81 -6.021 19.397 -4.796 667 H LEU 82 H LEU 82 -4.439 23.105 -6.382 668 HA LEU 82 HA LEU 82 -6.738 24.188 -7.705 669 HB2 LEU 82 HB2 LEU 82 -6.716 25.463 -5.608 670 HB3 LEU 82 HB3 LEU 82 -5.065 25.948 -5.943 671 HG LEU 82 HG LEU 82 -5.863 27.131 -7.973 672 HD11 LEU 82 HD11 LEU 82 -8.257 27.591 -8.187 673 HD12 LEU 82 HD12 LEU 82 -8.586 26.461 -6.875 674 HD13 LEU 82 HD13 LEU 82 -7.894 25.878 -8.389 675 HD21 LEU 82 HD21 LEU 82 -6.873 29.009 -6.759 676 HD22 LEU 82 HD22 LEU 82 -5.484 28.339 -5.903 677 HD23 LEU 82 HD23 LEU 82 -7.120 27.961 -5.363 678 H ASN 83 H ASN 83 -5.951 23.884 -9.669 679 HA ASN 83 HA ASN 83 -5.157 25.381 -11.379 680 HB2 ASN 83 HB2 ASN 83 -3.342 26.271 -9.622 681 HB3 ASN 83 HB3 ASN 83 -2.322 25.186 -10.570 682 HD21 ASN 83 HD21 ASN 83 -1.897 25.671 -12.702 683 HD22 ASN 83 HD22 ASN 83 -2.338 27.182 -13.413 684 H ILE 84 H ILE 84 -3.535 24.844 -13.094 685 HA ILE 84 HA ILE 84 -4.218 22.400 -14.110 686 HB ILE 84 HB ILE 84 -1.759 23.967 -14.883 687 HG12 ILE 84 HG12 ILE 84 -4.610 24.200 -15.876 688 HG13 ILE 84 HG13 ILE 84 -3.798 25.365 -14.840 689 HG21 ILE 84 HG21 ILE 84 -3.461 21.998 -16.409 690 HG22 ILE 84 HG22 ILE 84 -1.807 21.742 -15.848 691 HG23 ILE 84 HG23 ILE 84 -2.143 22.950 -17.088 692 HD11 ILE 84 HD11 ILE 84 -3.011 24.653 -17.655 693 HD12 ILE 84 HD12 ILE 84 -2.198 25.830 -16.624 694 HD13 ILE 84 HD13 ILE 84 -3.858 26.113 -17.148 695 H LEU 85 H LEU 85 -1.127 23.156 -12.375 696 HA LEU 85 HA LEU 85 0.000 20.613 -12.986 697 HB2 LEU 85 HB2 LEU 85 1.415 22.533 -12.541 698 HB3 LEU 85 HB3 LEU 85 0.727 22.709 -10.940 699 HG LEU 85 HG LEU 85 1.688 20.469 -10.359 700 HD11 LEU 85 HD11 LEU 85 3.117 20.804 -12.989 701 HD12 LEU 85 HD12 LEU 85 1.921 19.568 -12.601 702 HD13 LEU 85 HD13 LEU 85 3.476 19.583 -11.768 703 HD21 LEU 85 HD21 LEU 85 2.776 22.543 -9.684 704 HD22 LEU 85 HD22 LEU 85 3.641 22.599 -11.219 705 HD23 LEU 85 HD23 LEU 85 3.968 21.303 -10.071 706 H GLU 86 H GLU 86 -1.573 22.056 -10.156 707 HA GLU 86 HA GLU 86 -1.249 19.892 -8.424 708 HB2 GLU 86 HB2 GLU 86 -3.444 21.960 -8.548 709 HB3 GLU 86 HB3 GLU 86 -3.240 20.822 -7.224 710 HG2 GLU 86 HG2 GLU 86 -1.224 22.880 -8.086 711 HG3 GLU 86 HG3 GLU 86 -2.307 23.018 -6.704 712 H ARG 87 H ARG 87 -3.933 20.656 -10.670 713 HA ARG 87 HA ARG 87 -5.556 18.504 -10.114 714 HB2 ARG 87 HB2 ARG 87 -5.716 20.614 -11.728 715 HB3 ARG 87 HB3 ARG 87 -5.219 19.430 -12.924 716 HG2 ARG 87 HG2 ARG 87 -7.599 19.611 -12.929 717 HG3 ARG 87 HG3 ARG 87 -7.151 18.033 -12.278 718 HD2 ARG 87 HD2 ARG 87 -7.684 18.655 -10.092 719 HD3 ARG 87 HD3 ARG 87 -7.649 20.375 -10.477 720 HE ARG 87 HE ARG 87 -9.656 19.091 -11.975 721 HH11 ARG 87 HH11 ARG 87 -8.936 20.049 -8.657 722 HH12 ARG 87 HH12 ARG 87 -10.600 20.327 -8.259 723 HH21 ARG 87 HH21 ARG 87 -11.866 19.486 -11.420 724 HH22 ARG 87 HH22 ARG 87 -12.253 20.007 -9.814 725 H PHE 88 H PHE 88 -2.834 18.800 -12.335 726 HA PHE 88 HA PHE 88 -3.065 16.241 -13.509 727 HB2 PHE 88 HB2 PHE 88 -1.872 18.085 -14.590 728 HB3 PHE 88 HB3 PHE 88 -0.681 18.093 -13.294 729 HD1 PHE 88 HD1 PHE 88 -2.076 15.986 -16.010 730 HD2 PHE 88 HD2 PHE 88 1.212 16.773 -13.433 731 HE1 PHE 88 HE1 PHE 88 -0.711 14.369 -17.269 732 HE2 PHE 88 HE2 PHE 88 2.581 15.155 -14.681 733 HZ PHE 88 HZ PHE 88 1.623 13.953 -16.602 734 H ASN 89 H ASN 89 -1.085 17.504 -10.860 735 HA ASN 89 HA ASN 89 0.416 15.210 -10.276 736 HB2 ASN 89 HB2 ASN 89 -0.587 17.442 -8.495 737 HB3 ASN 89 HB3 ASN 89 0.439 16.147 -7.892 738 HD21 ASN 89 HD21 ASN 89 0.871 19.071 -8.130 739 HD22 ASN 89 HD22 ASN 89 2.330 19.227 -9.040 740 H TYR 90 H TYR 90 -2.596 16.335 -8.853 741 HA TYR 90 HA TYR 90 -3.158 14.188 -7.201 742 HB2 TYR 90 HB2 TYR 90 -4.829 16.262 -8.551 743 HB3 TYR 90 HB3 TYR 90 -5.624 14.939 -7.701 744 HD1 TYR 90 HD1 TYR 90 -2.607 17.032 -6.974 745 HD2 TYR 90 HD2 TYR 90 -6.387 15.620 -5.653 746 HE1 TYR 90 HE1 TYR 90 -2.269 18.160 -4.828 747 HE2 TYR 90 HE2 TYR 90 -6.059 16.749 -3.513 748 HH TYR 90 HH TYR 90 -3.988 19.091 -2.939 749 H GLU 91 H GLU 91 -4.336 14.714 -10.526 750 HA GLU 91 HA GLU 91 -5.800 12.409 -10.865 751 HB2 GLU 91 HB2 GLU 91 -5.310 14.538 -12.354 752 HB3 GLU 91 HB3 GLU 91 -4.107 13.490 -13.081 753 HG2 GLU 91 HG2 GLU 91 -7.051 12.895 -12.902 754 HG3 GLU 91 HG3 GLU 91 -6.228 13.545 -14.314 755 H GLU 92 H GLU 92 -2.362 12.958 -11.597 756 HA GLU 92 HA GLU 92 -1.931 10.337 -12.551 757 HB2 GLU 92 HB2 GLU 92 -0.472 12.138 -13.235 758 HB3 GLU 92 HB3 GLU 92 0.083 12.359 -11.581 759 HG2 GLU 92 HG2 GLU 92 1.318 10.406 -11.596 760 HG3 GLU 92 HG3 GLU 92 0.408 9.724 -12.941 761 H ALA 93 H ALA 93 -1.160 11.751 -9.282 762 HA ALA 93 HA ALA 93 0.076 9.494 -8.289 763 HB1 ALA 93 HB1 ALA 93 -0.403 10.437 -6.099 764 HB2 ALA 93 HB2 ALA 93 -1.596 11.523 -6.812 765 HB3 ALA 93 HB3 ALA 93 0.111 11.702 -7.217 766 H GLN 94 H GLN 94 -3.346 10.401 -8.312 767 HA GLN 94 HA GLN 94 -4.277 8.216 -6.798 768 HB2 GLN 94 HB2 GLN 94 -5.671 9.915 -8.877 769 HB3 GLN 94 HB3 GLN 94 -6.493 8.743 -7.856 770 HG2 GLN 94 HG2 GLN 94 -6.018 9.978 -5.892 771 HG3 GLN 94 HG3 GLN 94 -4.877 11.017 -6.741 772 HE21 GLN 94 HE21 GLN 94 -5.936 12.869 -6.125 773 HE22 GLN 94 HE22 GLN 94 -7.447 13.352 -6.806 774 H THR 95 H THR 95 -3.705 8.658 -10.212 775 HA THR 95 HA THR 95 -4.758 6.248 -11.158 776 HB THR 95 HB THR 95 -2.316 7.670 -12.235 777 HG1 THR 95 HG1 THR 95 -4.074 9.089 -12.228 778 HG21 THR 95 HG21 THR 95 -2.877 6.570 -14.348 779 HG22 THR 95 HG22 THR 95 -4.258 5.780 -13.583 780 HG23 THR 95 HG23 THR 95 -2.623 5.362 -13.084 781 H LEU 96 H LEU 96 -1.413 6.970 -10.041 782 HA LEU 96 HA LEU 96 -0.459 4.369 -10.578 783 HB2 LEU 96 HB2 LEU 96 0.650 6.489 -8.743 784 HB3 LEU 96 HB3 LEU 96 1.504 5.052 -9.266 785 HG LEU 96 HG LEU 96 0.586 7.285 -11.083 786 HD11 LEU 96 HD11 LEU 96 3.331 6.582 -10.056 787 HD12 LEU 96 HD12 LEU 96 2.383 8.007 -9.625 788 HD13 LEU 96 HD13 LEU 96 2.973 7.806 -11.275 789 HD21 LEU 96 HD21 LEU 96 1.953 6.160 -12.776 790 HD22 LEU 96 HD22 LEU 96 0.640 5.125 -12.218 791 HD23 LEU 96 HD23 LEU 96 2.284 4.851 -11.641 792 H SER 97 H SER 97 -1.722 5.949 -7.681 793 HA SER 97 HA SER 97 -1.018 3.942 -5.871 794 HB2 SER 97 HB2 SER 97 -2.981 4.911 -4.501 795 HB3 SER 97 HB3 SER 97 -1.624 5.970 -4.884 796 HG SER 97 HG SER 97 -2.824 7.029 -6.322 797 H LYS 98 H LYS 98 -4.040 4.380 -7.740 798 HA LYS 98 HA LYS 98 -5.420 2.201 -6.699 799 HB2 LYS 98 HB2 LYS 98 -5.538 3.510 -9.416 800 HB3 LYS 98 HB3 LYS 98 -6.695 2.317 -8.851 801 HG2 LYS 98 HG2 LYS 98 -7.428 3.786 -7.094 802 HG3 LYS 98 HG3 LYS 98 -6.171 4.955 -7.506 803 HD2 LYS 98 HD2 LYS 98 -7.184 5.302 -9.693 804 HD3 LYS 98 HD3 LYS 98 -8.419 4.096 -9.327 805 HE2 LYS 98 HE2 LYS 98 -7.982 6.649 -7.784 806 HE3 LYS 98 HE3 LYS 98 -9.207 6.427 -9.032 807 HZ1 LYS 98 HZ1 LYS 98 -10.162 4.638 -7.677 808 HZ2 LYS 98 HZ2 LYS 98 -10.171 6.120 -6.871 809 HZ3 LYS 98 HZ3 LYS 98 -9.031 4.948 -6.458 810 H ILE 99 H ILE 99 -3.170 2.442 -9.449 811 HA ILE 99 HA ILE 99 -3.496 -0.184 -10.360 812 HB ILE 99 HB ILE 99 -1.070 1.614 -10.538 813 HG12 ILE 99 HG12 ILE 99 -3.252 1.002 -12.548 814 HG13 ILE 99 HG13 ILE 99 -3.116 2.489 -11.616 815 HG21 ILE 99 HG21 ILE 99 -0.490 -0.766 -10.810 816 HG22 ILE 99 HG22 ILE 99 -0.279 0.144 -12.308 817 HG23 ILE 99 HG23 ILE 99 -1.687 -0.896 -12.099 818 HD11 ILE 99 HD11 ILE 99 -2.311 2.787 -13.886 819 HD12 ILE 99 HD12 ILE 99 -1.135 1.494 -13.654 820 HD13 ILE 99 HD13 ILE 99 -1.000 2.989 -12.726 821 H LEU 100 H LEU 100 -1.280 1.265 -8.045 822 HA LEU 100 HA LEU 100 0.334 -0.908 -7.463 823 HB2 LEU 100 HB2 LEU 100 0.698 1.474 -6.796 824 HB3 LEU 100 HB3 LEU 100 -0.543 1.293 -5.582 825 HG LEU 100 HG LEU 100 1.910 1.209 -4.841 826 HD11 LEU 100 HD11 LEU 100 1.454 -0.503 -3.131 827 HD12 LEU 100 HD12 LEU 100 -0.001 -0.965 -4.018 828 HD13 LEU 100 HD13 LEU 100 0.139 0.653 -3.331 829 HD21 LEU 100 HD21 LEU 100 1.664 -1.580 -5.964 830 HD22 LEU 100 HD22 LEU 100 2.980 -0.993 -4.946 831 HD23 LEU 100 HD23 LEU 100 2.735 -0.309 -6.552 832 H LEU 101 H LEU 101 -2.650 0.138 -5.797 833 HA LEU 101 HA LEU 101 -2.677 -1.928 -3.893 834 HB2 LEU 101 HB2 LEU 101 -4.718 -0.048 -4.950 835 HB3 LEU 101 HB3 LEU 101 -5.289 -1.440 -4.057 836 HG LEU 101 HG LEU 101 -5.136 0.443 -2.579 837 HD11 LEU 101 HD11 LEU 101 -4.559 -1.782 -1.706 838 HD12 LEU 101 HD12 LEU 101 -3.761 -0.473 -0.841 839 HD13 LEU 101 HD13 LEU 101 -2.854 -1.436 -2.002 840 HD21 LEU 101 HD21 LEU 101 -2.228 0.609 -3.363 841 HD22 LEU 101 HD22 LEU 101 -3.014 1.562 -2.104 842 HD23 LEU 101 HD23 LEU 101 -3.490 1.766 -3.791 843 H LYS 102 H LYS 102 -4.026 -1.808 -7.144 844 HA LYS 102 HA LYS 102 -5.437 -4.246 -6.959 845 HB2 LYS 102 HB2 LYS 102 -4.324 -2.811 -9.367 846 HB3 LYS 102 HB3 LYS 102 -5.377 -4.216 -9.455 847 HG2 LYS 102 HG2 LYS 102 -7.107 -2.941 -8.221 848 HG3 LYS 102 HG3 LYS 102 -6.056 -1.523 -8.293 849 HD2 LYS 102 HD2 LYS 102 -7.123 -3.032 -10.678 850 HD3 LYS 102 HD3 LYS 102 -7.778 -1.520 -10.054 851 HE2 LYS 102 HE2 LYS 102 -5.646 -0.412 -10.502 852 HE3 LYS 102 HE3 LYS 102 -4.984 -1.927 -11.120 853 HZ1 LYS 102 HZ1 LYS 102 -7.285 -0.449 -12.263 854 HZ2 LYS 102 HZ2 LYS 102 -6.652 -1.895 -12.865 855 HZ3 LYS 102 HZ3 LYS 102 -5.724 -0.484 -12.906 856 H ASP 103 H ASP 103 -2.032 -3.515 -7.716 857 HA ASP 103 HA ASP 103 -1.463 -6.135 -8.662 858 HB2 ASP 103 HB2 ASP 103 -0.112 -3.963 -9.031 859 HB3 ASP 103 HB3 ASP 103 0.539 -4.255 -7.423 860 H LEU 104 H LEU 104 -1.363 -4.514 -5.463 861 HA LEU 104 HA LEU 104 -0.015 -6.566 -4.104 862 HB2 LEU 104 HB2 LEU 104 -1.766 -4.271 -3.326 863 HB3 LEU 104 HB3 LEU 104 -1.444 -5.509 -2.132 864 HG LEU 104 HG LEU 104 0.032 -3.535 -1.924 865 HD11 LEU 104 HD11 LEU 104 1.400 -6.115 -2.637 866 HD12 LEU 104 HD12 LEU 104 0.800 -5.630 -1.051 867 HD13 LEU 104 HD13 LEU 104 2.152 -4.768 -1.785 868 HD21 LEU 104 HD21 LEU 104 1.151 -4.441 -4.566 869 HD22 LEU 104 HD22 LEU 104 1.791 -3.150 -3.546 870 HD23 LEU 104 HD23 LEU 104 0.203 -2.981 -4.297 871 H LYS 105 H LYS 105 -3.466 -5.834 -4.501 872 HA LYS 105 HA LYS 105 -4.407 -8.016 -3.038 873 HB2 LYS 105 HB2 LYS 105 -5.638 -6.221 -5.075 874 HB3 LYS 105 HB3 LYS 105 -6.514 -7.660 -4.563 875 HG2 LYS 105 HG2 LYS 105 -5.466 -5.550 -2.683 876 HG3 LYS 105 HG3 LYS 105 -7.120 -5.616 -3.298 877 HD2 LYS 105 HD2 LYS 105 -7.485 -7.751 -2.252 878 HD3 LYS 105 HD3 LYS 105 -5.796 -7.857 -1.769 879 HE2 LYS 105 HE2 LYS 105 -6.084 -5.939 -0.297 880 HE3 LYS 105 HE3 LYS 105 -7.768 -5.792 -0.802 881 HZ1 LYS 105 HZ1 LYS 105 -6.640 -8.214 0.501 882 HZ2 LYS 105 HZ2 LYS 105 -8.267 -7.885 0.178 883 HZ3 LYS 105 HZ3 LYS 105 -7.440 -6.978 1.341 884 H GLU 106 H GLU 106 -3.499 -7.829 -6.447 885 HA GLU 106 HA GLU 106 -4.547 -10.374 -7.120 886 HB2 GLU 106 HB2 GLU 106 -3.828 -8.658 -8.794 887 HB3 GLU 106 HB3 GLU 106 -2.158 -9.001 -8.365 888 HG2 GLU 106 HG2 GLU 106 -2.409 -11.307 -9.141 889 HG3 GLU 106 HG3 GLU 106 -4.102 -11.002 -9.509 890 H THR 107 H THR 107 -1.523 -9.257 -5.767 891 HA THR 107 HA THR 107 -0.068 -11.665 -5.883 892 HB THR 107 HB THR 107 0.125 -9.485 -3.777 893 HG1 THR 107 HG1 THR 107 0.441 -8.483 -5.741 894 HG21 THR 107 HG21 THR 107 1.349 -11.546 -3.217 895 HG22 THR 107 HG22 THR 107 2.454 -10.217 -3.567 896 HG23 THR 107 HG23 THR 107 2.180 -11.475 -4.773 897 H GLU 108 H GLU 108 -2.003 -10.210 -3.279 898 HA GLU 108 HA GLU 108 -2.031 -12.211 -1.392 899 HB2 GLU 108 HB2 GLU 108 -3.135 -10.025 -1.119 900 HB3 GLU 108 HB3 GLU 108 -4.364 -10.498 -2.284 901 HG2 GLU 108 HG2 GLU 108 -4.734 -12.481 -0.615 902 HG3 GLU 108 HG3 GLU 108 -3.982 -11.372 0.530 903 H GLN 109 H GLN 109 -4.172 -11.906 -4.213 904 HA GLN 109 HA GLN 109 -5.682 -14.195 -3.728 905 HB2 GLN 109 HB2 GLN 109 -6.349 -12.486 -5.339 906 HB3 GLN 109 HB3 GLN 109 -5.003 -12.929 -6.380 907 HG2 GLN 109 HG2 GLN 109 -5.981 -15.164 -6.665 908 HG3 GLN 109 HG3 GLN 109 -7.344 -14.680 -5.656 909 HE21 GLN 109 HE21 GLN 109 -8.815 -15.027 -7.297 910 HE22 GLN 109 HE22 GLN 109 -8.952 -13.972 -8.660 911 H LYS 110 H LYS 110 -2.661 -13.798 -5.487 912 HA LYS 110 HA LYS 110 -2.563 -16.429 -6.522 913 HB2 LYS 110 HB2 LYS 110 -0.160 -14.748 -5.828 914 HB3 LYS 110 HB3 LYS 110 -0.258 -16.020 -7.033 915 HG2 LYS 110 HG2 LYS 110 -1.542 -13.298 -7.151 916 HG3 LYS 110 HG3 LYS 110 -0.197 -13.883 -8.122 917 HD2 LYS 110 HD2 LYS 110 -3.004 -14.993 -8.181 918 HD3 LYS 110 HD3 LYS 110 -2.339 -13.857 -9.352 919 HE2 LYS 110 HE2 LYS 110 -1.390 -16.667 -8.819 920 HE3 LYS 110 HE3 LYS 110 -2.271 -16.089 -10.232 921 HZ1 LYS 110 HZ1 LYS 110 -0.396 -14.694 -10.800 922 HZ2 LYS 110 HZ2 LYS 110 0.088 -16.305 -10.689 923 HZ3 LYS 110 HZ3 LYS 110 0.464 -15.230 -9.448 924 H VAL 111 H VAL 111 -1.135 -14.978 -3.625 925 HA VAL 111 HA VAL 111 0.207 -17.322 -2.817 926 HB VAL 111 HB VAL 111 0.551 -16.218 -0.649 927 HG11 VAL 111 HG11 VAL 111 1.787 -14.254 -1.475 928 HG12 VAL 111 HG12 VAL 111 0.997 -14.456 -3.039 929 HG13 VAL 111 HG13 VAL 111 2.077 -15.709 -2.427 930 HG21 VAL 111 HG21 VAL 111 -1.574 -15.100 -0.361 931 HG22 VAL 111 HG22 VAL 111 -1.229 -14.054 -1.739 932 HG23 VAL 111 HG23 VAL 111 -0.258 -13.928 -0.272 933 H LYS 112 H LYS 112 -2.947 -15.960 -1.904 934 HA LYS 112 HA LYS 112 -3.494 -18.081 -0.088 935 HB2 LYS 112 HB2 LYS 112 -5.632 -17.107 0.212 936 HB3 LYS 112 HB3 LYS 112 -4.515 -15.777 -0.024 937 HG2 LYS 112 HG2 LYS 112 -5.284 -15.713 -2.422 938 HG3 LYS 112 HG3 LYS 112 -6.571 -16.825 -1.943 939 HD2 LYS 112 HD2 LYS 112 -7.210 -15.181 -0.151 940 HD3 LYS 112 HD3 LYS 112 -6.042 -14.062 -0.852 941 HE2 LYS 112 HE2 LYS 112 -7.306 -14.138 -2.983 942 HE3 LYS 112 HE3 LYS 112 -8.477 -15.197 -2.215 943 HZ1 LYS 112 HZ1 LYS 112 -7.841 -12.439 -1.299 944 HZ2 LYS 112 HZ2 LYS 112 -9.051 -13.454 -0.691 945 HZ3 LYS 112 HZ3 LYS 112 -9.170 -12.857 -2.264 946 H ASP 113 H ASP 113 -3.571 -17.846 -3.438 947 HA ASP 113 HA ASP 113 -5.570 -19.860 -3.911 948 HB2 ASP 113 HB2 ASP 113 -4.996 -18.097 -5.586 949 HB3 ASP 113 HB3 ASP 113 -3.431 -18.871 -5.809 950 H ILE 114 H ILE 114 -2.150 -19.823 -3.234 951 HA ILE 114 HA ILE 114 -1.571 -22.462 -4.179 952 HB ILE 114 HB ILE 114 -0.187 -20.492 -2.402 953 HG12 ILE 114 HG12 ILE 114 1.780 -21.214 -3.812 954 HG13 ILE 114 HG13 ILE 114 0.670 -22.243 -4.703 955 HG21 ILE 114 HG21 ILE 114 -0.108 -22.491 -1.009 956 HG22 ILE 114 HG22 ILE 114 1.490 -22.096 -1.642 957 HG23 ILE 114 HG23 ILE 114 0.560 -23.413 -2.356 958 HD11 ILE 114 HD11 ILE 114 1.187 -20.109 -5.794 959 HD12 ILE 114 HD12 ILE 114 0.400 -19.266 -4.455 960 HD13 ILE 114 HD13 ILE 114 -0.537 -20.345 -5.495 961 H GLN 115 H GLN 115 -2.384 -24.335 -3.378 962 HA GLN 115 HA GLN 115 -3.859 -24.392 -0.978 963 HB2 GLN 115 HB2 GLN 115 -3.996 -26.829 -1.450 964 HB3 GLN 115 HB3 GLN 115 -4.481 -25.823 -2.807 965 HG2 GLN 115 HG2 GLN 115 -2.335 -26.197 -3.874 966 HG3 GLN 115 HG3 GLN 115 -1.797 -27.146 -2.490 967 HE21 GLN 115 HE21 GLN 115 -3.868 -27.050 -5.271 968 HE22 GLN 115 HE22 GLN 115 -4.232 -28.740 -5.304 969 H THR 116 H THR 116 -3.162 -24.686 0.999 970 HA THR 116 HA THR 116 -0.556 -25.980 1.425 971 HB THR 116 HB THR 116 -0.363 -24.546 3.458 972 HG1 THR 116 HG1 THR 116 -1.985 -22.574 2.966 973 HG21 THR 116 HG21 THR 116 -0.753 -23.034 0.873 974 HG22 THR 116 HG22 THR 116 0.711 -23.894 1.338 975 HG23 THR 116 HG23 THR 116 0.188 -22.479 2.257 976 H GLN 117 H GLN 117 -0.729 -26.189 4.208 977 HA GLN 117 HA GLN 117 -2.776 -28.215 4.476 978 HB2 GLN 117 HB2 GLN 117 -0.542 -27.421 6.331 979 HB3 GLN 117 HB3 GLN 117 -1.727 -28.657 6.704 980 HG2 GLN 117 HG2 GLN 117 -0.992 -29.875 4.653 981 HG3 GLN 117 HG3 GLN 117 0.313 -28.704 4.499 982 HE21 GLN 117 HE21 GLN 117 -0.959 -31.348 6.344 983 HE22 GLN 117 HE22 GLN 117 0.472 -31.664 7.262 Start of MODEL 6 1 H GLN 1 H1 GLN 1 20.138 -4.979 -9.741 2 HA GLN 1 HA GLN 1 19.243 -4.593 -11.922 3 HB2 GLN 1 HB2 GLN 1 20.550 -6.322 -13.098 4 HB3 GLN 1 HB3 GLN 1 19.642 -7.578 -12.280 5 HG2 GLN 1 HG2 GLN 1 18.872 -7.309 -14.556 6 HG3 GLN 1 HG3 GLN 1 17.606 -6.855 -13.420 7 HE21 GLN 1 HE21 GLN 1 20.368 -4.860 -14.226 8 HE22 GLN 1 HE22 GLN 1 19.474 -3.630 -15.040 9 H GLU 2 H GLU 2 18.696 -6.210 -9.091 10 HA GLU 2 HA GLU 2 16.111 -7.255 -9.479 11 HB2 GLU 2 HB2 GLU 2 17.690 -7.559 -7.468 12 HB3 GLU 2 HB3 GLU 2 17.058 -6.021 -6.905 13 HG2 GLU 2 HG2 GLU 2 15.906 -7.888 -5.871 14 HG3 GLU 2 HG3 GLU 2 14.813 -6.925 -6.866 15 H HIS 3 H HIS 3 17.150 -4.138 -8.104 16 HA HIS 3 HA HIS 3 14.455 -3.139 -8.563 17 HB2 HIS 3 HB2 HIS 3 15.193 -1.114 -7.245 18 HB3 HIS 3 HB3 HIS 3 15.187 -2.623 -6.353 19 HD1 HIS 3 HD1 HIS 3 17.294 -3.188 -5.120 20 HD2 HIS 3 HD2 HIS 3 17.891 -0.216 -7.970 21 HE1 HIS 3 HE1 HIS 3 19.618 -2.336 -4.733 22 HE2 HIS 3 HE2 HIS 3 20.011 -0.655 -6.560 23 H LYS 4 H LYS 4 14.128 -2.580 -10.505 24 HA LYS 4 HA LYS 4 15.959 -1.501 -12.360 25 HB2 LYS 4 HB2 LYS 4 12.955 -1.624 -12.240 26 HB3 LYS 4 HB3 LYS 4 13.738 -0.726 -13.526 27 HG2 LYS 4 HG2 LYS 4 13.159 -2.948 -14.282 28 HG3 LYS 4 HG3 LYS 4 14.910 -2.778 -14.221 29 HD2 LYS 4 HD2 LYS 4 14.963 -3.974 -12.099 30 HD3 LYS 4 HD3 LYS 4 13.205 -4.101 -12.111 31 HE2 LYS 4 HE2 LYS 4 13.288 -5.463 -14.111 32 HE3 LYS 4 HE3 LYS 4 15.037 -5.262 -14.207 33 HZ1 LYS 4 HZ1 LYS 4 13.571 -6.626 -12.015 34 HZ2 LYS 4 HZ2 LYS 4 15.247 -6.425 -12.105 35 HZ3 LYS 4 HZ3 LYS 4 14.450 -7.388 -13.242 36 HA PRO 5 HA PRO 5 16.297 2.914 -11.756 37 HB2 PRO 5 HB2 PRO 5 14.965 3.855 -14.071 38 HB3 PRO 5 HB3 PRO 5 16.698 3.574 -13.894 39 HG2 PRO 5 HG2 PRO 5 14.612 1.821 -15.094 40 HG3 PRO 5 HG3 PRO 5 16.314 2.015 -15.545 41 HD2 PRO 5 HD2 PRO 5 15.487 -0.152 -14.234 42 HD3 PRO 5 HD3 PRO 5 17.050 0.600 -13.854 43 H LYS 6 H LYS 6 14.962 4.875 -11.324 44 HA LYS 6 HA LYS 6 12.402 3.942 -10.307 45 HB2 LYS 6 HB2 LYS 6 14.051 4.955 -8.748 46 HB3 LYS 6 HB3 LYS 6 13.922 6.460 -9.641 47 HG2 LYS 6 HG2 LYS 6 12.592 6.497 -7.592 48 HG3 LYS 6 HG3 LYS 6 11.582 6.655 -9.029 49 HD2 LYS 6 HD2 LYS 6 10.639 5.122 -7.313 50 HD3 LYS 6 HD3 LYS 6 10.908 4.347 -8.875 51 HE2 LYS 6 HE2 LYS 6 12.891 3.274 -8.076 52 HE3 LYS 6 HE3 LYS 6 12.864 4.210 -6.582 53 HZ1 LYS 6 HZ1 LYS 6 12.038 1.898 -6.373 54 HZ2 LYS 6 HZ2 LYS 6 10.707 2.317 -7.356 55 HZ3 LYS 6 HZ3 LYS 6 10.951 3.092 -5.863 56 H LYS 7 H LYS 7 10.515 4.722 -10.968 57 HA LYS 7 HA LYS 7 10.272 6.192 -13.355 58 HB2 LYS 7 HB2 LYS 7 7.867 6.265 -12.830 59 HB3 LYS 7 HB3 LYS 7 8.527 4.655 -12.570 60 HG2 LYS 7 HG2 LYS 7 8.568 5.013 -10.178 61 HG3 LYS 7 HG3 LYS 7 8.046 6.683 -10.391 62 HD2 LYS 7 HD2 LYS 7 5.969 5.856 -11.409 63 HD3 LYS 7 HD3 LYS 7 6.476 4.200 -11.046 64 HE2 LYS 7 HE2 LYS 7 5.752 6.419 -9.145 65 HE3 LYS 7 HE3 LYS 7 5.005 4.832 -9.300 66 HZ1 LYS 7 HZ1 LYS 7 7.665 5.491 -8.186 67 HZ2 LYS 7 HZ2 LYS 7 7.184 3.890 -8.535 68 HZ3 LYS 7 HZ3 LYS 7 6.353 4.801 -7.372 69 H ASP 8 H ASP 8 10.038 7.074 -9.969 70 HA ASP 8 HA ASP 8 9.361 9.817 -10.513 71 HB2 ASP 8 HB2 ASP 8 10.108 8.421 -7.941 72 HB3 ASP 8 HB3 ASP 8 9.444 10.051 -8.060 73 H ASP 9 H ASP 9 10.740 11.589 -10.302 74 HA ASP 9 HA ASP 9 13.580 10.892 -10.241 75 HB2 ASP 9 HB2 ASP 9 12.578 11.946 -12.328 76 HB3 ASP 9 HB3 ASP 9 12.357 13.409 -11.375 77 H PHE 10 H PHE 10 12.040 11.230 -7.848 78 HA PHE 10 HA PHE 10 12.260 13.757 -6.699 79 HB2 PHE 10 HB2 PHE 10 11.853 11.027 -5.691 80 HB3 PHE 10 HB3 PHE 10 12.581 12.135 -4.531 81 HD1 PHE 10 HD1 PHE 10 9.793 12.088 -7.015 82 HD2 PHE 10 HD2 PHE 10 11.173 13.344 -3.191 83 HE1 PHE 10 HE1 PHE 10 7.584 13.061 -6.541 84 HE2 PHE 10 HE2 PHE 10 8.966 14.317 -2.709 85 HZ PHE 10 HZ PHE 10 7.169 14.179 -4.387 86 H ARG 11 H ARG 11 13.693 14.396 -4.926 87 HA ARG 11 HA ARG 11 16.462 13.548 -5.274 88 HB2 ARG 11 HB2 ARG 11 15.602 16.407 -5.815 89 HB3 ARG 11 HB3 ARG 11 17.256 15.808 -5.821 90 HG2 ARG 11 HG2 ARG 11 16.842 14.472 -7.756 91 HG3 ARG 11 HG3 ARG 11 15.115 14.814 -7.685 92 HD2 ARG 11 HD2 ARG 11 15.718 17.244 -8.009 93 HD3 ARG 11 HD3 ARG 11 17.357 16.695 -8.371 94 HE ARG 11 HE ARG 11 15.530 15.254 -9.947 95 HH11 ARG 11 HH11 ARG 11 16.883 18.482 -9.687 96 HH12 ARG 11 HH12 ARG 11 16.618 18.856 -11.353 97 HH21 ARG 11 HH21 ARG 11 15.184 15.740 -12.130 98 HH22 ARG 11 HH22 ARG 11 15.646 17.295 -12.758 99 H ASN 12 H ASN 12 17.584 15.849 -4.028 100 HA ASN 12 HA ASN 12 16.965 15.242 -1.278 101 HB2 ASN 12 HB2 ASN 12 18.926 17.207 -2.489 102 HB3 ASN 12 HB3 ASN 12 18.821 16.817 -0.777 103 HD21 ASN 12 HD21 ASN 12 19.591 14.848 -0.050 104 HD22 ASN 12 HD22 ASN 12 20.562 13.808 -1.032 105 H GLU 13 H GLU 13 14.969 16.643 -2.951 106 HA GLU 13 HA GLU 13 14.718 19.226 -1.610 107 HB2 GLU 13 HB2 GLU 13 13.172 17.996 -3.901 108 HB3 GLU 13 HB3 GLU 13 12.865 19.592 -3.231 109 HG2 GLU 13 HG2 GLU 13 15.012 20.368 -3.918 110 HG3 GLU 13 HG3 GLU 13 15.492 18.748 -4.413 111 H PHE 14 H PHE 14 13.589 19.327 0.141 112 HA PHE 14 HA PHE 14 11.553 17.276 0.656 113 HB2 PHE 14 HB2 PHE 14 13.228 18.873 2.591 114 HB3 PHE 14 HB3 PHE 14 11.844 17.906 3.087 115 HD1 PHE 14 HD1 PHE 14 15.251 17.793 1.707 116 HD2 PHE 14 HD2 PHE 14 11.966 15.522 3.180 117 HE1 PHE 14 HE1 PHE 14 16.693 15.805 1.848 118 HE2 PHE 14 HE2 PHE 14 13.402 13.530 3.324 119 HZ PHE 14 HZ PHE 14 15.769 13.669 2.659 120 H ASP 15 H ASP 15 10.122 18.568 -0.681 121 HA ASP 15 HA ASP 15 9.186 21.102 0.235 122 HB2 ASP 15 HB2 ASP 15 8.121 19.081 -1.724 123 HB3 ASP 15 HB3 ASP 15 7.179 20.499 -1.282 124 H HIS 16 H HIS 16 8.435 17.810 0.895 125 HA HIS 16 HA HIS 16 6.819 16.744 2.051 126 HB2 HIS 16 HB2 HIS 16 6.737 17.348 4.454 127 HB3 HIS 16 HB3 HIS 16 8.374 17.265 3.831 128 HD1 HIS 16 HD1 HIS 16 5.923 19.556 5.404 129 HD2 HIS 16 HD2 HIS 16 9.723 19.786 3.744 130 HE1 HIS 16 HE1 HIS 16 6.861 21.766 6.161 131 HE2 HIS 16 HE2 HIS 16 9.072 21.962 4.974 132 H LEU 17 H LEU 17 5.252 17.437 0.492 133 HA LEU 17 HA LEU 17 3.066 18.869 1.821 134 HB2 LEU 17 HB2 LEU 17 3.842 18.926 -1.095 135 HB3 LEU 17 HB3 LEU 17 2.317 19.532 -0.490 136 HG LEU 17 HG LEU 17 4.991 20.617 0.375 137 HD11 LEU 17 HD11 LEU 17 4.701 20.948 -2.019 138 HD12 LEU 17 HD12 LEU 17 4.528 22.472 -1.151 139 HD13 LEU 17 HD13 LEU 17 3.098 21.628 -1.742 140 HD21 LEU 17 HD21 LEU 17 3.151 21.010 1.934 141 HD22 LEU 17 HD22 LEU 17 2.177 21.676 0.624 142 HD23 LEU 17 HD23 LEU 17 3.642 22.508 1.143 143 H LEU 18 H LEU 18 1.150 18.326 -0.125 144 HA LEU 18 HA LEU 18 0.129 15.909 0.796 145 HB2 LEU 18 HB2 LEU 18 -0.605 17.426 -1.697 146 HB3 LEU 18 HB3 LEU 18 -1.585 16.191 -0.929 147 HG LEU 18 HG LEU 18 -0.797 18.762 0.438 148 HD11 LEU 18 HD11 LEU 18 -3.294 18.099 -1.102 149 HD12 LEU 18 HD12 LEU 18 -2.105 19.343 -1.485 150 HD13 LEU 18 HD13 LEU 18 -3.105 19.494 -0.042 151 HD21 LEU 18 HD21 LEU 18 -2.648 18.193 1.941 152 HD22 LEU 18 HD22 LEU 18 -1.402 16.945 1.945 153 HD23 LEU 18 HD23 LEU 18 -2.903 16.689 1.056 154 H ILE 19 H ILE 19 1.276 16.577 -2.537 155 HA ILE 19 HA ILE 19 1.050 13.857 -3.293 156 HB ILE 19 HB ILE 19 2.476 16.160 -4.637 157 HG12 ILE 19 HG12 ILE 19 0.039 16.311 -4.562 158 HG13 ILE 19 HG13 ILE 19 0.585 16.016 -6.209 159 HG21 ILE 19 HG21 ILE 19 3.594 14.066 -5.288 160 HG22 ILE 19 HG22 ILE 19 2.676 14.744 -6.632 161 HG23 ILE 19 HG23 ILE 19 2.034 13.373 -5.732 162 HD11 ILE 19 HD11 ILE 19 -1.372 14.683 -5.716 163 HD12 ILE 19 HD12 ILE 19 -0.578 13.976 -4.320 164 HD13 ILE 19 HD13 ILE 19 0.025 13.635 -5.943 165 H GLU 20 H GLU 20 3.721 15.787 -2.095 166 HA GLU 20 HA GLU 20 5.811 14.021 -2.585 167 HB2 GLU 20 HB2 GLU 20 5.362 15.961 -0.318 168 HB3 GLU 20 HB3 GLU 20 6.860 15.073 -0.523 169 HG2 GLU 20 HG2 GLU 20 7.063 17.333 -1.392 170 HG3 GLU 20 HG3 GLU 20 7.217 16.152 -2.688 171 H GLN 21 H GLN 21 3.565 14.157 0.163 172 HA GLN 21 HA GLN 21 4.740 11.984 1.557 173 HB2 GLN 21 HB2 GLN 21 1.958 13.150 1.747 174 HB3 GLN 21 HB3 GLN 21 2.603 11.940 2.847 175 HG2 GLN 21 HG2 GLN 21 3.684 14.726 2.447 176 HG3 GLN 21 HG3 GLN 21 2.711 14.174 3.807 177 HE21 GLN 21 HE21 GLN 21 4.070 11.593 3.974 178 HE22 GLN 21 HE22 GLN 21 5.625 11.912 4.658 179 H ALA 22 H ALA 22 2.068 12.198 -0.804 180 HA ALA 22 HA ALA 22 1.289 9.483 -0.596 181 HB1 ALA 22 HB1 ALA 22 0.112 9.884 -2.708 182 HB2 ALA 22 HB2 ALA 22 0.970 11.413 -2.897 183 HB3 ALA 22 HB3 ALA 22 -0.163 11.198 -1.566 184 H ASN 23 H ASN 23 3.555 11.232 -2.538 185 HA ASN 23 HA ASN 23 4.236 9.142 -4.327 186 HB2 ASN 23 HB2 ASN 23 4.730 11.597 -4.670 187 HB3 ASN 23 HB3 ASN 23 6.041 11.417 -3.508 188 HD21 ASN 23 HD21 ASN 23 4.905 10.674 -6.678 189 HD22 ASN 23 HD22 ASN 23 6.393 10.062 -7.309 190 H HIS 24 H HIS 24 5.489 10.250 -1.241 191 HA HIS 24 HA HIS 24 7.700 8.527 -1.080 192 HB2 HIS 24 HB2 HIS 24 6.989 10.526 0.453 193 HB3 HIS 24 HB3 HIS 24 6.089 9.304 1.338 194 HD1 HIS 24 HD1 HIS 24 9.337 10.854 1.125 195 HD2 HIS 24 HD2 HIS 24 7.876 7.157 2.336 196 HE1 HIS 24 HE1 HIS 24 11.150 9.846 2.534 197 HE2 HIS 24 HE2 HIS 24 10.124 7.752 3.467 198 H ALA 25 H ALA 25 4.304 8.158 -0.014 199 HA ALA 25 HA ALA 25 4.521 5.625 1.086 200 HB1 ALA 25 HB1 ALA 25 2.106 5.505 0.836 201 HB2 ALA 25 HB2 ALA 25 2.142 6.863 -0.291 202 HB3 ALA 25 HB3 ALA 25 2.597 7.105 1.397 203 H ILE 26 H ILE 26 3.591 6.531 -2.267 204 HA ILE 26 HA ILE 26 3.283 3.823 -3.073 205 HB ILE 26 HB ILE 26 3.260 4.618 -5.399 206 HG12 ILE 26 HG12 ILE 26 3.852 7.334 -4.227 207 HG13 ILE 26 HG13 ILE 26 4.988 6.377 -5.169 208 HG21 ILE 26 HG21 ILE 26 1.294 6.079 -5.225 209 HG22 ILE 26 HG22 ILE 26 1.637 6.316 -3.512 210 HG23 ILE 26 HG23 ILE 26 1.213 4.713 -4.111 211 HD11 ILE 26 HD11 ILE 26 3.977 8.130 -6.517 212 HD12 ILE 26 HD12 ILE 26 2.371 7.492 -6.164 213 HD13 ILE 26 HD13 ILE 26 3.513 6.536 -7.109 214 H GLU 27 H GLU 27 6.024 5.991 -3.023 215 HA GLU 27 HA GLU 27 7.857 4.529 -4.549 216 HB2 GLU 27 HB2 GLU 27 8.388 6.753 -3.723 217 HB3 GLU 27 HB3 GLU 27 8.241 6.217 -2.059 218 HG2 GLU 27 HG2 GLU 27 10.557 6.500 -2.647 219 HG3 GLU 27 HG3 GLU 27 10.216 4.796 -2.358 220 H LYS 28 H LYS 28 7.292 4.476 -1.054 221 HA LYS 28 HA LYS 28 8.949 2.286 -0.472 222 HB2 LYS 28 HB2 LYS 28 7.907 4.078 1.082 223 HB3 LYS 28 HB3 LYS 28 6.498 3.036 1.112 224 HG2 LYS 28 HG2 LYS 28 9.196 1.958 1.831 225 HG3 LYS 28 HG3 LYS 28 8.249 2.876 3.002 226 HD2 LYS 28 HD2 LYS 28 6.390 1.287 2.707 227 HD3 LYS 28 HD3 LYS 28 7.384 0.356 1.583 228 HE2 LYS 28 HE2 LYS 28 8.974 -0.139 3.307 229 HE3 LYS 28 HE3 LYS 28 8.164 0.951 4.429 230 HZ1 LYS 28 HZ1 LYS 28 6.982 -1.525 3.303 231 HZ2 LYS 28 HZ2 LYS 28 6.255 -0.497 4.432 232 HZ3 LYS 28 HZ3 LYS 28 7.641 -1.373 4.849 233 H GLY 29 H GLY 29 5.507 2.553 -1.264 234 HA2 GLY 29 HA2 GLY 29 4.750 -0.104 -0.830 235 HA3 GLY 29 HA3 GLY 29 3.960 1.020 -1.923 236 H GLU 30 H GLU 30 6.009 1.484 -3.710 237 HA GLU 30 HA GLU 30 5.729 -0.627 -5.517 238 HB2 GLU 30 HB2 GLU 30 6.227 1.700 -6.151 239 HB3 GLU 30 HB3 GLU 30 7.825 1.548 -5.443 240 HG2 GLU 30 HG2 GLU 30 8.379 -0.173 -7.105 241 HG3 GLU 30 HG3 GLU 30 6.780 0.027 -7.823 242 H HIS 31 H HIS 31 8.434 0.297 -3.454 243 HA HIS 31 HA HIS 31 10.244 -1.666 -4.348 244 HB2 HIS 31 HB2 HIS 31 10.760 0.448 -3.034 245 HB3 HIS 31 HB3 HIS 31 10.226 -0.419 -1.599 246 HD1 HIS 31 HD1 HIS 31 11.933 -1.865 -0.460 247 HD2 HIS 31 HD2 HIS 31 13.109 -0.713 -4.277 248 HE1 HIS 31 HE1 HIS 31 14.317 -2.621 -0.691 249 HE2 HIS 31 HE2 HIS 31 15.065 -1.715 -2.914 250 H GLN 32 H GLN 32 8.104 -1.596 -1.522 251 HA GLN 32 HA GLN 32 8.844 -4.181 -0.594 252 HB2 GLN 32 HB2 GLN 32 6.950 -4.034 0.917 253 HB3 GLN 32 HB3 GLN 32 7.833 -2.516 0.895 254 HG2 GLN 32 HG2 GLN 32 6.158 -1.552 -0.579 255 HG3 GLN 32 HG3 GLN 32 5.274 -3.075 -0.581 256 HE21 GLN 32 HE21 GLN 32 5.817 -3.567 2.250 257 HE22 GLN 32 HE22 GLN 32 4.777 -2.496 3.111 258 H LEU 33 H LEU 33 6.343 -3.079 -2.830 259 HA LEU 33 HA LEU 33 4.905 -5.506 -2.960 260 HB2 LEU 33 HB2 LEU 33 4.007 -3.393 -3.814 261 HB3 LEU 33 HB3 LEU 33 5.252 -3.330 -5.036 262 HG LEU 33 HG LEU 33 2.783 -4.099 -5.607 263 HD11 LEU 33 HD11 LEU 33 5.190 -5.498 -6.747 264 HD12 LEU 33 HD12 LEU 33 4.616 -3.893 -7.201 265 HD13 LEU 33 HD13 LEU 33 3.614 -5.308 -7.523 266 HD21 LEU 33 HD21 LEU 33 4.069 -6.733 -4.845 267 HD22 LEU 33 HD22 LEU 33 2.503 -6.516 -5.624 268 HD23 LEU 33 HD23 LEU 33 2.751 -5.949 -3.974 269 H LEU 34 H LEU 34 7.628 -4.256 -4.876 270 HA LEU 34 HA LEU 34 7.816 -6.495 -6.591 271 HB2 LEU 34 HB2 LEU 34 9.957 -4.554 -5.704 272 HB3 LEU 34 HB3 LEU 34 10.116 -5.688 -7.029 273 HG LEU 34 HG LEU 34 8.162 -3.389 -6.925 274 HD11 LEU 34 HD11 LEU 34 10.463 -2.633 -7.153 275 HD12 LEU 34 HD12 LEU 34 9.568 -2.398 -8.654 276 HD13 LEU 34 HD13 LEU 34 10.702 -3.738 -8.506 277 HD21 LEU 34 HD21 LEU 34 8.797 -5.346 -9.134 278 HD22 LEU 34 HD22 LEU 34 7.755 -3.930 -9.284 279 HD23 LEU 34 HD23 LEU 34 7.291 -5.256 -8.221 280 H TYR 35 H TYR 35 8.940 -5.811 -3.365 281 HA TYR 35 HA TYR 35 10.802 -7.949 -3.192 282 HB2 TYR 35 HB2 TYR 35 11.104 -6.173 -1.638 283 HB3 TYR 35 HB3 TYR 35 9.427 -6.250 -1.110 284 HD1 TYR 35 HD1 TYR 35 12.540 -8.332 -1.177 285 HD2 TYR 35 HD2 TYR 35 8.906 -7.404 0.834 286 HE1 TYR 35 HE1 TYR 35 13.174 -9.842 0.661 287 HE2 TYR 35 HE2 TYR 35 9.533 -8.905 2.672 288 HH TYR 35 HH TYR 35 10.948 -10.830 3.047 289 H LEU 36 H LEU 36 7.395 -7.541 -2.009 290 HA LEU 36 HA LEU 36 7.224 -10.076 -0.875 291 HB2 LEU 36 HB2 LEU 36 5.108 -8.183 -1.883 292 HB3 LEU 36 HB3 LEU 36 4.767 -9.639 -0.969 293 HG LEU 36 HG LEU 36 6.393 -7.306 0.054 294 HD11 LEU 36 HD11 LEU 36 4.465 -6.840 1.474 295 HD12 LEU 36 HD12 LEU 36 3.562 -8.124 0.673 296 HD13 LEU 36 HD13 LEU 36 4.059 -6.696 -0.236 297 HD21 LEU 36 HD21 LEU 36 6.152 -8.427 2.232 298 HD22 LEU 36 HD22 LEU 36 7.060 -9.403 1.078 299 HD23 LEU 36 HD23 LEU 36 5.377 -9.793 1.431 300 H GLN 37 H GLN 37 6.668 -8.938 -4.159 301 HA GLN 37 HA GLN 37 5.305 -11.215 -5.058 302 HB2 GLN 37 HB2 GLN 37 7.085 -9.321 -6.589 303 HB3 GLN 37 HB3 GLN 37 6.095 -10.567 -7.340 304 HG2 GLN 37 HG2 GLN 37 4.112 -9.514 -6.249 305 HG3 GLN 37 HG3 GLN 37 5.170 -8.195 -5.763 306 HE21 GLN 37 HE21 GLN 37 2.851 -8.159 -7.441 307 HE22 GLN 37 HE22 GLN 37 3.341 -7.481 -8.951 308 H HIS 38 H HIS 38 8.687 -10.573 -4.502 309 HA HIS 38 HA HIS 38 9.637 -12.931 -5.794 310 HB2 HIS 38 HB2 HIS 38 10.832 -10.871 -4.022 311 HB3 HIS 38 HB3 HIS 38 11.622 -12.442 -4.064 312 HD1 HIS 38 HD1 HIS 38 12.598 -13.204 -6.378 313 HD2 HIS 38 HD2 HIS 38 11.223 -9.288 -6.254 314 HE1 HIS 38 HE1 HIS 38 13.540 -12.100 -8.416 315 HE2 HIS 38 HE2 HIS 38 13.004 -9.673 -8.090 316 H GLN 39 H GLN 39 8.447 -12.152 -2.551 317 HA GLN 39 HA GLN 39 9.277 -14.535 -1.309 318 HB2 GLN 39 HB2 GLN 39 6.893 -12.772 -0.682 319 HB3 GLN 39 HB3 GLN 39 7.640 -13.938 0.403 320 HG2 GLN 39 HG2 GLN 39 9.040 -11.506 -0.685 321 HG3 GLN 39 HG3 GLN 39 8.214 -11.563 0.870 322 HE21 GLN 39 HE21 GLN 39 9.112 -12.704 2.550 323 HE22 GLN 39 HE22 GLN 39 10.742 -13.281 2.522 324 H LEU 40 H LEU 40 6.290 -13.457 -2.861 325 HA LEU 40 HA LEU 40 4.734 -15.708 -2.681 326 HB2 LEU 40 HB2 LEU 40 3.887 -13.658 -3.615 327 HB3 LEU 40 HB3 LEU 40 5.018 -13.744 -4.950 328 HG LEU 40 HG LEU 40 3.848 -15.811 -5.725 329 HD11 LEU 40 HD11 LEU 40 1.619 -16.280 -4.855 330 HD12 LEU 40 HD12 LEU 40 1.836 -15.036 -3.624 331 HD13 LEU 40 HD13 LEU 40 2.852 -16.477 -3.609 332 HD21 LEU 40 HD21 LEU 40 1.976 -14.634 -6.707 333 HD22 LEU 40 HD22 LEU 40 3.395 -13.589 -6.681 334 HD23 LEU 40 HD23 LEU 40 2.109 -13.362 -5.498 335 H ASP 41 H ASP 41 7.230 -14.969 -5.166 336 HA ASP 41 HA ASP 41 6.853 -17.238 -6.733 337 HB2 ASP 41 HB2 ASP 41 8.122 -15.314 -7.499 338 HB3 ASP 41 HB3 ASP 41 9.299 -15.533 -6.212 339 H GLU 42 H GLU 42 8.855 -16.603 -3.917 340 HA GLU 42 HA GLU 42 10.234 -19.032 -3.822 341 HB2 GLU 42 HB2 GLU 42 10.909 -17.049 -2.559 342 HB3 GLU 42 HB3 GLU 42 9.428 -17.122 -1.620 343 HG2 GLU 42 HG2 GLU 42 11.260 -17.942 -0.314 344 HG3 GLU 42 HG3 GLU 42 10.156 -19.268 -0.680 345 H LEU 43 H LEU 43 7.075 -17.996 -2.411 346 HA LEU 43 HA LEU 43 6.661 -20.267 -0.834 347 HB2 LEU 43 HB2 LEU 43 5.591 -18.118 -0.433 348 HB3 LEU 43 HB3 LEU 43 4.811 -18.171 -1.992 349 HG LEU 43 HG LEU 43 3.398 -18.615 0.100 350 HD11 LEU 43 HD11 LEU 43 2.587 -18.983 -2.153 351 HD12 LEU 43 HD12 LEU 43 1.980 -20.209 -1.042 352 HD13 LEU 43 HD13 LEU 43 3.294 -20.598 -2.153 353 HD21 LEU 43 HD21 LEU 43 4.867 -20.174 1.225 354 HD22 LEU 43 HD22 LEU 43 4.747 -21.301 -0.127 355 HD23 LEU 43 HD23 LEU 43 3.327 -20.950 0.859 356 H ASN 44 H ASN 44 5.984 -19.518 -4.205 357 HA ASN 44 HA ASN 44 4.024 -21.495 -4.692 358 HB2 ASN 44 HB2 ASN 44 6.014 -20.184 -6.559 359 HB3 ASN 44 HB3 ASN 44 4.711 -21.234 -7.097 360 HD21 ASN 44 HD21 ASN 44 5.177 -18.492 -7.791 361 HD22 ASN 44 HD22 ASN 44 3.794 -17.602 -7.261 362 H GLU 45 H GLU 45 7.488 -21.519 -4.752 363 HA GLU 45 HA GLU 45 7.580 -24.271 -5.707 364 HB2 GLU 45 HB2 GLU 45 9.756 -22.296 -5.053 365 HB3 GLU 45 HB3 GLU 45 10.063 -23.951 -5.555 366 HG2 GLU 45 HG2 GLU 45 8.968 -23.539 -7.672 367 HG3 GLU 45 HG3 GLU 45 8.575 -21.898 -7.168 368 H ASN 46 H ASN 46 8.234 -22.435 -2.728 369 HA ASN 46 HA ASN 46 9.487 -24.580 -1.363 370 HB2 ASN 46 HB2 ASN 46 9.910 -22.230 -0.837 371 HB3 ASN 46 HB3 ASN 46 8.227 -22.013 -0.379 372 HD21 ASN 46 HD21 ASN 46 11.314 -23.169 0.562 373 HD22 ASN 46 HD22 ASN 46 10.905 -23.551 2.197 374 H LYS 47 H LYS 47 6.083 -23.416 -1.593 375 HA LYS 47 HA LYS 47 4.199 -24.027 -0.605 376 HB2 LYS 47 HB2 LYS 47 5.187 -26.207 -1.876 377 HB3 LYS 47 HB3 LYS 47 4.987 -26.837 -0.247 378 HG2 LYS 47 HG2 LYS 47 2.995 -27.333 -1.460 379 HG3 LYS 47 HG3 LYS 47 2.614 -26.073 -0.292 380 HD2 LYS 47 HD2 LYS 47 1.568 -25.678 -2.517 381 HD3 LYS 47 HD3 LYS 47 2.645 -24.364 -2.083 382 HE2 LYS 47 HE2 LYS 47 4.367 -25.254 -3.515 383 HE3 LYS 47 HE3 LYS 47 3.400 -26.689 -3.854 384 HZ1 LYS 47 HZ1 LYS 47 3.273 -25.133 -5.662 385 HZ2 LYS 47 HZ2 LYS 47 2.763 -23.899 -4.637 386 HZ3 LYS 47 HZ3 LYS 47 1.762 -25.231 -4.918 387 H SER 48 H SER 48 3.901 -23.332 1.180 388 HA SER 48 HA SER 48 4.427 -24.729 3.658 389 HB2 SER 48 HB2 SER 48 6.010 -22.251 3.084 390 HB3 SER 48 HB3 SER 48 5.627 -22.703 4.747 391 HG SER 48 HG SER 48 7.460 -23.746 3.024 392 H LYS 49 H LYS 49 2.620 -24.607 4.771 393 HA LYS 49 HA LYS 49 0.696 -22.667 4.342 394 HB2 LYS 49 HB2 LYS 49 -0.388 -23.506 6.434 395 HB3 LYS 49 HB3 LYS 49 0.029 -24.775 5.297 396 HG2 LYS 49 HG2 LYS 49 1.922 -24.126 7.503 397 HG3 LYS 49 HG3 LYS 49 0.465 -25.050 7.865 398 HD2 LYS 49 HD2 LYS 49 1.105 -26.736 6.238 399 HD3 LYS 49 HD3 LYS 49 2.515 -25.795 5.776 400 HE2 LYS 49 HE2 LYS 49 3.346 -25.994 8.094 401 HE3 LYS 49 HE3 LYS 49 1.988 -27.061 8.453 402 HZ1 LYS 49 HZ1 LYS 49 4.067 -27.578 6.393 403 HZ2 LYS 49 HZ2 LYS 49 2.808 -28.624 6.817 404 HZ3 LYS 49 HZ3 LYS 49 4.030 -28.273 7.930 405 H GLU 50 H GLU 50 3.224 -22.945 6.828 406 HA GLU 50 HA GLU 50 2.564 -20.687 8.348 407 HB2 GLU 50 HB2 GLU 50 4.893 -20.878 9.188 408 HB3 GLU 50 HB3 GLU 50 4.063 -22.430 9.167 409 HG2 GLU 50 HG2 GLU 50 5.169 -22.776 6.883 410 HG3 GLU 50 HG3 GLU 50 6.207 -21.430 7.325 411 H LEU 51 H LEU 51 4.558 -21.101 5.554 412 HA LEU 51 HA LEU 51 5.652 -18.446 5.511 413 HB2 LEU 51 HB2 LEU 51 6.713 -20.335 4.318 414 HB3 LEU 51 HB3 LEU 51 5.337 -20.412 3.238 415 HG LEU 51 HG LEU 51 5.917 -18.230 2.300 416 HD11 LEU 51 HD11 LEU 51 8.022 -17.133 2.917 417 HD12 LEU 51 HD12 LEU 51 8.259 -18.318 4.201 418 HD13 LEU 51 HD13 LEU 51 6.900 -17.198 4.276 419 HD21 LEU 51 HD21 LEU 51 8.299 -20.085 2.389 420 HD22 LEU 51 HD22 LEU 51 7.939 -18.895 1.135 421 HD23 LEU 51 HD23 LEU 51 6.888 -20.296 1.355 422 H GLN 52 H GLN 52 2.937 -20.054 4.015 423 HA GLN 52 HA GLN 52 1.931 -17.974 2.458 424 HB2 GLN 52 HB2 GLN 52 1.141 -20.257 2.250 425 HB3 GLN 52 HB3 GLN 52 0.523 -20.232 3.892 426 HG2 GLN 52 HG2 GLN 52 -1.186 -18.670 3.285 427 HG3 GLN 52 HG3 GLN 52 -0.498 -18.488 1.676 428 HE21 GLN 52 HE21 GLN 52 -3.159 -19.363 2.498 429 HE22 GLN 52 HE22 GLN 52 -3.376 -20.919 1.786 430 H GLU 53 H GLU 53 1.290 -18.837 5.838 431 HA GLU 53 HA GLU 53 -0.603 -16.862 6.388 432 HB2 GLU 53 HB2 GLU 53 1.396 -18.172 8.228 433 HB3 GLU 53 HB3 GLU 53 0.059 -17.171 8.772 434 HG2 GLU 53 HG2 GLU 53 -1.498 -18.772 7.687 435 HG3 GLU 53 HG3 GLU 53 -0.111 -19.805 7.336 436 H LYS 54 H LYS 54 2.941 -16.746 6.723 437 HA LYS 54 HA LYS 54 3.119 -14.169 7.829 438 HB2 LYS 54 HB2 LYS 54 5.076 -15.500 5.949 439 HB3 LYS 54 HB3 LYS 54 5.429 -14.151 7.012 440 HG2 LYS 54 HG2 LYS 54 4.678 -16.934 7.870 441 HG3 LYS 54 HG3 LYS 54 6.294 -16.226 7.904 442 HD2 LYS 54 HD2 LYS 54 5.562 -14.577 9.527 443 HD3 LYS 54 HD3 LYS 54 3.912 -15.202 9.447 444 HE2 LYS 54 HE2 LYS 54 6.350 -16.691 10.408 445 HE3 LYS 54 HE3 LYS 54 5.050 -16.053 11.416 446 HZ1 LYS 54 HZ1 LYS 54 3.514 -17.553 10.265 447 HZ2 LYS 54 HZ2 LYS 54 4.739 -18.393 11.054 448 HZ3 LYS 54 HZ3 LYS 54 4.802 -18.197 9.375 449 H ILE 55 H ILE 55 3.116 -15.252 4.522 450 HA ILE 55 HA ILE 55 3.603 -12.747 3.309 451 HB ILE 55 HB ILE 55 2.199 -15.158 2.147 452 HG12 ILE 55 HG12 ILE 55 5.030 -14.125 1.855 453 HG13 ILE 55 HG13 ILE 55 4.540 -15.528 2.799 454 HG21 ILE 55 HG21 ILE 55 1.543 -13.141 0.929 455 HG22 ILE 55 HG22 ILE 55 2.612 -14.139 -0.055 456 HG23 ILE 55 HG23 ILE 55 3.238 -12.692 0.735 457 HD11 ILE 55 HD11 ILE 55 5.516 -16.189 0.684 458 HD12 ILE 55 HD12 ILE 55 4.315 -15.233 -0.186 459 HD13 ILE 55 HD13 ILE 55 3.811 -16.638 0.752 460 H ILE 56 H ILE 56 0.486 -14.451 3.776 461 HA ILE 56 HA ILE 56 -1.030 -12.298 2.742 462 HB ILE 56 HB ILE 56 -1.972 -14.552 2.802 463 HG12 ILE 56 HG12 ILE 56 -3.560 -12.622 4.513 464 HG13 ILE 56 HG13 ILE 56 -3.519 -12.641 2.754 465 HG21 ILE 56 HG21 ILE 56 -2.026 -14.245 5.798 466 HG22 ILE 56 HG22 ILE 56 -1.008 -15.353 4.881 467 HG23 ILE 56 HG23 ILE 56 -2.759 -15.566 4.889 468 HD11 ILE 56 HD11 ILE 56 -5.547 -13.665 3.601 469 HD12 ILE 56 HD12 ILE 56 -4.592 -14.825 4.526 470 HD13 ILE 56 HD13 ILE 56 -4.551 -14.856 2.762 471 H ARG 57 H ARG 57 0.084 -13.047 5.995 472 HA ARG 57 HA ARG 57 -1.565 -11.163 7.329 473 HB2 ARG 57 HB2 ARG 57 0.710 -12.884 8.038 474 HB3 ARG 57 HB3 ARG 57 0.614 -11.396 8.969 475 HG2 ARG 57 HG2 ARG 57 -0.521 -13.274 10.064 476 HG3 ARG 57 HG3 ARG 57 -1.623 -11.949 9.695 477 HD2 ARG 57 HD2 ARG 57 -2.303 -13.177 7.646 478 HD3 ARG 57 HD3 ARG 57 -1.305 -14.530 8.173 479 HE ARG 57 HE ARG 57 -2.787 -14.448 10.245 480 HH11 ARG 57 HH11 ARG 57 -3.888 -13.598 7.025 481 HH12 ARG 57 HH12 ARG 57 -5.532 -14.014 7.338 482 HH21 ARG 57 HH21 ARG 57 -4.979 -14.996 10.664 483 HH22 ARG 57 HH22 ARG 57 -6.159 -14.809 9.411 484 H GLU 58 H GLU 58 1.822 -10.952 6.191 485 HA GLU 58 HA GLU 58 2.015 -8.256 7.041 486 HB2 GLU 58 HB2 GLU 58 4.052 -9.514 6.844 487 HB3 GLU 58 HB3 GLU 58 3.750 -9.830 5.140 488 HG2 GLU 58 HG2 GLU 58 4.178 -7.614 4.536 489 HG3 GLU 58 HG3 GLU 58 4.040 -7.045 6.195 490 H LEU 59 H LEU 59 1.013 -9.803 4.058 491 HA LEU 59 HA LEU 59 1.105 -7.536 2.396 492 HB2 LEU 59 HB2 LEU 59 0.821 -9.961 1.731 493 HB3 LEU 59 HB3 LEU 59 -0.843 -9.832 2.255 494 HG LEU 59 HG LEU 59 -1.225 -8.092 0.544 495 HD11 LEU 59 HD11 LEU 59 1.597 -8.758 -0.264 496 HD12 LEU 59 HD12 LEU 59 1.015 -7.212 0.358 497 HD13 LEU 59 HD13 LEU 59 0.463 -7.796 -1.211 498 HD21 LEU 59 HD21 LEU 59 -0.083 -10.686 -0.480 499 HD22 LEU 59 HD22 LEU 59 -1.149 -9.602 -1.376 500 HD23 LEU 59 HD23 LEU 59 -1.736 -10.421 0.072 501 H ASP 60 H ASP 60 -1.421 -8.971 4.391 502 HA ASP 60 HA ASP 60 -3.500 -7.193 3.834 503 HB2 ASP 60 HB2 ASP 60 -3.896 -9.322 4.915 504 HB3 ASP 60 HB3 ASP 60 -2.934 -8.832 6.302 505 H VAL 61 H VAL 61 -1.124 -7.138 6.476 506 HA VAL 61 HA VAL 61 -2.186 -4.828 7.704 507 HB VAL 61 HB VAL 61 -0.593 -6.441 8.816 508 HG11 VAL 61 HG11 VAL 61 1.085 -6.525 7.032 509 HG12 VAL 61 HG12 VAL 61 1.783 -6.124 8.602 510 HG13 VAL 61 HG13 VAL 61 1.535 -4.860 7.400 511 HG21 VAL 61 HG21 VAL 61 0.504 -4.722 10.181 512 HG22 VAL 61 HG22 VAL 61 -1.195 -4.363 9.878 513 HG23 VAL 61 HG23 VAL 61 0.060 -3.510 8.982 514 H VAL 62 H VAL 62 0.217 -5.231 5.159 515 HA VAL 62 HA VAL 62 0.973 -2.494 4.990 516 HB VAL 62 HB VAL 62 1.146 -4.760 2.986 517 HG11 VAL 62 HG11 VAL 62 2.605 -3.315 1.646 518 HG12 VAL 62 HG12 VAL 62 2.273 -1.969 2.735 519 HG13 VAL 62 HG13 VAL 62 0.973 -2.655 1.759 520 HG21 VAL 62 HG21 VAL 62 3.547 -4.641 3.485 521 HG22 VAL 62 HG22 VAL 62 2.595 -4.970 4.932 522 HG23 VAL 62 HG23 VAL 62 3.236 -3.352 4.650 523 H CYS 63 H CYS 63 -1.467 -4.458 3.449 524 HA CYS 63 HA CYS 63 -2.370 -2.518 1.592 525 HB2 CYS 63 HB2 CYS 63 -2.949 -4.930 1.441 526 HB3 CYS 63 HB3 CYS 63 -3.975 -4.754 2.860 527 HG CYS 63 HG CYS 63 -4.894 -2.492 0.701 528 H ALA 64 H ALA 64 -3.263 -3.245 4.952 529 HA ALA 64 HA ALA 64 -5.434 -1.477 5.135 530 HB1 ALA 64 HB1 ALA 64 -5.041 -3.338 6.673 531 HB2 ALA 64 HB2 ALA 64 -5.188 -1.802 7.534 532 HB3 ALA 64 HB3 ALA 64 -3.598 -2.521 7.279 533 H MET 65 H MET 65 -1.985 -1.106 6.006 534 HA MET 65 HA MET 65 -2.349 1.507 7.071 535 HB2 MET 65 HB2 MET 65 0.036 1.676 7.203 536 HB3 MET 65 HB3 MET 65 -0.405 0.025 7.604 537 HG2 MET 65 HG2 MET 65 0.208 -0.680 5.350 538 HG3 MET 65 HG3 MET 65 0.670 0.974 4.966 539 HE1 MET 65 HE1 MET 65 2.843 -1.786 7.936 540 HE2 MET 65 HE2 MET 65 1.441 -2.223 6.953 541 HE3 MET 65 HE3 MET 65 1.259 -1.096 8.295 542 H ILE 66 H ILE 66 -1.568 0.287 3.892 543 HA ILE 66 HA ILE 66 -0.979 2.791 2.720 544 HB ILE 66 HB ILE 66 -1.453 0.036 1.740 545 HG12 ILE 66 HG12 ILE 66 0.526 0.532 0.360 546 HG13 ILE 66 HG13 ILE 66 0.461 2.214 0.864 547 HG21 ILE 66 HG21 ILE 66 -1.918 2.364 -0.117 548 HG22 ILE 66 HG22 ILE 66 -3.103 1.152 0.374 549 HG23 ILE 66 HG23 ILE 66 -1.717 0.680 -0.608 550 HD11 ILE 66 HD11 ILE 66 0.915 -0.114 2.722 551 HD12 ILE 66 HD12 ILE 66 1.009 1.600 3.123 552 HD13 ILE 66 HD13 ILE 66 2.188 0.887 2.025 553 H GLU 67 H GLU 67 -3.983 0.919 3.018 554 HA GLU 67 HA GLU 67 -5.534 2.705 1.450 555 HB2 GLU 67 HB2 GLU 67 -6.106 0.382 3.207 556 HB3 GLU 67 HB3 GLU 67 -7.433 1.478 2.849 557 HG2 GLU 67 HG2 GLU 67 -5.716 0.223 0.727 558 HG3 GLU 67 HG3 GLU 67 -7.205 -0.505 1.331 559 H GLY 68 H GLY 68 -4.876 2.458 4.923 560 HA2 GLY 68 HA2 GLY 68 -6.829 4.309 5.754 561 HA3 GLY 68 HA3 GLY 68 -5.375 3.870 6.640 562 H ALA 69 H ALA 69 -3.406 4.682 4.979 563 HA ALA 69 HA ALA 69 -3.316 7.480 5.444 564 HB1 ALA 69 HB1 ALA 69 -1.170 7.433 4.269 565 HB2 ALA 69 HB2 ALA 69 -1.516 5.803 3.693 566 HB3 ALA 69 HB3 ALA 69 -1.291 6.098 5.415 567 H GLN 70 H GLN 70 -4.030 5.521 2.630 568 HA GLN 70 HA GLN 70 -3.989 7.623 0.720 569 HB2 GLN 70 HB2 GLN 70 -5.030 4.852 0.749 570 HB3 GLN 70 HB3 GLN 70 -5.766 5.955 -0.404 571 HG2 GLN 70 HG2 GLN 70 -3.419 6.494 -1.174 572 HG3 GLN 70 HG3 GLN 70 -2.897 5.109 -0.214 573 HE21 GLN 70 HE21 GLN 70 -4.791 6.151 -2.947 574 HE22 GLN 70 HE22 GLN 70 -4.891 4.602 -3.713 575 H GLY 71 H GLY 71 -6.533 6.224 2.703 576 HA2 GLY 71 HA2 GLY 71 -8.671 7.727 1.591 577 HA3 GLY 71 HA3 GLY 71 -8.683 6.935 3.159 578 H ALA 72 H ALA 72 -6.566 8.263 4.328 579 HA ALA 72 HA ALA 72 -7.906 10.535 5.370 580 HB1 ALA 72 HB1 ALA 72 -6.349 9.181 6.712 581 HB2 ALA 72 HB2 ALA 72 -5.897 10.884 6.707 582 HB3 ALA 72 HB3 ALA 72 -5.013 9.735 5.705 583 H LEU 73 H LEU 73 -4.904 10.224 3.504 584 HA LEU 73 HA LEU 73 -4.464 12.955 3.151 585 HB2 LEU 73 HB2 LEU 73 -2.758 11.238 2.838 586 HB3 LEU 73 HB3 LEU 73 -3.600 10.652 1.417 587 HG LEU 73 HG LEU 73 -3.228 12.896 0.371 588 HD11 LEU 73 HD11 LEU 73 -2.868 14.207 2.369 589 HD12 LEU 73 HD12 LEU 73 -1.460 14.307 1.313 590 HD13 LEU 73 HD13 LEU 73 -1.416 13.279 2.745 591 HD21 LEU 73 HD21 LEU 73 -0.818 11.283 1.170 592 HD22 LEU 73 HD22 LEU 73 -0.864 12.461 -0.139 593 HD23 LEU 73 HD23 LEU 73 -1.865 11.008 -0.224 594 H GLU 74 H GLU 74 -6.260 10.619 1.187 595 HA GLU 74 HA GLU 74 -6.660 12.137 -1.106 596 HB2 GLU 74 HB2 GLU 74 -7.554 9.697 -0.094 597 HB3 GLU 74 HB3 GLU 74 -9.025 10.623 -0.349 598 HG2 GLU 74 HG2 GLU 74 -6.931 10.333 -2.478 599 HG3 GLU 74 HG3 GLU 74 -8.205 9.139 -2.250 600 H ARG 75 H ARG 75 -8.718 11.911 1.775 601 HA ARG 75 HA ARG 75 -10.630 13.809 1.001 602 HB2 ARG 75 HB2 ARG 75 -9.686 13.109 3.782 603 HB3 ARG 75 HB3 ARG 75 -11.160 13.989 3.407 604 HG2 ARG 75 HG2 ARG 75 -12.023 12.045 2.215 605 HG3 ARG 75 HG3 ARG 75 -10.537 11.164 2.582 606 HD2 ARG 75 HD2 ARG 75 -11.001 11.372 4.969 607 HD3 ARG 75 HD3 ARG 75 -12.470 12.274 4.606 608 HE ARG 75 HE ARG 75 -12.150 9.546 3.587 609 HH11 ARG 75 HH11 ARG 75 -13.831 11.825 5.676 610 HH12 ARG 75 HH12 ARG 75 -15.145 10.746 5.992 611 HH21 ARG 75 HH21 ARG 75 -13.885 8.132 4.009 612 HH22 ARG 75 HH22 ARG 75 -15.179 8.641 5.047 613 H GLU 76 H GLU 76 -7.548 14.200 2.642 614 HA GLU 76 HA GLU 76 -7.883 16.964 3.214 615 HB2 GLU 76 HB2 GLU 76 -5.373 15.297 3.042 616 HB3 GLU 76 HB3 GLU 76 -5.427 16.952 3.632 617 HG2 GLU 76 HG2 GLU 76 -6.969 14.667 4.845 618 HG3 GLU 76 HG3 GLU 76 -5.402 15.231 5.421 619 H LEU 77 H LEU 77 -5.877 15.335 0.703 620 HA LEU 77 HA LEU 77 -5.164 17.717 -0.541 621 HB2 LEU 77 HB2 LEU 77 -4.533 16.340 -2.520 622 HB3 LEU 77 HB3 LEU 77 -3.842 15.802 -1.010 623 HG LEU 77 HG LEU 77 -5.685 14.025 -0.981 624 HD11 LEU 77 HD11 LEU 77 -7.145 15.005 -2.666 625 HD12 LEU 77 HD12 LEU 77 -6.606 13.398 -3.150 626 HD13 LEU 77 HD13 LEU 77 -5.878 14.829 -3.881 627 HD21 LEU 77 HD21 LEU 77 -3.616 13.928 -3.174 628 HD22 LEU 77 HD22 LEU 77 -4.388 12.543 -2.397 629 HD23 LEU 77 HD23 LEU 77 -3.315 13.593 -1.472 630 H LYS 78 H LYS 78 -8.161 16.115 -0.616 631 HA LYS 78 HA LYS 78 -8.982 17.033 -3.194 632 HB2 LYS 78 HB2 LYS 78 -10.318 15.731 -0.883 633 HB3 LYS 78 HB3 LYS 78 -11.320 16.517 -2.109 634 HG2 LYS 78 HG2 LYS 78 -9.264 14.389 -2.657 635 HG3 LYS 78 HG3 LYS 78 -10.996 14.091 -2.486 636 HD2 LYS 78 HD2 LYS 78 -11.448 15.504 -4.413 637 HD3 LYS 78 HD3 LYS 78 -9.737 15.907 -4.548 638 HE2 LYS 78 HE2 LYS 78 -10.502 14.164 -6.148 639 HE3 LYS 78 HE3 LYS 78 -9.179 13.652 -5.100 640 HZ1 LYS 78 HZ1 LYS 78 -10.634 12.384 -3.789 641 HZ2 LYS 78 HZ2 LYS 78 -11.030 12.016 -5.393 642 HZ3 LYS 78 HZ3 LYS 78 -12.017 13.057 -4.501 643 H ARG 79 H ARG 79 -8.644 18.406 -0.132 644 HA ARG 79 HA ARG 79 -10.739 20.358 -0.367 645 HB2 ARG 79 HB2 ARG 79 -8.421 20.125 1.549 646 HB3 ARG 79 HB3 ARG 79 -9.738 21.279 1.697 647 HG2 ARG 79 HG2 ARG 79 -11.320 19.561 2.105 648 HG3 ARG 79 HG3 ARG 79 -10.174 18.309 1.629 649 HD2 ARG 79 HD2 ARG 79 -10.479 18.488 4.080 650 HD3 ARG 79 HD3 ARG 79 -8.816 18.740 3.554 651 HE ARG 79 HE ARG 79 -10.394 21.141 3.886 652 HH11 ARG 79 HH11 ARG 79 -8.197 18.850 5.389 653 HH12 ARG 79 HH12 ARG 79 -7.599 20.000 6.537 654 HH21 ARG 79 HH21 ARG 79 -9.612 22.653 5.425 655 HH22 ARG 79 HH22 ARG 79 -8.398 22.166 6.561 656 H THR 80 H THR 80 -7.591 20.047 -1.541 657 HA THR 80 HA THR 80 -7.012 22.867 -1.684 658 HB THR 80 HB THR 80 -5.620 20.618 -3.149 659 HG1 THR 80 HG1 THR 80 -4.949 19.961 -1.272 660 HG21 THR 80 HG21 THR 80 -5.020 22.907 -3.832 661 HG22 THR 80 HG22 THR 80 -3.678 22.112 -3.012 662 HG23 THR 80 HG23 THR 80 -4.650 23.306 -2.154 663 H ASP 81 H ASP 81 -7.285 24.189 -3.489 664 HA ASP 81 HA ASP 81 -9.261 23.825 -5.309 665 HB2 ASP 81 HB2 ASP 81 -6.695 25.359 -5.751 666 HB3 ASP 81 HB3 ASP 81 -8.206 25.603 -6.617 667 H LEU 82 H LEU 82 -9.531 22.787 -7.250 668 HA LEU 82 HA LEU 82 -7.574 21.007 -8.122 669 HB2 LEU 82 HB2 LEU 82 -9.176 20.822 -10.171 670 HB3 LEU 82 HB3 LEU 82 -9.623 20.162 -8.621 671 HG LEU 82 HG LEU 82 -11.397 21.383 -10.018 672 HD11 LEU 82 HD11 LEU 82 -12.563 22.219 -8.072 673 HD12 LEU 82 HD12 LEU 82 -11.084 22.164 -7.126 674 HD13 LEU 82 HD13 LEU 82 -11.790 20.675 -7.741 675 HD21 LEU 82 HD21 LEU 82 -11.596 23.805 -9.657 676 HD22 LEU 82 HD22 LEU 82 -10.154 23.390 -10.583 677 HD23 LEU 82 HD23 LEU 82 -10.012 23.815 -8.882 678 H ASN 83 H ASN 83 -5.849 22.439 -8.348 679 HA ASN 83 HA ASN 83 -5.745 24.420 -10.458 680 HB2 ASN 83 HB2 ASN 83 -4.477 24.332 -8.248 681 HB3 ASN 83 HB3 ASN 83 -3.381 23.271 -9.143 682 HD21 ASN 83 HD21 ASN 83 -1.789 24.547 -9.404 683 HD22 ASN 83 HD22 ASN 83 -1.837 26.048 -10.278 684 H ILE 84 H ILE 84 -4.038 24.271 -12.131 685 HA ILE 84 HA ILE 84 -4.609 22.096 -13.796 686 HB ILE 84 HB ILE 84 -2.475 24.222 -13.949 687 HG12 ILE 84 HG12 ILE 84 -3.777 24.893 -15.976 688 HG13 ILE 84 HG13 ILE 84 -4.922 23.606 -15.634 689 HG21 ILE 84 HG21 ILE 84 -1.485 22.227 -14.937 690 HG22 ILE 84 HG22 ILE 84 -1.858 23.422 -16.179 691 HG23 ILE 84 HG23 ILE 84 -2.902 22.018 -15.965 692 HD11 ILE 84 HD11 ILE 84 -5.534 24.702 -13.547 693 HD12 ILE 84 HD12 ILE 84 -5.748 25.785 -14.923 694 HD13 ILE 84 HD13 ILE 84 -4.353 25.973 -13.861 695 H LEU 85 H LEU 85 -1.572 22.773 -12.012 696 HA LEU 85 HA LEU 85 -0.363 20.338 -12.812 697 HB2 LEU 85 HB2 LEU 85 0.968 22.284 -12.217 698 HB3 LEU 85 HB3 LEU 85 0.299 22.280 -10.598 699 HG LEU 85 HG LEU 85 1.398 20.079 -10.197 700 HD11 LEU 85 HD11 LEU 85 1.570 19.341 -12.516 701 HD12 LEU 85 HD12 LEU 85 3.142 19.331 -11.717 702 HD13 LEU 85 HD13 LEU 85 2.734 20.625 -12.840 703 HD21 LEU 85 HD21 LEU 85 3.653 20.990 -9.953 704 HD22 LEU 85 HD22 LEU 85 2.432 22.159 -9.450 705 HD23 LEU 85 HD23 LEU 85 3.229 22.332 -11.012 706 H GLU 86 H GLU 86 -1.749 21.485 -9.740 707 HA GLU 86 HA GLU 86 -1.380 19.169 -8.290 708 HB2 GLU 86 HB2 GLU 86 -3.568 21.230 -8.029 709 HB3 GLU 86 HB3 GLU 86 -3.285 19.949 -6.862 710 HG2 GLU 86 HG2 GLU 86 -2.118 21.617 -5.863 711 HG3 GLU 86 HG3 GLU 86 -0.842 20.948 -6.877 712 H ARG 87 H ARG 87 -4.214 20.021 -10.315 713 HA ARG 87 HA ARG 87 -5.720 17.767 -9.567 714 HB2 ARG 87 HB2 ARG 87 -6.620 19.790 -10.721 715 HB3 ARG 87 HB3 ARG 87 -5.848 19.237 -12.198 716 HG2 ARG 87 HG2 ARG 87 -7.213 17.235 -12.190 717 HG3 ARG 87 HG3 ARG 87 -7.959 17.734 -10.671 718 HD2 ARG 87 HD2 ARG 87 -8.733 19.807 -11.837 719 HD3 ARG 87 HD3 ARG 87 -8.152 19.104 -13.345 720 HE ARG 87 HE ARG 87 -9.774 17.192 -12.300 721 HH11 ARG 87 HH11 ARG 87 -10.185 20.573 -13.131 722 HH12 ARG 87 HH12 ARG 87 -11.870 20.421 -13.470 723 HH21 ARG 87 HH21 ARG 87 -12.008 16.978 -12.739 724 HH22 ARG 87 HH22 ARG 87 -12.920 18.354 -13.239 725 H PHE 88 H PHE 88 -3.439 18.324 -12.198 726 HA PHE 88 HA PHE 88 -3.756 15.836 -13.476 727 HB2 PHE 88 HB2 PHE 88 -2.673 17.594 -14.672 728 HB3 PHE 88 HB3 PHE 88 -1.474 17.813 -13.403 729 HD1 PHE 88 HD1 PHE 88 -2.691 15.252 -15.819 730 HD2 PHE 88 HD2 PHE 88 0.595 16.841 -13.633 731 HE1 PHE 88 HE1 PHE 88 -1.172 13.713 -16.981 732 HE2 PHE 88 HE2 PHE 88 2.118 15.303 -14.795 733 HZ PHE 88 HZ PHE 88 1.234 13.739 -16.471 734 H ASN 89 H ASN 89 -1.518 16.941 -11.012 735 HA ASN 89 HA ASN 89 -0.016 14.570 -10.739 736 HB2 ASN 89 HB2 ASN 89 -0.583 16.806 -8.796 737 HB3 ASN 89 HB3 ASN 89 0.409 15.423 -8.351 738 HD21 ASN 89 HD21 ASN 89 2.203 16.757 -8.050 739 HD22 ASN 89 HD22 ASN 89 3.079 17.420 -9.384 740 H TYR 90 H TYR 90 -2.848 15.702 -8.959 741 HA TYR 90 HA TYR 90 -3.246 13.521 -7.286 742 HB2 TYR 90 HB2 TYR 90 -5.256 15.359 -8.597 743 HB3 TYR 90 HB3 TYR 90 -5.696 14.171 -7.381 744 HD1 TYR 90 HD1 TYR 90 -2.477 15.643 -6.807 745 HD2 TYR 90 HD2 TYR 90 -6.645 16.246 -6.244 746 HE1 TYR 90 HE1 TYR 90 -1.992 17.291 -5.058 747 HE2 TYR 90 HE2 TYR 90 -6.177 17.896 -4.496 748 HH TYR 90 HH TYR 90 -3.124 19.251 -4.015 749 H GLU 91 H GLU 91 -4.526 14.074 -10.569 750 HA GLU 91 HA GLU 91 -6.022 11.752 -10.851 751 HB2 GLU 91 HB2 GLU 91 -5.711 13.936 -12.316 752 HB3 GLU 91 HB3 GLU 91 -4.537 12.943 -13.159 753 HG2 GLU 91 HG2 GLU 91 -7.460 12.307 -12.800 754 HG3 GLU 91 HG3 GLU 91 -6.700 12.909 -14.269 755 H GLU 92 H GLU 92 -2.615 12.408 -11.754 756 HA GLU 92 HA GLU 92 -2.204 9.833 -12.845 757 HB2 GLU 92 HB2 GLU 92 -0.840 11.801 -13.463 758 HB3 GLU 92 HB3 GLU 92 -0.134 11.798 -11.851 759 HG2 GLU 92 HG2 GLU 92 0.944 9.715 -12.240 760 HG3 GLU 92 HG3 GLU 92 0.061 9.471 -13.744 761 H ALA 93 H ALA 93 -1.661 11.207 -9.618 762 HA ALA 93 HA ALA 93 -0.198 9.027 -8.574 763 HB1 ALA 93 HB1 ALA 93 -0.245 11.231 -7.498 764 HB2 ALA 93 HB2 ALA 93 -0.768 9.965 -6.389 765 HB3 ALA 93 HB3 ALA 93 -1.960 11.022 -7.144 766 H GLN 94 H GLN 94 -3.629 9.873 -8.633 767 HA GLN 94 HA GLN 94 -4.542 7.623 -7.213 768 HB2 GLN 94 HB2 GLN 94 -5.797 9.660 -8.982 769 HB3 GLN 94 HB3 GLN 94 -6.703 8.191 -8.642 770 HG2 GLN 94 HG2 GLN 94 -5.518 9.886 -6.469 771 HG3 GLN 94 HG3 GLN 94 -7.129 10.168 -7.129 772 HE21 GLN 94 HE21 GLN 94 -8.028 9.733 -5.083 773 HE22 GLN 94 HE22 GLN 94 -8.177 8.108 -4.509 774 H THR 95 H THR 95 -3.874 8.161 -10.603 775 HA THR 95 HA THR 95 -4.954 5.768 -11.569 776 HB THR 95 HB THR 95 -2.562 7.294 -12.637 777 HG1 THR 95 HG1 THR 95 -4.653 8.434 -12.492 778 HG21 THR 95 HG21 THR 95 -2.695 4.989 -13.506 779 HG22 THR 95 HG22 THR 95 -3.041 6.179 -14.762 780 HG23 THR 95 HG23 THR 95 -4.360 5.281 -14.011 781 H LEU 96 H LEU 96 -1.624 6.516 -10.380 782 HA LEU 96 HA LEU 96 -0.665 3.916 -10.950 783 HB2 LEU 96 HB2 LEU 96 0.439 6.021 -9.096 784 HB3 LEU 96 HB3 LEU 96 1.289 4.586 -9.626 785 HG LEU 96 HG LEU 96 0.410 6.863 -11.405 786 HD11 LEU 96 HD11 LEU 96 3.145 6.055 -10.438 787 HD12 LEU 96 HD12 LEU 96 2.242 7.486 -9.937 788 HD13 LEU 96 HD13 LEU 96 2.798 7.332 -11.603 789 HD21 LEU 96 HD21 LEU 96 0.381 4.750 -12.605 790 HD22 LEU 96 HD22 LEU 96 2.006 4.377 -12.028 791 HD23 LEU 96 HD23 LEU 96 1.751 5.732 -13.129 792 H SER 97 H SER 97 -1.993 5.483 -8.078 793 HA SER 97 HA SER 97 -1.309 3.456 -6.278 794 HB2 SER 97 HB2 SER 97 -3.283 4.395 -4.921 795 HB3 SER 97 HB3 SER 97 -1.942 5.480 -5.283 796 HG SER 97 HG SER 97 -3.144 6.510 -6.755 797 H LYS 98 H LYS 98 -4.257 3.912 -8.274 798 HA LYS 98 HA LYS 98 -5.664 1.696 -7.346 799 HB2 LYS 98 HB2 LYS 98 -5.632 3.084 -10.027 800 HB3 LYS 98 HB3 LYS 98 -6.771 1.816 -9.616 801 HG2 LYS 98 HG2 LYS 98 -7.668 3.226 -7.814 802 HG3 LYS 98 HG3 LYS 98 -6.528 4.502 -8.263 803 HD2 LYS 98 HD2 LYS 98 -7.515 4.556 -10.523 804 HD3 LYS 98 HD3 LYS 98 -8.684 3.335 -10.029 805 HE2 LYS 98 HE2 LYS 98 -9.664 5.560 -9.960 806 HE3 LYS 98 HE3 LYS 98 -9.568 4.873 -8.342 807 HZ1 LYS 98 HZ1 LYS 98 -7.563 6.748 -9.457 808 HZ2 LYS 98 HZ2 LYS 98 -7.696 6.232 -7.845 809 HZ3 LYS 98 HZ3 LYS 98 -8.878 7.238 -8.518 810 H ILE 99 H ILE 99 -3.091 2.034 -9.745 811 HA ILE 99 HA ILE 99 -3.336 -0.559 -10.843 812 HB ILE 99 HB ILE 99 -0.895 1.222 -10.678 813 HG12 ILE 99 HG12 ILE 99 -2.829 0.762 -12.959 814 HG13 ILE 99 HG13 ILE 99 -2.832 2.176 -11.912 815 HG21 ILE 99 HG21 ILE 99 -1.405 -1.209 -12.391 816 HG22 ILE 99 HG22 ILE 99 -0.300 -1.125 -11.022 817 HG23 ILE 99 HG23 ILE 99 0.020 -0.169 -12.474 818 HD11 ILE 99 HD11 ILE 99 -1.746 2.652 -14.025 819 HD12 ILE 99 HD12 ILE 99 -0.600 1.341 -13.745 820 HD13 ILE 99 HD13 ILE 99 -0.594 2.754 -12.695 821 H LEU 100 H LEU 100 -1.288 0.815 -8.313 822 HA LEU 100 HA LEU 100 0.153 -1.490 -7.669 823 HB2 LEU 100 HB2 LEU 100 -0.619 0.830 -5.902 824 HB3 LEU 100 HB3 LEU 100 0.557 -0.395 -5.473 825 HG LEU 100 HG LEU 100 0.803 1.575 -7.749 826 HD11 LEU 100 HD11 LEU 100 2.276 1.386 -5.126 827 HD12 LEU 100 HD12 LEU 100 1.076 2.605 -5.559 828 HD13 LEU 100 HD13 LEU 100 2.612 2.533 -6.422 829 HD21 LEU 100 HD21 LEU 100 1.873 -0.526 -8.327 830 HD22 LEU 100 HD22 LEU 100 2.712 -0.551 -6.775 831 HD23 LEU 100 HD23 LEU 100 3.098 0.693 -7.964 832 H LEU 101 H LEU 101 -2.824 -0.199 -6.213 833 HA LEU 101 HA LEU 101 -3.211 -2.162 -4.276 834 HB2 LEU 101 HB2 LEU 101 -5.291 -0.673 -5.872 835 HB3 LEU 101 HB3 LEU 101 -5.609 -1.574 -4.404 836 HG LEU 101 HG LEU 101 -3.829 0.857 -4.584 837 HD11 LEU 101 HD11 LEU 101 -6.635 0.564 -3.526 838 HD12 LEU 101 HD12 LEU 101 -6.159 1.422 -4.992 839 HD13 LEU 101 HD13 LEU 101 -5.633 2.011 -3.413 840 HD21 LEU 101 HD21 LEU 101 -3.930 0.799 -2.130 841 HD22 LEU 101 HD22 LEU 101 -3.175 -0.652 -2.788 842 HD23 LEU 101 HD23 LEU 101 -4.839 -0.711 -2.208 843 H LYS 102 H LYS 102 -4.167 -2.134 -7.675 844 HA LYS 102 HA LYS 102 -5.550 -4.604 -7.563 845 HB2 LYS 102 HB2 LYS 102 -4.427 -3.000 -9.838 846 HB3 LYS 102 HB3 LYS 102 -5.126 -4.588 -10.109 847 HG2 LYS 102 HG2 LYS 102 -7.212 -3.719 -8.968 848 HG3 LYS 102 HG3 LYS 102 -6.485 -2.115 -9.078 849 HD2 LYS 102 HD2 LYS 102 -6.963 -3.943 -11.433 850 HD3 LYS 102 HD3 LYS 102 -8.047 -2.642 -10.945 851 HE2 LYS 102 HE2 LYS 102 -5.152 -2.276 -11.708 852 HE3 LYS 102 HE3 LYS 102 -6.515 -2.014 -12.792 853 HZ1 LYS 102 HZ1 LYS 102 -5.792 0.053 -11.852 854 HZ2 LYS 102 HZ2 LYS 102 -5.951 -0.546 -10.279 855 HZ3 LYS 102 HZ3 LYS 102 -7.321 -0.322 -11.241 856 H ASP 103 H ASP 103 -2.101 -3.793 -8.037 857 HA ASP 103 HA ASP 103 -1.481 -6.416 -8.986 858 HB2 ASP 103 HB2 ASP 103 -0.190 -4.086 -9.269 859 HB3 ASP 103 HB3 ASP 103 0.609 -4.648 -7.807 860 H LEU 104 H LEU 104 -1.397 -4.690 -5.819 861 HA LEU 104 HA LEU 104 -0.141 -6.702 -4.351 862 HB2 LEU 104 HB2 LEU 104 -2.001 -4.430 -3.755 863 HB3 LEU 104 HB3 LEU 104 -1.745 -5.632 -2.513 864 HG LEU 104 HG LEU 104 -0.353 -3.647 -2.178 865 HD11 LEU 104 HD11 LEU 104 1.160 -6.151 -2.846 866 HD12 LEU 104 HD12 LEU 104 0.476 -5.683 -1.289 867 HD13 LEU 104 HD13 LEU 104 1.830 -4.779 -1.964 868 HD21 LEU 104 HD21 LEU 104 1.522 -3.169 -3.683 869 HD22 LEU 104 HD22 LEU 104 -0.040 -2.946 -4.472 870 HD23 LEU 104 HD23 LEU 104 0.916 -4.389 -4.805 871 H LYS 105 H LYS 105 -3.582 -5.977 -4.924 872 HA LYS 105 HA LYS 105 -4.696 -8.077 -3.528 873 HB2 LYS 105 HB2 LYS 105 -5.761 -6.007 -4.640 874 HB3 LYS 105 HB3 LYS 105 -5.876 -7.018 -6.074 875 HG2 LYS 105 HG2 LYS 105 -7.948 -7.078 -4.912 876 HG3 LYS 105 HG3 LYS 105 -7.166 -8.653 -4.758 877 HD2 LYS 105 HD2 LYS 105 -6.393 -8.062 -2.514 878 HD3 LYS 105 HD3 LYS 105 -7.129 -6.467 -2.673 879 HE2 LYS 105 HE2 LYS 105 -8.596 -9.101 -2.720 880 HE3 LYS 105 HE3 LYS 105 -8.509 -8.004 -1.344 881 HZ1 LYS 105 HZ1 LYS 105 -9.697 -6.346 -2.582 882 HZ2 LYS 105 HZ2 LYS 105 -10.576 -7.787 -2.651 883 HZ3 LYS 105 HZ3 LYS 105 -9.670 -7.290 -3.980 884 H GLU 106 H GLU 106 -3.352 -8.028 -6.800 885 HA GLU 106 HA GLU 106 -4.329 -10.576 -7.570 886 HB2 GLU 106 HB2 GLU 106 -2.112 -8.802 -8.523 887 HB3 GLU 106 HB3 GLU 106 -2.232 -10.450 -9.121 888 HG2 GLU 106 HG2 GLU 106 -4.448 -8.429 -9.284 889 HG3 GLU 106 HG3 GLU 106 -3.292 -8.750 -10.576 890 H THR 107 H THR 107 -1.459 -9.451 -5.896 891 HA THR 107 HA THR 107 -0.039 -11.883 -5.882 892 HB THR 107 HB THR 107 0.038 -9.626 -3.853 893 HG1 THR 107 HG1 THR 107 0.431 -8.866 -5.992 894 HG21 THR 107 HG21 THR 107 2.306 -10.375 -3.391 895 HG22 THR 107 HG22 THR 107 2.174 -11.629 -4.617 896 HG23 THR 107 HG23 THR 107 1.191 -11.721 -3.157 897 H GLU 108 H GLU 108 -2.207 -10.347 -3.510 898 HA GLU 108 HA GLU 108 -2.322 -12.216 -1.530 899 HB2 GLU 108 HB2 GLU 108 -3.518 -10.017 -1.594 900 HB3 GLU 108 HB3 GLU 108 -4.721 -10.751 -2.645 901 HG2 GLU 108 HG2 GLU 108 -5.006 -12.466 -0.763 902 HG3 GLU 108 HG3 GLU 108 -4.162 -11.295 0.240 903 H GLN 109 H GLN 109 -4.292 -12.195 -4.481 904 HA GLN 109 HA GLN 109 -5.746 -14.525 -3.950 905 HB2 GLN 109 HB2 GLN 109 -4.994 -13.243 -6.570 906 HB3 GLN 109 HB3 GLN 109 -6.115 -14.590 -6.433 907 HG2 GLN 109 HG2 GLN 109 -6.521 -12.014 -4.954 908 HG3 GLN 109 HG3 GLN 109 -7.106 -12.258 -6.602 909 HE21 GLN 109 HE21 GLN 109 -9.235 -12.053 -6.015 910 HE22 GLN 109 HE22 GLN 109 -10.086 -13.239 -5.085 911 H LYS 110 H LYS 110 -2.579 -14.114 -5.479 912 HA LYS 110 HA LYS 110 -2.377 -16.749 -6.511 913 HB2 LYS 110 HB2 LYS 110 -0.030 -15.058 -5.666 914 HB3 LYS 110 HB3 LYS 110 -0.066 -16.311 -6.895 915 HG2 LYS 110 HG2 LYS 110 -1.372 -13.603 -7.030 916 HG3 LYS 110 HG3 LYS 110 0.046 -14.143 -7.925 917 HD2 LYS 110 HD2 LYS 110 -1.303 -15.757 -9.135 918 HD3 LYS 110 HD3 LYS 110 -2.724 -15.315 -8.183 919 HE2 LYS 110 HE2 LYS 110 -2.571 -13.021 -9.058 920 HE3 LYS 110 HE3 LYS 110 -1.188 -13.496 -10.039 921 HZ1 LYS 110 HZ1 LYS 110 -3.170 -13.514 -11.361 922 HZ2 LYS 110 HZ2 LYS 110 -3.958 -14.524 -10.265 923 HZ3 LYS 110 HZ3 LYS 110 -2.651 -15.111 -11.158 924 H VAL 111 H VAL 111 -1.138 -15.307 -3.520 925 HA VAL 111 HA VAL 111 0.118 -17.676 -2.622 926 HB VAL 111 HB VAL 111 0.791 -15.462 -1.774 927 HG11 VAL 111 HG11 VAL 111 -0.528 -14.290 -0.088 928 HG12 VAL 111 HG12 VAL 111 -1.834 -15.454 -0.300 929 HG13 VAL 111 HG13 VAL 111 -1.379 -14.387 -1.629 930 HG21 VAL 111 HG21 VAL 111 1.067 -16.054 0.566 931 HG22 VAL 111 HG22 VAL 111 1.310 -17.463 -0.471 932 HG23 VAL 111 HG23 VAL 111 -0.204 -17.261 0.408 933 H LYS 112 H LYS 112 -3.070 -16.278 -2.020 934 HA LYS 112 HA LYS 112 -3.952 -18.330 -0.274 935 HB2 LYS 112 HB2 LYS 112 -5.398 -16.299 -1.962 936 HB3 LYS 112 HB3 LYS 112 -6.255 -17.462 -0.961 937 HG2 LYS 112 HG2 LYS 112 -5.524 -16.505 1.008 938 HG3 LYS 112 HG3 LYS 112 -4.134 -15.741 0.239 939 HD2 LYS 112 HD2 LYS 112 -5.868 -14.098 0.845 940 HD3 LYS 112 HD3 LYS 112 -5.584 -14.181 -0.894 941 HE2 LYS 112 HE2 LYS 112 -7.567 -15.395 -1.261 942 HE3 LYS 112 HE3 LYS 112 -7.818 -15.659 0.469 943 HZ1 LYS 112 HZ1 LYS 112 -9.228 -13.898 -0.519 944 HZ2 LYS 112 HZ2 LYS 112 -7.840 -12.989 -0.840 945 HZ3 LYS 112 HZ3 LYS 112 -8.268 -13.346 0.754 946 H ASP 113 H ASP 113 -3.426 -18.257 -3.634 947 HA ASP 113 HA ASP 113 -5.342 -20.320 -4.246 948 HB2 ASP 113 HB2 ASP 113 -4.724 -18.546 -5.897 949 HB3 ASP 113 HB3 ASP 113 -3.119 -19.258 -5.995 950 H ILE 114 H ILE 114 -2.026 -20.177 -3.176 951 HA ILE 114 HA ILE 114 -1.338 -22.835 -4.070 952 HB ILE 114 HB ILE 114 -0.003 -20.680 -2.558 953 HG12 ILE 114 HG12 ILE 114 1.963 -21.526 -3.764 954 HG13 ILE 114 HG13 ILE 114 1.033 -22.910 -4.315 955 HG21 ILE 114 HG21 ILE 114 0.586 -23.556 -1.878 956 HG22 ILE 114 HG22 ILE 114 0.012 -22.301 -0.778 957 HG23 ILE 114 HG23 ILE 114 1.629 -22.193 -1.473 958 HD11 ILE 114 HD11 ILE 114 -0.399 -21.455 -5.608 959 HD12 ILE 114 HD12 ILE 114 1.297 -21.211 -6.032 960 HD13 ILE 114 HD13 ILE 114 0.467 -20.041 -5.006 961 H GLN 115 H GLN 115 -2.008 -24.575 -3.257 962 HA GLN 115 HA GLN 115 -3.401 -24.697 -0.715 963 HB2 GLN 115 HB2 GLN 115 -3.695 -27.114 -1.223 964 HB3 GLN 115 HB3 GLN 115 -4.274 -26.063 -2.506 965 HG2 GLN 115 HG2 GLN 115 -2.055 -26.455 -3.641 966 HG3 GLN 115 HG3 GLN 115 -1.779 -27.721 -2.448 967 HE21 GLN 115 HE21 GLN 115 -3.635 -26.724 -5.182 968 HE22 GLN 115 HE22 GLN 115 -4.338 -28.264 -5.535 969 H THR 116 H THR 116 -2.489 -25.125 1.219 970 HA THR 116 HA THR 116 0.140 -26.409 1.234 971 HB THR 116 HB THR 116 0.543 -24.939 3.288 972 HG1 THR 116 HG1 THR 116 -0.952 -22.926 2.167 973 HG21 THR 116 HG21 THR 116 0.485 -23.791 0.497 974 HG22 THR 116 HG22 THR 116 1.799 -24.717 1.222 975 HG23 THR 116 HG23 THR 116 1.400 -23.114 1.845 976 H GLN 117 H GLN 117 0.681 -26.974 3.585 977 HA GLN 117 HA GLN 117 0.368 -28.420 5.321 978 HB2 GLN 117 HB2 GLN 117 -1.096 -26.490 6.054 979 HB3 GLN 117 HB3 GLN 117 -2.466 -27.377 5.406 980 HG2 GLN 117 HG2 GLN 117 -2.010 -29.206 6.968 981 HG3 GLN 117 HG3 GLN 117 -0.655 -28.294 7.631 982 HE21 GLN 117 HE21 GLN 117 -1.525 -28.170 9.673 983 HE22 GLN 117 HE22 GLN 117 -2.904 -27.201 10.045 Start of MODEL 7 1 H GLN 1 H1 GLN 1 33.161 22.224 -5.954 2 HA GLN 1 HA GLN 1 32.883 20.925 -7.949 3 HB2 GLN 1 HB2 GLN 1 30.303 21.527 -6.489 4 HB3 GLN 1 HB3 GLN 1 30.544 20.141 -7.539 5 HG2 GLN 1 HG2 GLN 1 32.166 20.694 -5.070 6 HG3 GLN 1 HG3 GLN 1 30.755 19.640 -5.123 7 HE21 GLN 1 HE21 GLN 1 30.900 17.670 -6.135 8 HE22 GLN 1 HE22 GLN 1 32.410 16.962 -6.587 9 H GLU 2 H GLU 2 31.271 20.444 -9.740 10 HA GLU 2 HA GLU 2 30.841 22.934 -11.195 11 HB2 GLU 2 HB2 GLU 2 32.104 21.177 -12.343 12 HB3 GLU 2 HB3 GLU 2 30.747 20.072 -12.163 13 HG2 GLU 2 HG2 GLU 2 29.376 21.608 -13.544 14 HG3 GLU 2 HG3 GLU 2 30.813 22.596 -13.802 15 H HIS 3 H HIS 3 29.024 19.866 -11.211 16 HA HIS 3 HA HIS 3 26.592 21.503 -11.185 17 HB2 HIS 3 HB2 HIS 3 26.999 20.272 -13.300 18 HB3 HIS 3 HB3 HIS 3 26.980 18.761 -12.403 19 HD1 HIS 3 HD1 HIS 3 24.753 21.374 -13.835 20 HD2 HIS 3 HD2 HIS 3 24.405 17.897 -11.587 21 HE1 HIS 3 HE1 HIS 3 22.324 20.768 -13.899 22 HE2 HIS 3 HE2 HIS 3 22.180 18.559 -12.725 23 H LYS 4 H LYS 4 27.305 21.178 -8.758 24 HA LYS 4 HA LYS 4 26.724 19.228 -7.139 25 HB2 LYS 4 HB2 LYS 4 25.272 21.865 -6.927 26 HB3 LYS 4 HB3 LYS 4 25.417 20.684 -5.634 27 HG2 LYS 4 HG2 LYS 4 27.866 21.820 -6.926 28 HG3 LYS 4 HG3 LYS 4 27.008 22.730 -5.682 29 HD2 LYS 4 HD2 LYS 4 28.014 19.910 -5.348 30 HD3 LYS 4 HD3 LYS 4 28.883 21.349 -4.809 31 HE2 LYS 4 HE2 LYS 4 26.962 21.938 -3.374 32 HE3 LYS 4 HE3 LYS 4 26.149 20.460 -3.877 33 HZ1 LYS 4 HZ1 LYS 4 27.236 20.195 -1.751 34 HZ2 LYS 4 HZ2 LYS 4 28.728 20.605 -2.422 35 HZ3 LYS 4 HZ3 LYS 4 27.949 19.185 -2.903 36 HA PRO 5 HA PRO 5 23.135 17.176 -8.638 37 HB2 PRO 5 HB2 PRO 5 22.824 15.514 -6.489 38 HB3 PRO 5 HB3 PRO 5 24.029 15.268 -7.761 39 HG2 PRO 5 HG2 PRO 5 24.356 16.592 -5.085 40 HG3 PRO 5 HG3 PRO 5 25.393 15.368 -5.855 41 HD2 PRO 5 HD2 PRO 5 26.046 17.922 -5.885 42 HD3 PRO 5 HD3 PRO 5 26.293 16.919 -7.333 43 H LYS 6 H LYS 6 20.991 17.041 -8.351 44 HA LYS 6 HA LYS 6 19.739 18.004 -5.916 45 HB2 LYS 6 HB2 LYS 6 18.174 19.376 -7.216 46 HB3 LYS 6 HB3 LYS 6 19.827 19.947 -7.396 47 HG2 LYS 6 HG2 LYS 6 19.979 18.846 -9.569 48 HG3 LYS 6 HG3 LYS 6 18.327 18.255 -9.386 49 HD2 LYS 6 HD2 LYS 6 18.432 20.257 -10.803 50 HD3 LYS 6 HD3 LYS 6 17.496 20.539 -9.334 51 HE2 LYS 6 HE2 LYS 6 19.350 21.669 -8.309 52 HE3 LYS 6 HE3 LYS 6 20.397 21.270 -9.669 53 HZ1 LYS 6 HZ1 LYS 6 19.588 23.551 -9.797 54 HZ2 LYS 6 HZ2 LYS 6 17.988 23.004 -9.811 55 HZ3 LYS 6 HZ3 LYS 6 19.014 22.637 -11.095 56 H LYS 7 H LYS 7 17.285 17.461 -6.141 57 HA LYS 7 HA LYS 7 17.012 15.069 -7.814 58 HB2 LYS 7 HB2 LYS 7 17.335 14.580 -5.332 59 HB3 LYS 7 HB3 LYS 7 15.763 15.324 -5.079 60 HG2 LYS 7 HG2 LYS 7 15.020 13.209 -5.288 61 HG3 LYS 7 HG3 LYS 7 15.135 13.549 -7.012 62 HD2 LYS 7 HD2 LYS 7 17.256 12.203 -5.327 63 HD3 LYS 7 HD3 LYS 7 16.155 11.392 -6.439 64 HE2 LYS 7 HE2 LYS 7 18.104 13.526 -7.308 65 HE3 LYS 7 HE3 LYS 7 18.507 11.817 -7.283 66 HZ1 LYS 7 HZ1 LYS 7 17.760 12.646 -9.476 67 HZ2 LYS 7 HZ2 LYS 7 16.221 12.929 -8.835 68 HZ3 LYS 7 HZ3 LYS 7 16.841 11.364 -8.893 69 H ASP 8 H ASP 8 14.897 14.573 -8.480 70 HA ASP 8 HA ASP 8 13.392 16.666 -9.475 71 HB2 ASP 8 HB2 ASP 8 12.352 13.908 -8.804 72 HB3 ASP 8 HB3 ASP 8 11.782 14.986 -10.079 73 H ASP 9 H ASP 9 11.659 17.882 -8.659 74 HA ASP 9 HA ASP 9 11.223 17.703 -5.831 75 HB2 ASP 9 HB2 ASP 9 9.843 19.727 -6.216 76 HB3 ASP 9 HB3 ASP 9 11.471 19.893 -6.867 77 H PHE 10 H PHE 10 10.004 16.179 -8.471 78 HA PHE 10 HA PHE 10 7.244 16.049 -7.647 79 HB2 PHE 10 HB2 PHE 10 7.823 15.905 -10.036 80 HB3 PHE 10 HB3 PHE 10 8.782 14.465 -9.729 81 HD1 PHE 10 HD1 PHE 10 5.306 15.759 -9.361 82 HD2 PHE 10 HD2 PHE 10 7.817 12.388 -10.033 83 HE1 PHE 10 HE1 PHE 10 3.320 14.361 -9.757 84 HE2 PHE 10 HE2 PHE 10 5.837 10.987 -10.431 85 HZ PHE 10 HZ PHE 10 3.584 11.975 -10.292 86 H ARG 11 H ARG 11 10.013 14.781 -6.513 87 HA ARG 11 HA ARG 11 8.714 12.301 -5.590 88 HB2 ARG 11 HB2 ARG 11 11.640 12.793 -6.122 89 HB3 ARG 11 HB3 ARG 11 11.040 11.393 -5.249 90 HG2 ARG 11 HG2 ARG 11 9.663 10.855 -7.282 91 HG3 ARG 11 HG3 ARG 11 10.568 12.119 -8.123 92 HD2 ARG 11 HD2 ARG 11 11.590 9.966 -8.551 93 HD3 ARG 11 HD3 ARG 11 12.661 10.955 -7.565 94 HE ARG 11 HE ARG 11 10.921 9.106 -6.127 95 HH11 ARG 11 HH11 ARG 11 14.107 9.723 -7.467 96 HH12 ARG 11 HH12 ARG 11 14.887 8.507 -6.523 97 HH21 ARG 11 HH21 ARG 11 11.948 7.504 -4.856 98 HH22 ARG 11 HH22 ARG 11 13.662 7.250 -5.012 99 H ASN 12 H ASN 12 10.082 11.489 -3.569 100 HA ASN 12 HA ASN 12 9.378 13.253 -1.479 101 HB2 ASN 12 HB2 ASN 12 9.283 10.845 -1.187 102 HB3 ASN 12 HB3 ASN 12 11.014 10.712 -1.459 103 HD21 ASN 12 HD21 ASN 12 12.436 11.417 0.138 104 HD22 ASN 12 HD22 ASN 12 11.931 11.630 1.779 105 H GLU 13 H GLU 13 10.440 15.083 -1.150 106 HA GLU 13 HA GLU 13 13.358 14.951 -0.756 107 HB2 GLU 13 HB2 GLU 13 11.747 16.832 -2.409 108 HB3 GLU 13 HB3 GLU 13 13.074 17.519 -1.486 109 HG2 GLU 13 HG2 GLU 13 13.420 15.185 -3.345 110 HG3 GLU 13 HG3 GLU 13 13.581 16.861 -3.868 111 H PHE 14 H PHE 14 10.812 14.873 0.876 112 HA PHE 14 HA PHE 14 10.039 15.495 2.879 113 HB2 PHE 14 HB2 PHE 14 12.557 15.071 3.351 114 HB3 PHE 14 HB3 PHE 14 12.669 16.823 3.487 115 HD1 PHE 14 HD1 PHE 14 10.720 13.930 4.790 116 HD2 PHE 14 HD2 PHE 14 12.253 17.827 5.546 117 HE1 PHE 14 HE1 PHE 14 9.947 13.780 7.118 118 HE2 PHE 14 HE2 PHE 14 11.481 17.684 7.874 119 HZ PHE 14 HZ PHE 14 10.326 15.658 8.664 120 H ASP 15 H ASP 15 9.577 17.280 0.701 121 HA ASP 15 HA ASP 15 9.850 19.978 1.654 122 HB2 ASP 15 HB2 ASP 15 9.667 19.446 -0.760 123 HB3 ASP 15 HB3 ASP 15 8.025 18.870 -0.496 124 H HIS 16 H HIS 16 7.682 17.392 2.107 125 HA HIS 16 HA HIS 16 5.991 17.046 3.587 126 HB2 HIS 16 HB2 HIS 16 7.198 18.861 4.995 127 HB3 HIS 16 HB3 HIS 16 5.998 19.971 4.349 128 HD1 HIS 16 HD1 HIS 16 3.438 19.391 5.007 129 HD2 HIS 16 HD2 HIS 16 6.393 17.408 7.154 130 HE1 HIS 16 HE1 HIS 16 2.303 18.513 7.064 131 HE2 HIS 16 HE2 HIS 16 4.171 17.574 8.458 132 H LEU 17 H LEU 17 5.618 17.482 0.901 133 HA LEU 17 HA LEU 17 3.216 19.099 0.677 134 HB2 LEU 17 HB2 LEU 17 4.659 19.569 -1.083 135 HB3 LEU 17 HB3 LEU 17 5.260 17.930 -1.168 136 HG LEU 17 HG LEU 17 3.145 17.242 -2.230 137 HD11 LEU 17 HD11 LEU 17 1.642 18.978 -3.133 138 HD12 LEU 17 HD12 LEU 17 2.580 20.218 -2.298 139 HD13 LEU 17 HD13 LEU 17 1.679 19.019 -1.370 140 HD21 LEU 17 HD21 LEU 17 4.633 19.466 -3.614 141 HD22 LEU 17 HD22 LEU 17 3.618 18.261 -4.406 142 HD23 LEU 17 HD23 LEU 17 5.091 17.763 -3.574 143 H LEU 18 H LEU 18 1.245 18.181 0.102 144 HA LEU 18 HA LEU 18 0.498 15.731 1.136 145 HB2 LEU 18 HB2 LEU 18 -0.793 17.358 -1.049 146 HB3 LEU 18 HB3 LEU 18 -1.528 15.916 -0.388 147 HG LEU 18 HG LEU 18 -1.510 17.056 1.866 148 HD11 LEU 18 HD11 LEU 18 -0.770 19.444 0.193 149 HD12 LEU 18 HD12 LEU 18 0.172 18.731 1.505 150 HD13 LEU 18 HD13 LEU 18 -1.369 19.517 1.848 151 HD21 LEU 18 HD21 LEU 18 -3.077 18.327 -0.372 152 HD22 LEU 18 HD22 LEU 18 -3.457 18.468 1.345 153 HD23 LEU 18 HD23 LEU 18 -3.533 16.895 0.552 154 H ILE 19 H ILE 19 0.837 16.438 -2.348 155 HA ILE 19 HA ILE 19 0.539 13.798 -3.208 156 HB ILE 19 HB ILE 19 1.844 16.174 -4.521 157 HG12 ILE 19 HG12 ILE 19 -0.564 16.273 -4.261 158 HG13 ILE 19 HG13 ILE 19 -0.155 16.061 -5.960 159 HG21 ILE 19 HG21 ILE 19 1.396 13.459 -5.778 160 HG22 ILE 19 HG22 ILE 19 2.963 14.173 -5.401 161 HG23 ILE 19 HG23 ILE 19 1.930 14.913 -6.623 162 HD11 ILE 19 HD11 ILE 19 -1.155 13.930 -4.075 163 HD12 ILE 19 HD12 ILE 19 -0.661 13.652 -5.744 164 HD13 ILE 19 HD13 ILE 19 -2.047 14.684 -5.394 165 H GLU 20 H GLU 20 3.325 15.563 -2.122 166 HA GLU 20 HA GLU 20 5.344 13.865 -3.061 167 HB2 GLU 20 HB2 GLU 20 5.760 16.119 -2.235 168 HB3 GLU 20 HB3 GLU 20 5.279 15.626 -0.617 169 HG2 GLU 20 HG2 GLU 20 7.139 13.916 -0.783 170 HG3 GLU 20 HG3 GLU 20 7.684 14.857 -2.176 171 H GLN 21 H GLN 21 3.673 13.999 0.090 172 HA GLN 21 HA GLN 21 5.035 11.821 1.221 173 HB2 GLN 21 HB2 GLN 21 3.673 13.479 2.503 174 HB3 GLN 21 HB3 GLN 21 2.223 12.711 1.873 175 HG2 GLN 21 HG2 GLN 21 2.681 11.936 4.119 176 HG3 GLN 21 HG3 GLN 21 2.856 10.613 2.967 177 HE21 GLN 21 HE21 GLN 21 4.493 12.741 5.159 178 HE22 GLN 21 HE22 GLN 21 6.014 11.914 5.165 179 H ALA 22 H ALA 22 1.876 11.962 -0.467 180 HA ALA 22 HA ALA 22 1.258 9.268 -0.390 181 HB1 ALA 22 HB1 ALA 22 -0.269 11.049 -1.154 182 HB2 ALA 22 HB2 ALA 22 -0.184 9.705 -2.291 183 HB3 ALA 22 HB3 ALA 22 0.680 11.203 -2.633 184 H ASN 23 H ASN 23 3.223 11.053 -2.644 185 HA ASN 23 HA ASN 23 3.736 8.946 -4.483 186 HB2 ASN 23 HB2 ASN 23 4.238 11.476 -4.760 187 HB3 ASN 23 HB3 ASN 23 5.742 11.124 -3.919 188 HD21 ASN 23 HD21 ASN 23 5.384 12.065 -6.608 189 HD22 ASN 23 HD22 ASN 23 6.101 10.892 -7.649 190 H HIS 24 H HIS 24 5.398 10.107 -1.621 191 HA HIS 24 HA HIS 24 7.543 8.300 -1.634 192 HB2 HIS 24 HB2 HIS 24 7.608 10.229 -0.188 193 HB3 HIS 24 HB3 HIS 24 6.142 9.728 0.634 194 HD1 HIS 24 HD1 HIS 24 6.791 9.216 2.936 195 HD2 HIS 24 HD2 HIS 24 9.548 7.720 0.202 196 HE1 HIS 24 HE1 HIS 24 8.490 7.964 4.301 197 HE2 HIS 24 HE2 HIS 24 10.224 7.195 2.647 198 H ALA 25 H ALA 25 4.259 8.012 -0.185 199 HA ALA 25 HA ALA 25 4.683 5.540 1.004 200 HB1 ALA 25 HB1 ALA 25 2.812 7.030 1.536 201 HB2 ALA 25 HB2 ALA 25 2.263 5.407 1.117 202 HB3 ALA 25 HB3 ALA 25 2.121 6.717 -0.056 203 H ILE 26 H ILE 26 3.410 6.377 -2.232 204 HA ILE 26 HA ILE 26 2.904 3.670 -2.897 205 HB ILE 26 HB ILE 26 2.669 4.391 -5.240 206 HG12 ILE 26 HG12 ILE 26 3.460 7.111 -4.201 207 HG13 ILE 26 HG13 ILE 26 4.431 6.107 -5.272 208 HG21 ILE 26 HG21 ILE 26 0.761 5.902 -4.895 209 HG22 ILE 26 HG22 ILE 26 1.292 6.167 -3.235 210 HG23 ILE 26 HG23 ILE 26 0.772 4.562 -3.749 211 HD11 ILE 26 HD11 ILE 26 3.316 7.865 -6.513 212 HD12 ILE 26 HD12 ILE 26 1.748 7.315 -5.922 213 HD13 ILE 26 HD13 ILE 26 2.697 6.286 -6.995 214 H GLU 27 H GLU 27 5.748 5.736 -3.313 215 HA GLU 27 HA GLU 27 7.241 3.971 -4.905 216 HB2 GLU 27 HB2 GLU 27 8.071 5.999 -2.838 217 HB3 GLU 27 HB3 GLU 27 9.259 4.993 -3.649 218 HG2 GLU 27 HG2 GLU 27 8.350 5.879 -5.825 219 HG3 GLU 27 HG3 GLU 27 7.424 7.034 -4.868 220 H LYS 28 H LYS 28 6.791 4.146 -1.392 221 HA LYS 28 HA LYS 28 8.530 1.995 -0.770 222 HB2 LYS 28 HB2 LYS 28 7.898 3.533 0.983 223 HB3 LYS 28 HB3 LYS 28 6.192 3.172 0.749 224 HG2 LYS 28 HG2 LYS 28 6.676 0.814 1.437 225 HG3 LYS 28 HG3 LYS 28 8.309 1.332 1.844 226 HD2 LYS 28 HD2 LYS 28 5.819 2.556 3.027 227 HD3 LYS 28 HD3 LYS 28 6.705 1.226 3.773 228 HE2 LYS 28 HE2 LYS 28 8.735 2.694 3.743 229 HE3 LYS 28 HE3 LYS 28 7.691 4.019 3.227 230 HZ1 LYS 28 HZ1 LYS 28 7.377 2.461 5.729 231 HZ2 LYS 28 HZ2 LYS 28 6.420 3.771 5.253 232 HZ3 LYS 28 HZ3 LYS 28 8.048 4.005 5.626 233 H GLY 29 H GLY 29 5.002 2.211 -1.321 234 HA2 GLY 29 HA2 GLY 29 4.368 -0.442 -0.726 235 HA3 GLY 29 HA3 GLY 29 3.447 0.630 -1.769 236 H GLU 30 H GLU 30 5.254 1.109 -3.724 237 HA GLU 30 HA GLU 30 4.912 -1.065 -5.452 238 HB2 GLU 30 HB2 GLU 30 5.252 1.246 -6.213 239 HB3 GLU 30 HB3 GLU 30 6.910 1.193 -5.640 240 HG2 GLU 30 HG2 GLU 30 7.396 -0.579 -7.261 241 HG3 GLU 30 HG3 GLU 30 5.735 -0.473 -7.849 242 H HIS 31 H HIS 31 7.724 -0.016 -3.585 243 HA HIS 31 HA HIS 31 9.490 -1.991 -4.578 244 HB2 HIS 31 HB2 HIS 31 10.212 0.138 -3.479 245 HB3 HIS 31 HB3 HIS 31 9.672 -0.520 -1.941 246 HD1 HIS 31 HD1 HIS 31 11.792 -0.956 -0.701 247 HD2 HIS 31 HD2 HIS 31 11.969 -2.320 -4.618 248 HE1 HIS 31 HE1 HIS 31 13.971 -2.184 -0.888 249 HE2 HIS 31 HE2 HIS 31 13.897 -3.230 -3.171 250 H GLN 32 H GLN 32 7.469 -1.838 -1.670 251 HA GLN 32 HA GLN 32 8.399 -4.349 -0.674 252 HB2 GLN 32 HB2 GLN 32 6.677 -4.196 1.016 253 HB3 GLN 32 HB3 GLN 32 7.404 -2.621 0.806 254 HG2 GLN 32 HG2 GLN 32 5.171 -2.099 0.981 255 HG3 GLN 32 HG3 GLN 32 5.405 -2.157 -0.762 256 HE21 GLN 32 HE21 GLN 32 5.174 -5.018 1.279 257 HE22 GLN 32 HE22 GLN 32 3.663 -5.553 0.651 258 H LEU 33 H LEU 33 5.806 -3.395 -2.816 259 HA LEU 33 HA LEU 33 4.469 -5.877 -2.894 260 HB2 LEU 33 HB2 LEU 33 3.445 -3.829 -3.724 261 HB3 LEU 33 HB3 LEU 33 4.689 -3.661 -4.941 262 HG LEU 33 HG LEU 33 2.317 -4.509 -5.604 263 HD11 LEU 33 HD11 LEU 33 4.178 -4.337 -7.142 264 HD12 LEU 33 HD12 LEU 33 3.243 -5.801 -7.439 265 HD13 LEU 33 HD13 LEU 33 4.793 -5.899 -6.598 266 HD21 LEU 33 HD21 LEU 33 2.035 -6.923 -5.566 267 HD22 LEU 33 HD22 LEU 33 2.215 -6.316 -3.919 268 HD23 LEU 33 HD23 LEU 33 3.568 -7.121 -4.716 269 H LEU 34 H LEU 34 7.076 -4.498 -4.866 270 HA LEU 34 HA LEU 34 7.337 -6.715 -6.602 271 HB2 LEU 34 HB2 LEU 34 9.389 -4.657 -5.773 272 HB3 LEU 34 HB3 LEU 34 9.585 -5.786 -7.096 273 HG LEU 34 HG LEU 34 7.522 -3.587 -6.948 274 HD11 LEU 34 HD11 LEU 34 10.013 -3.854 -8.622 275 HD12 LEU 34 HD12 LEU 34 9.777 -2.740 -7.276 276 HD13 LEU 34 HD13 LEU 34 8.819 -2.561 -8.745 277 HD21 LEU 34 HD21 LEU 34 6.679 -5.504 -8.183 278 HD22 LEU 34 HD22 LEU 34 8.154 -5.548 -9.149 279 HD23 LEU 34 HD23 LEU 34 7.054 -4.178 -9.284 280 H TYR 35 H TYR 35 8.562 -5.949 -3.452 281 HA TYR 35 HA TYR 35 10.540 -7.991 -3.361 282 HB2 TYR 35 HB2 TYR 35 10.802 -6.141 -1.853 283 HB3 TYR 35 HB3 TYR 35 9.203 -6.404 -1.164 284 HD1 TYR 35 HD1 TYR 35 12.521 -8.069 -1.559 285 HD2 TYR 35 HD2 TYR 35 8.974 -7.691 0.751 286 HE1 TYR 35 HE1 TYR 35 13.491 -9.534 0.158 287 HE2 TYR 35 HE2 TYR 35 9.921 -9.155 2.471 288 HH TYR 35 HH TYR 35 11.663 -10.940 2.634 289 H LEU 36 H LEU 36 7.182 -7.734 -2.041 290 HA LEU 36 HA LEU 36 7.145 -10.263 -0.872 291 HB2 LEU 36 HB2 LEU 36 5.211 -8.153 -1.549 292 HB3 LEU 36 HB3 LEU 36 4.538 -9.766 -1.443 293 HG LEU 36 HG LEU 36 4.300 -8.502 0.654 294 HD11 LEU 36 HD11 LEU 36 4.411 -10.918 0.733 295 HD12 LEU 36 HD12 LEU 36 5.164 -10.212 2.161 296 HD13 LEU 36 HD13 LEU 36 6.167 -10.857 0.861 297 HD21 LEU 36 HD21 LEU 36 6.226 -7.977 2.023 298 HD22 LEU 36 HD22 LEU 36 6.352 -7.155 0.467 299 HD23 LEU 36 HD23 LEU 36 7.304 -8.606 0.781 300 H GLN 37 H GLN 37 6.426 -9.183 -4.167 301 HA GLN 37 HA GLN 37 5.167 -11.562 -4.953 302 HB2 GLN 37 HB2 GLN 37 6.614 -9.491 -6.597 303 HB3 GLN 37 HB3 GLN 37 5.720 -10.840 -7.294 304 HG2 GLN 37 HG2 GLN 37 3.708 -10.049 -6.064 305 HG3 GLN 37 HG3 GLN 37 4.631 -8.632 -5.580 306 HE21 GLN 37 HE21 GLN 37 2.216 -8.802 -7.103 307 HE22 GLN 37 HE22 GLN 37 2.523 -8.005 -8.613 308 H HIS 38 H HIS 38 8.493 -10.670 -4.568 309 HA HIS 38 HA HIS 38 9.607 -12.871 -5.996 310 HB2 HIS 38 HB2 HIS 38 10.678 -10.880 -4.041 311 HB3 HIS 38 HB3 HIS 38 11.627 -12.320 -4.400 312 HD1 HIS 38 HD1 HIS 38 10.128 -9.305 -6.130 313 HD2 HIS 38 HD2 HIS 38 12.987 -12.251 -6.766 314 HE1 HIS 38 HE1 HIS 38 11.271 -8.686 -8.251 315 HE2 HIS 38 HE2 HIS 38 13.106 -10.384 -8.540 316 H GLN 39 H GLN 39 8.462 -12.291 -2.737 317 HA GLN 39 HA GLN 39 9.479 -14.663 -1.572 318 HB2 GLN 39 HB2 GLN 39 7.108 -12.964 -0.753 319 HB3 GLN 39 HB3 GLN 39 7.866 -14.203 0.238 320 HG2 GLN 39 HG2 GLN 39 9.126 -11.633 -0.701 321 HG3 GLN 39 HG3 GLN 39 8.600 -12.016 0.938 322 HE21 GLN 39 HE21 GLN 39 9.828 -13.413 2.187 323 HE22 GLN 39 HE22 GLN 39 11.437 -13.870 1.760 324 H LEU 40 H LEU 40 6.420 -13.707 -3.046 325 HA LEU 40 HA LEU 40 4.948 -16.021 -2.907 326 HB2 LEU 40 HB2 LEU 40 4.112 -13.957 -3.872 327 HB3 LEU 40 HB3 LEU 40 5.240 -14.090 -5.204 328 HG LEU 40 HG LEU 40 4.057 -16.151 -5.942 329 HD11 LEU 40 HD11 LEU 40 3.104 -16.781 -3.776 330 HD12 LEU 40 HD12 LEU 40 1.867 -16.659 -5.025 331 HD13 LEU 40 HD13 LEU 40 2.050 -15.371 -3.835 332 HD21 LEU 40 HD21 LEU 40 3.572 -13.959 -6.923 333 HD22 LEU 40 HD22 LEU 40 2.337 -13.685 -5.694 334 HD23 LEU 40 HD23 LEU 40 2.135 -14.980 -6.874 335 H ASP 41 H ASP 41 7.499 -15.200 -5.259 336 HA ASP 41 HA ASP 41 7.314 -17.488 -6.850 337 HB2 ASP 41 HB2 ASP 41 8.659 -15.665 -7.614 338 HB3 ASP 41 HB3 ASP 41 9.655 -15.708 -6.164 339 H GLU 42 H GLU 42 9.113 -16.877 -3.902 340 HA GLU 42 HA GLU 42 10.392 -19.415 -3.734 341 HB2 GLU 42 HB2 GLU 42 11.260 -17.551 -2.462 342 HB3 GLU 42 HB3 GLU 42 9.730 -17.355 -1.618 343 HG2 GLU 42 HG2 GLU 42 10.053 -19.448 -0.472 344 HG3 GLU 42 HG3 GLU 42 11.522 -19.758 -1.395 345 H LEU 43 H LEU 43 7.508 -18.102 -2.297 346 HA LEU 43 HA LEU 43 6.622 -20.285 -0.787 347 HB2 LEU 43 HB2 LEU 43 5.592 -18.049 -0.680 348 HB3 LEU 43 HB3 LEU 43 4.875 -18.311 -2.257 349 HG LEU 43 HG LEU 43 3.617 -20.251 -1.270 350 HD11 LEU 43 HD11 LEU 43 5.052 -20.693 0.617 351 HD12 LEU 43 HD12 LEU 43 3.401 -20.373 1.139 352 HD13 LEU 43 HD13 LEU 43 4.637 -19.128 1.315 353 HD21 LEU 43 HD21 LEU 43 3.134 -17.543 -0.039 354 HD22 LEU 43 HD22 LEU 43 1.957 -18.850 -0.154 355 HD23 LEU 43 HD23 LEU 43 2.565 -18.079 -1.619 356 H ASN 44 H ASN 44 6.088 -19.593 -4.175 357 HA ASN 44 HA ASN 44 4.242 -21.656 -4.758 358 HB2 ASN 44 HB2 ASN 44 6.245 -20.202 -6.483 359 HB3 ASN 44 HB3 ASN 44 5.137 -21.402 -7.137 360 HD21 ASN 44 HD21 ASN 44 4.264 -19.741 -8.454 361 HD22 ASN 44 HD22 ASN 44 3.160 -18.584 -7.791 362 H GLU 45 H GLU 45 7.655 -21.616 -4.527 363 HA GLU 45 HA GLU 45 8.011 -24.301 -5.586 364 HB2 GLU 45 HB2 GLU 45 10.005 -22.473 -4.245 365 HB3 GLU 45 HB3 GLU 45 10.396 -24.005 -5.015 366 HG2 GLU 45 HG2 GLU 45 9.263 -21.571 -6.377 367 HG3 GLU 45 HG3 GLU 45 10.931 -22.137 -6.462 368 H ASN 46 H ASN 46 8.183 -22.771 -2.416 369 HA ASN 46 HA ASN 46 8.965 -25.233 -1.111 370 HB2 ASN 46 HB2 ASN 46 8.313 -22.488 -0.055 371 HB3 ASN 46 HB3 ASN 46 8.634 -23.856 1.007 372 HD21 ASN 46 HD21 ASN 46 10.125 -21.413 0.746 373 HD22 ASN 46 HD22 ASN 46 11.725 -21.847 0.264 374 H LYS 47 H LYS 47 6.090 -23.510 -1.691 375 HA LYS 47 HA LYS 47 3.815 -23.814 -1.105 376 HB2 LYS 47 HB2 LYS 47 4.807 -26.668 -0.870 377 HB3 LYS 47 HB3 LYS 47 3.111 -26.210 -0.851 378 HG2 LYS 47 HG2 LYS 47 4.987 -25.674 -3.150 379 HG3 LYS 47 HG3 LYS 47 3.921 -27.073 -3.037 380 HD2 LYS 47 HD2 LYS 47 1.981 -25.480 -2.880 381 HD3 LYS 47 HD3 LYS 47 3.105 -24.161 -3.207 382 HE2 LYS 47 HE2 LYS 47 3.690 -25.140 -5.339 383 HE3 LYS 47 HE3 LYS 47 2.665 -26.535 -5.011 384 HZ1 LYS 47 HZ1 LYS 47 1.733 -23.734 -5.341 385 HZ2 LYS 47 HZ2 LYS 47 0.737 -25.064 -5.011 386 HZ3 LYS 47 HZ3 LYS 47 1.570 -24.974 -6.472 387 H SER 48 H SER 48 5.935 -23.423 1.032 388 HA SER 48 HA SER 48 5.233 -24.850 3.360 389 HB2 SER 48 HB2 SER 48 6.518 -22.122 3.215 390 HB3 SER 48 HB3 SER 48 6.637 -23.289 4.535 391 HG SER 48 HG SER 48 8.353 -23.936 3.493 392 H LYS 49 H LYS 49 3.433 -24.733 4.519 393 HA LYS 49 HA LYS 49 1.447 -22.819 4.061 394 HB2 LYS 49 HB2 LYS 49 0.259 -23.790 5.973 395 HB3 LYS 49 HB3 LYS 49 0.869 -25.031 4.895 396 HG2 LYS 49 HG2 LYS 49 2.330 -24.222 7.387 397 HG3 LYS 49 HG3 LYS 49 1.053 -25.440 7.390 398 HD2 LYS 49 HD2 LYS 49 2.391 -26.604 5.559 399 HD3 LYS 49 HD3 LYS 49 3.710 -25.511 5.985 400 HE2 LYS 49 HE2 LYS 49 3.906 -27.676 7.114 401 HE3 LYS 49 HE3 LYS 49 3.713 -26.343 8.255 402 HZ1 LYS 49 HZ1 LYS 49 1.428 -28.006 7.338 403 HZ2 LYS 49 HZ2 LYS 49 1.485 -26.946 8.661 404 HZ3 LYS 49 HZ3 LYS 49 2.349 -28.389 8.708 405 H GLU 50 H GLU 50 3.819 -23.066 6.667 406 HA GLU 50 HA GLU 50 2.885 -20.869 8.153 407 HB2 GLU 50 HB2 GLU 50 5.180 -20.787 9.141 408 HB3 GLU 50 HB3 GLU 50 4.440 -22.378 9.181 409 HG2 GLU 50 HG2 GLU 50 5.772 -23.044 7.242 410 HG3 GLU 50 HG3 GLU 50 6.514 -21.446 7.211 411 H LEU 51 H LEU 51 5.347 -21.011 5.620 412 HA LEU 51 HA LEU 51 5.976 -18.306 5.535 413 HB2 LEU 51 HB2 LEU 51 7.174 -20.061 4.263 414 HB3 LEU 51 HB3 LEU 51 5.799 -20.196 3.188 415 HG LEU 51 HG LEU 51 6.162 -17.870 2.450 416 HD11 LEU 51 HD11 LEU 51 8.264 -16.749 3.013 417 HD12 LEU 51 HD12 LEU 51 8.630 -18.030 4.169 418 HD13 LEU 51 HD13 LEU 51 7.238 -16.980 4.429 419 HD21 LEU 51 HD21 LEU 51 8.553 -19.690 2.182 420 HD22 LEU 51 HD22 LEU 51 8.185 -18.315 1.140 421 HD23 LEU 51 HD23 LEU 51 7.103 -19.709 1.175 422 H GLN 52 H GLN 52 3.369 -20.069 3.919 423 HA GLN 52 HA GLN 52 2.273 -17.975 2.437 424 HB2 GLN 52 HB2 GLN 52 1.636 -20.403 2.308 425 HB3 GLN 52 HB3 GLN 52 0.727 -20.185 3.796 426 HG2 GLN 52 HG2 GLN 52 -0.621 -18.444 2.637 427 HG3 GLN 52 HG3 GLN 52 0.213 -18.864 1.144 428 HE21 GLN 52 HE21 GLN 52 -1.577 -19.587 0.093 429 HE22 GLN 52 HE22 GLN 52 -2.406 -21.040 0.531 430 H GLU 53 H GLU 53 1.623 -19.003 5.804 431 HA GLU 53 HA GLU 53 -0.399 -17.210 6.419 432 HB2 GLU 53 HB2 GLU 53 1.763 -18.327 8.215 433 HB3 GLU 53 HB3 GLU 53 0.256 -17.608 8.758 434 HG2 GLU 53 HG2 GLU 53 0.336 -20.032 6.989 435 HG3 GLU 53 HG3 GLU 53 0.395 -20.136 8.746 436 H LYS 54 H LYS 54 3.118 -16.907 6.891 437 HA LYS 54 HA LYS 54 3.125 -14.347 8.070 438 HB2 LYS 54 HB2 LYS 54 5.290 -15.452 6.276 439 HB3 LYS 54 HB3 LYS 54 5.473 -14.264 7.551 440 HG2 LYS 54 HG2 LYS 54 4.611 -17.090 8.113 441 HG3 LYS 54 HG3 LYS 54 6.305 -16.629 7.999 442 HD2 LYS 54 HD2 LYS 54 5.880 -16.515 10.285 443 HD3 LYS 54 HD3 LYS 54 5.696 -14.842 9.770 444 HE2 LYS 54 HE2 LYS 54 3.307 -15.032 9.805 445 HE3 LYS 54 HE3 LYS 54 3.400 -16.771 10.075 446 HZ1 LYS 54 HZ1 LYS 54 4.343 -14.680 11.958 447 HZ2 LYS 54 HZ2 LYS 54 4.399 -16.349 12.221 448 HZ3 LYS 54 HZ3 LYS 54 2.909 -15.563 12.113 449 H ILE 55 H ILE 55 3.467 -15.358 4.748 450 HA ILE 55 HA ILE 55 3.957 -12.820 3.626 451 HB ILE 55 HB ILE 55 2.792 -15.290 2.327 452 HG12 ILE 55 HG12 ILE 55 5.545 -14.028 2.215 453 HG13 ILE 55 HG13 ILE 55 5.114 -15.468 3.129 454 HG21 ILE 55 HG21 ILE 55 3.244 -14.228 0.168 455 HG22 ILE 55 HG22 ILE 55 3.733 -12.750 0.993 456 HG23 ILE 55 HG23 ILE 55 2.061 -13.300 1.093 457 HD11 ILE 55 HD11 ILE 55 5.014 -15.194 0.133 458 HD12 ILE 55 HD12 ILE 55 4.629 -16.645 1.061 459 HD13 ILE 55 HD13 ILE 55 6.274 -16.011 1.058 460 H ILE 56 H ILE 56 0.861 -14.598 3.847 461 HA ILE 56 HA ILE 56 -0.587 -12.469 2.640 462 HB ILE 56 HB ILE 56 -1.282 -14.905 2.650 463 HG12 ILE 56 HG12 ILE 56 -2.810 -12.933 2.041 464 HG13 ILE 56 HG13 ILE 56 -3.587 -14.464 2.412 465 HG21 ILE 56 HG21 ILE 56 -2.232 -14.293 5.433 466 HG22 ILE 56 HG22 ILE 56 -0.958 -15.424 4.975 467 HG23 ILE 56 HG23 ILE 56 -2.630 -15.740 4.507 468 HD11 ILE 56 HD11 ILE 56 -4.797 -12.590 3.376 469 HD12 ILE 56 HD12 ILE 56 -3.355 -12.101 4.269 470 HD13 ILE 56 HD13 ILE 56 -4.147 -13.631 4.644 471 H ARG 57 H ARG 57 0.123 -13.284 6.009 472 HA ARG 57 HA ARG 57 -1.758 -11.500 7.168 473 HB2 ARG 57 HB2 ARG 57 0.538 -13.071 8.141 474 HB3 ARG 57 HB3 ARG 57 0.181 -11.624 9.070 475 HG2 ARG 57 HG2 ARG 57 -0.918 -13.622 9.973 476 HG3 ARG 57 HG3 ARG 57 -2.076 -12.390 9.470 477 HD2 ARG 57 HD2 ARG 57 -2.520 -13.586 7.430 478 HD3 ARG 57 HD3 ARG 57 -1.265 -14.765 7.807 479 HE ARG 57 HE ARG 57 -3.412 -14.513 9.740 480 HH11 ARG 57 HH11 ARG 57 -2.155 -16.192 6.945 481 HH12 ARG 57 HH12 ARG 57 -3.039 -17.648 7.231 482 HH21 ARG 57 HH21 ARG 57 -4.648 -16.424 10.115 483 HH22 ARG 57 HH22 ARG 57 -4.510 -17.756 9.025 484 H GLU 58 H GLU 58 1.744 -11.112 6.595 485 HA GLU 58 HA GLU 58 1.749 -8.443 7.525 486 HB2 GLU 58 HB2 GLU 58 3.776 -9.913 7.334 487 HB3 GLU 58 HB3 GLU 58 3.722 -9.662 5.594 488 HG2 GLU 58 HG2 GLU 58 4.056 -7.304 5.878 489 HG3 GLU 58 HG3 GLU 58 3.970 -7.472 7.631 490 H LEU 59 H LEU 59 1.122 -9.904 4.421 491 HA LEU 59 HA LEU 59 1.309 -7.594 2.814 492 HB2 LEU 59 HB2 LEU 59 1.173 -9.998 2.045 493 HB3 LEU 59 HB3 LEU 59 -0.540 -9.941 2.398 494 HG LEU 59 HG LEU 59 -0.831 -8.188 0.698 495 HD11 LEU 59 HD11 LEU 59 1.370 -7.156 0.816 496 HD12 LEU 59 HD12 LEU 59 1.024 -7.677 -0.832 497 HD13 LEU 59 HD13 LEU 59 2.108 -8.626 0.183 498 HD21 LEU 59 HD21 LEU 59 -0.446 -9.600 -1.252 499 HD22 LEU 59 HD22 LEU 59 -1.097 -10.540 0.091 500 HD23 LEU 59 HD23 LEU 59 0.618 -10.634 -0.300 501 H ASP 60 H ASP 60 -1.376 -9.086 4.579 502 HA ASP 60 HA ASP 60 -3.402 -7.302 3.805 503 HB2 ASP 60 HB2 ASP 60 -3.933 -9.427 4.854 504 HB3 ASP 60 HB3 ASP 60 -3.118 -8.937 6.335 505 H VAL 61 H VAL 61 -1.106 -7.184 6.468 506 HA VAL 61 HA VAL 61 -2.169 -4.911 7.757 507 HB VAL 61 HB VAL 61 0.708 -5.853 7.691 508 HG11 VAL 61 HG11 VAL 61 0.949 -4.618 9.803 509 HG12 VAL 61 HG12 VAL 61 -0.693 -3.999 9.619 510 HG13 VAL 61 HG13 VAL 61 0.555 -3.549 8.458 511 HG21 VAL 61 HG21 VAL 61 0.162 -6.927 9.833 512 HG22 VAL 61 HG22 VAL 61 -0.791 -7.579 8.500 513 HG23 VAL 61 HG23 VAL 61 -1.521 -6.442 9.635 514 H VAL 62 H VAL 62 0.353 -5.218 5.275 515 HA VAL 62 HA VAL 62 1.012 -2.475 5.151 516 HB VAL 62 HB VAL 62 1.313 -4.553 2.970 517 HG11 VAL 62 HG11 VAL 62 1.491 -2.270 2.120 518 HG12 VAL 62 HG12 VAL 62 3.061 -3.074 2.097 519 HG13 VAL 62 HG13 VAL 62 2.693 -1.895 3.355 520 HG21 VAL 62 HG21 VAL 62 3.622 -4.762 3.792 521 HG22 VAL 62 HG22 VAL 62 2.439 -5.233 5.015 522 HG23 VAL 62 HG23 VAL 62 3.237 -3.663 5.119 523 H CYS 63 H CYS 63 -1.392 -4.386 3.331 524 HA CYS 63 HA CYS 63 -1.947 -2.198 1.581 525 HB2 CYS 63 HB2 CYS 63 -3.948 -3.581 0.912 526 HB3 CYS 63 HB3 CYS 63 -2.390 -4.367 0.707 527 HG CYS 63 HG CYS 63 -2.646 -6.184 2.615 528 H ALA 64 H ALA 64 -3.166 -3.278 4.698 529 HA ALA 64 HA ALA 64 -5.494 -1.687 4.753 530 HB1 ALA 64 HB1 ALA 64 -5.496 -2.157 7.126 531 HB2 ALA 64 HB2 ALA 64 -3.815 -2.691 7.039 532 HB3 ALA 64 HB3 ALA 64 -5.076 -3.616 6.226 533 H MET 65 H MET 65 -2.208 -1.176 6.059 534 HA MET 65 HA MET 65 -2.776 1.350 7.174 535 HB2 MET 65 HB2 MET 65 -0.419 1.653 7.440 536 HB3 MET 65 HB3 MET 65 -0.755 -0.054 7.694 537 HG2 MET 65 HG2 MET 65 0.035 -0.573 5.471 538 HG3 MET 65 HG3 MET 65 0.297 1.137 5.145 539 HE1 MET 65 HE1 MET 65 1.418 -1.998 7.070 540 HE2 MET 65 HE2 MET 65 1.071 -0.928 8.428 541 HE3 MET 65 HE3 MET 65 2.735 -1.418 8.090 542 H ILE 66 H ILE 66 -1.734 0.365 3.972 543 HA ILE 66 HA ILE 66 -1.289 2.959 2.948 544 HB ILE 66 HB ILE 66 -1.552 0.240 1.784 545 HG12 ILE 66 HG12 ILE 66 0.467 0.910 0.565 546 HG13 ILE 66 HG13 ILE 66 0.277 2.565 1.126 547 HG21 ILE 66 HG21 ILE 66 -2.026 2.667 0.064 548 HG22 ILE 66 HG22 ILE 66 -3.189 1.389 0.413 549 HG23 ILE 66 HG23 ILE 66 -1.741 1.029 -0.523 550 HD11 ILE 66 HD11 ILE 66 0.803 0.181 2.893 551 HD12 ILE 66 HD12 ILE 66 0.708 1.870 3.398 552 HD13 ILE 66 HD13 ILE 66 2.013 1.340 2.340 553 H GLU 67 H GLU 67 -4.184 0.932 3.148 554 HA GLU 67 HA GLU 67 -5.865 2.569 1.551 555 HB2 GLU 67 HB2 GLU 67 -6.351 0.453 3.627 556 HB3 GLU 67 HB3 GLU 67 -7.689 1.375 2.963 557 HG2 GLU 67 HG2 GLU 67 -5.762 -0.068 1.181 558 HG3 GLU 67 HG3 GLU 67 -7.128 -0.897 1.925 559 H GLY 68 H GLY 68 -5.001 2.524 4.964 560 HA2 GLY 68 HA2 GLY 68 -6.951 4.360 5.855 561 HA3 GLY 68 HA3 GLY 68 -5.446 3.960 6.673 562 H ALA 69 H ALA 69 -3.550 4.770 4.929 563 HA ALA 69 HA ALA 69 -3.513 7.573 5.320 564 HB1 ALA 69 HB1 ALA 69 -1.469 6.220 5.279 565 HB2 ALA 69 HB2 ALA 69 -1.400 7.525 4.096 566 HB3 ALA 69 HB3 ALA 69 -1.732 5.874 3.571 567 H GLN 70 H GLN 70 -4.227 5.508 2.550 568 HA GLN 70 HA GLN 70 -4.252 7.471 0.527 569 HB2 GLN 70 HB2 GLN 70 -5.097 4.710 0.824 570 HB3 GLN 70 HB3 GLN 70 -6.285 5.624 -0.091 571 HG2 GLN 70 HG2 GLN 70 -3.362 5.654 -0.779 572 HG3 GLN 70 HG3 GLN 70 -4.471 4.432 -1.400 573 HE21 GLN 70 HE21 GLN 70 -5.993 4.996 -2.932 574 HE22 GLN 70 HE22 GLN 70 -5.986 6.532 -3.739 575 H GLY 71 H GLY 71 -6.670 6.335 2.758 576 HA2 GLY 71 HA2 GLY 71 -8.854 7.847 1.732 577 HA3 GLY 71 HA3 GLY 71 -8.769 7.153 3.344 578 H ALA 72 H ALA 72 -6.450 8.520 4.221 579 HA ALA 72 HA ALA 72 -7.714 10.853 5.245 580 HB1 ALA 72 HB1 ALA 72 -5.634 11.210 6.457 581 HB2 ALA 72 HB2 ALA 72 -4.834 9.986 5.471 582 HB3 ALA 72 HB3 ALA 72 -6.134 9.521 6.568 583 H LEU 73 H LEU 73 -4.741 10.454 3.292 584 HA LEU 73 HA LEU 73 -4.397 13.180 2.822 585 HB2 LEU 73 HB2 LEU 73 -2.833 12.526 1.028 586 HB3 LEU 73 HB3 LEU 73 -2.542 11.694 2.536 587 HG LEU 73 HG LEU 73 -3.958 9.780 1.394 588 HD11 LEU 73 HD11 LEU 73 -2.850 11.249 -0.993 589 HD12 LEU 73 HD12 LEU 73 -4.556 11.044 -0.600 590 HD13 LEU 73 HD13 LEU 73 -3.571 9.640 -1.009 591 HD21 LEU 73 HD21 LEU 73 -1.087 10.395 0.704 592 HD22 LEU 73 HD22 LEU 73 -1.862 8.821 0.537 593 HD23 LEU 73 HD23 LEU 73 -1.667 9.542 2.135 594 H GLU 74 H GLU 74 -6.293 10.804 1.090 595 HA GLU 74 HA GLU 74 -6.755 12.256 -1.254 596 HB2 GLU 74 HB2 GLU 74 -7.299 9.829 -0.797 597 HB3 GLU 74 HB3 GLU 74 -8.709 10.385 0.088 598 HG2 GLU 74 HG2 GLU 74 -8.617 11.578 -2.529 599 HG3 GLU 74 HG3 GLU 74 -8.516 9.819 -2.629 600 H ARG 75 H ARG 75 -8.727 12.060 1.717 601 HA ARG 75 HA ARG 75 -10.672 13.922 0.930 602 HB2 ARG 75 HB2 ARG 75 -9.690 13.275 3.712 603 HB3 ARG 75 HB3 ARG 75 -11.139 14.202 3.359 604 HG2 ARG 75 HG2 ARG 75 -10.642 11.333 2.604 605 HG3 ARG 75 HG3 ARG 75 -11.681 11.907 3.908 606 HD2 ARG 75 HD2 ARG 75 -13.375 12.112 2.485 607 HD3 ARG 75 HD3 ARG 75 -12.437 13.241 1.514 608 HE ARG 75 HE ARG 75 -11.720 11.449 0.144 609 HH11 ARG 75 HH11 ARG 75 -14.071 10.493 2.586 610 HH12 ARG 75 HH12 ARG 75 -14.488 9.019 1.783 611 HH21 ARG 75 HH21 ARG 75 -12.258 9.495 -0.911 612 HH22 ARG 75 HH22 ARG 75 -13.451 8.444 -0.207 613 H GLU 76 H GLU 76 -7.537 14.398 2.431 614 HA GLU 76 HA GLU 76 -7.873 17.155 2.984 615 HB2 GLU 76 HB2 GLU 76 -5.413 15.451 2.641 616 HB3 GLU 76 HB3 GLU 76 -5.353 17.148 3.096 617 HG2 GLU 76 HG2 GLU 76 -6.773 14.996 4.642 618 HG3 GLU 76 HG3 GLU 76 -5.168 15.621 5.011 619 H LEU 77 H LEU 77 -6.030 15.522 0.367 620 HA LEU 77 HA LEU 77 -5.459 17.881 -0.996 621 HB2 LEU 77 HB2 LEU 77 -4.938 16.456 -2.952 622 HB3 LEU 77 HB3 LEU 77 -4.171 15.933 -1.473 623 HG LEU 77 HG LEU 77 -6.117 14.225 -1.329 624 HD11 LEU 77 HD11 LEU 77 -7.051 13.533 -3.447 625 HD12 LEU 77 HD12 LEU 77 -6.212 14.845 -4.273 626 HD13 LEU 77 HD13 LEU 77 -7.486 15.208 -3.108 627 HD21 LEU 77 HD21 LEU 77 -3.970 13.990 -3.429 628 HD22 LEU 77 HD22 LEU 77 -4.870 12.647 -2.722 629 HD23 LEU 77 HD23 LEU 77 -3.800 13.620 -1.711 630 H LYS 78 H LYS 78 -8.398 16.306 -0.729 631 HA LYS 78 HA LYS 78 -9.439 17.104 -3.301 632 HB2 LYS 78 HB2 LYS 78 -10.631 15.767 -0.914 633 HB3 LYS 78 HB3 LYS 78 -11.663 16.355 -2.230 634 HG2 LYS 78 HG2 LYS 78 -9.350 14.468 -2.594 635 HG3 LYS 78 HG3 LYS 78 -11.021 13.929 -2.371 636 HD2 LYS 78 HD2 LYS 78 -11.676 14.910 -4.434 637 HD3 LYS 78 HD3 LYS 78 -10.162 15.806 -4.569 638 HE2 LYS 78 HE2 LYS 78 -8.929 13.735 -4.826 639 HE3 LYS 78 HE3 LYS 78 -10.412 12.799 -4.630 640 HZ1 LYS 78 HZ1 LYS 78 -9.832 14.699 -6.834 641 HZ2 LYS 78 HZ2 LYS 78 -11.251 13.804 -6.664 642 HZ3 LYS 78 HZ3 LYS 78 -9.786 13.016 -6.949 643 H ARG 79 H ARG 79 -8.765 18.628 -0.456 644 HA ARG 79 HA ARG 79 -10.936 20.174 0.219 645 HB2 ARG 79 HB2 ARG 79 -8.997 20.124 1.605 646 HB3 ARG 79 HB3 ARG 79 -7.996 20.809 0.337 647 HG2 ARG 79 HG2 ARG 79 -9.163 22.930 0.530 648 HG3 ARG 79 HG3 ARG 79 -10.234 22.242 1.756 649 HD2 ARG 79 HD2 ARG 79 -8.461 21.995 3.303 650 HD3 ARG 79 HD3 ARG 79 -7.243 22.290 2.065 651 HE ARG 79 HE ARG 79 -8.847 24.553 2.213 652 HH11 ARG 79 HH11 ARG 79 -6.648 22.803 4.321 653 HH12 ARG 79 HH12 ARG 79 -6.079 24.231 5.117 654 HH21 ARG 79 HH21 ARG 79 -8.095 26.439 3.291 655 HH22 ARG 79 HH22 ARG 79 -6.902 26.290 4.537 656 H THR 80 H THR 80 -8.288 21.328 -1.938 657 HA THR 80 HA THR 80 -10.224 22.632 -3.623 658 HB THR 80 HB THR 80 -8.224 24.417 -2.201 659 HG1 THR 80 HG1 THR 80 -10.760 23.591 -1.470 660 HG21 THR 80 HG21 THR 80 -9.565 26.225 -3.172 661 HG22 THR 80 HG22 THR 80 -10.609 25.032 -3.947 662 HG23 THR 80 HG23 THR 80 -8.918 25.165 -4.424 663 H ASP 81 H ASP 81 -8.891 20.876 -4.946 664 HA ASP 81 HA ASP 81 -6.272 21.608 -5.657 665 HB2 ASP 81 HB2 ASP 81 -6.562 19.838 -7.373 666 HB3 ASP 81 HB3 ASP 81 -6.999 19.298 -5.759 667 H LEU 82 H LEU 82 -7.425 24.001 -6.075 668 HA LEU 82 HA LEU 82 -8.300 24.154 -8.820 669 HB2 LEU 82 HB2 LEU 82 -9.172 25.555 -6.785 670 HB3 LEU 82 HB3 LEU 82 -7.718 26.498 -7.020 671 HG LEU 82 HG LEU 82 -9.720 27.526 -8.046 672 HD11 LEU 82 HD11 LEU 82 -7.542 28.060 -8.962 673 HD12 LEU 82 HD12 LEU 82 -8.760 28.011 -10.237 674 HD13 LEU 82 HD13 LEU 82 -7.636 26.666 -10.040 675 HD21 LEU 82 HD21 LEU 82 -9.690 25.131 -9.882 676 HD22 LEU 82 HD22 LEU 82 -10.728 26.547 -10.033 677 HD23 LEU 82 HD23 LEU 82 -10.901 25.471 -8.647 678 H ASN 83 H ASN 83 -6.594 23.590 -10.027 679 HA ASN 83 HA ASN 83 -4.591 25.317 -10.790 680 HB2 ASN 83 HB2 ASN 83 -3.759 24.990 -8.434 681 HB3 ASN 83 HB3 ASN 83 -3.468 23.303 -8.837 682 HD21 ASN 83 HD21 ASN 83 -2.485 26.574 -9.400 683 HD22 ASN 83 HD22 ASN 83 -0.987 26.195 -10.169 684 H ILE 84 H ILE 84 -3.984 24.559 -12.693 685 HA ILE 84 HA ILE 84 -4.853 22.106 -13.692 686 HB ILE 84 HB ILE 84 -2.604 23.787 -14.817 687 HG12 ILE 84 HG12 ILE 84 -5.574 23.860 -15.401 688 HG13 ILE 84 HG13 ILE 84 -4.694 25.061 -14.463 689 HG21 ILE 84 HG21 ILE 84 -4.389 21.717 -16.098 690 HG22 ILE 84 HG22 ILE 84 -2.657 21.567 -15.794 691 HG23 ILE 84 HG23 ILE 84 -3.251 22.748 -16.960 692 HD11 ILE 84 HD11 ILE 84 -4.268 24.427 -17.374 693 HD12 ILE 84 HD12 ILE 84 -3.375 25.627 -16.439 694 HD13 ILE 84 HD13 ILE 84 -5.103 25.837 -16.722 695 H LEU 85 H LEU 85 -1.674 22.979 -12.337 696 HA LEU 85 HA LEU 85 -0.397 20.573 -13.169 697 HB2 LEU 85 HB2 LEU 85 0.665 22.843 -12.638 698 HB3 LEU 85 HB3 LEU 85 0.430 22.451 -10.953 699 HG LEU 85 HG LEU 85 2.757 22.085 -11.843 700 HD11 LEU 85 HD11 LEU 85 1.370 19.667 -10.704 701 HD12 LEU 85 HD12 LEU 85 2.048 21.015 -9.791 702 HD13 LEU 85 HD13 LEU 85 3.112 19.951 -10.711 703 HD21 LEU 85 HD21 LEU 85 3.204 20.097 -13.172 704 HD22 LEU 85 HD22 LEU 85 2.134 21.196 -14.041 705 HD23 LEU 85 HD23 LEU 85 1.478 19.753 -13.268 706 H GLU 86 H GLU 86 -1.711 21.790 -10.084 707 HA GLU 86 HA GLU 86 -1.103 19.551 -8.541 708 HB2 GLU 86 HB2 GLU 86 -3.417 21.468 -8.276 709 HB3 GLU 86 HB3 GLU 86 -3.021 20.243 -7.085 710 HG2 GLU 86 HG2 GLU 86 -0.781 21.287 -6.841 711 HG3 GLU 86 HG3 GLU 86 -1.325 22.585 -7.904 712 H ARG 87 H ARG 87 -3.970 20.214 -10.524 713 HA ARG 87 HA ARG 87 -5.395 17.921 -9.760 714 HB2 ARG 87 HB2 ARG 87 -5.505 19.535 -12.300 715 HB3 ARG 87 HB3 ARG 87 -6.648 18.263 -11.892 716 HG2 ARG 87 HG2 ARG 87 -7.238 19.526 -9.840 717 HG3 ARG 87 HG3 ARG 87 -6.184 20.829 -10.391 718 HD2 ARG 87 HD2 ARG 87 -8.592 19.763 -11.854 719 HD3 ARG 87 HD3 ARG 87 -8.528 21.260 -10.933 720 HE ARG 87 HE ARG 87 -7.001 22.135 -12.574 721 HH11 ARG 87 HH11 ARG 87 -8.612 19.145 -13.445 722 HH12 ARG 87 HH12 ARG 87 -8.461 19.404 -15.147 723 HH21 ARG 87 HH21 ARG 87 -6.782 22.479 -14.837 724 HH22 ARG 87 HH22 ARG 87 -7.395 21.303 -15.947 725 H PHE 88 H PHE 88 -3.071 18.481 -12.331 726 HA PHE 88 HA PHE 88 -3.273 15.990 -13.620 727 HB2 PHE 88 HB2 PHE 88 -2.178 17.924 -14.641 728 HB3 PHE 88 HB3 PHE 88 -0.947 17.916 -13.387 729 HD1 PHE 88 HD1 PHE 88 -2.355 15.795 -16.102 730 HD2 PHE 88 HD2 PHE 88 1.034 16.814 -13.748 731 HE1 PHE 88 HE1 PHE 88 -0.953 14.344 -17.509 732 HE2 PHE 88 HE2 PHE 88 2.447 15.359 -15.146 733 HZ PHE 88 HZ PHE 88 1.452 14.123 -17.030 734 H ASN 89 H ASN 89 -1.225 17.141 -11.043 735 HA ASN 89 HA ASN 89 0.262 14.738 -10.686 736 HB2 ASN 89 HB2 ASN 89 -0.173 17.137 -8.925 737 HB3 ASN 89 HB3 ASN 89 0.693 15.727 -8.322 738 HD21 ASN 89 HD21 ASN 89 2.593 16.931 -8.109 739 HD22 ASN 89 HD22 ASN 89 3.540 17.391 -9.476 740 H TYR 90 H TYR 90 -2.550 16.035 -8.921 741 HA TYR 90 HA TYR 90 -2.991 13.972 -7.130 742 HB2 TYR 90 HB2 TYR 90 -4.907 15.787 -8.587 743 HB3 TYR 90 HB3 TYR 90 -5.472 14.608 -7.417 744 HD1 TYR 90 HD1 TYR 90 -2.280 16.309 -6.872 745 HD2 TYR 90 HD2 TYR 90 -6.447 16.370 -6.058 746 HE1 TYR 90 HE1 TYR 90 -1.891 17.930 -5.077 747 HE2 TYR 90 HE2 TYR 90 -6.086 17.988 -4.272 748 HH TYR 90 HH TYR 90 -3.279 19.755 -3.930 749 H GLU 91 H GLU 91 -4.379 14.340 -10.346 750 HA GLU 91 HA GLU 91 -5.767 11.916 -10.439 751 HB2 GLU 91 HB2 GLU 91 -4.681 13.693 -12.602 752 HB3 GLU 91 HB3 GLU 91 -5.583 12.229 -12.962 753 HG2 GLU 91 HG2 GLU 91 -7.460 13.125 -11.603 754 HG3 GLU 91 HG3 GLU 91 -6.562 14.635 -11.446 755 H GLU 92 H GLU 92 -2.474 12.687 -11.572 756 HA GLU 92 HA GLU 92 -1.984 10.125 -12.629 757 HB2 GLU 92 HB2 GLU 92 -0.613 12.076 -13.238 758 HB3 GLU 92 HB3 GLU 92 0.034 12.128 -11.604 759 HG2 GLU 92 HG2 GLU 92 1.106 9.999 -11.898 760 HG3 GLU 92 HG3 GLU 92 0.345 9.791 -13.473 761 H ALA 93 H ALA 93 -1.156 11.508 -9.383 762 HA ALA 93 HA ALA 93 0.192 9.304 -8.426 763 HB1 ALA 93 HB1 ALA 93 -0.303 10.199 -6.217 764 HB2 ALA 93 HB2 ALA 93 -1.554 11.235 -6.901 765 HB3 ALA 93 HB3 ALA 93 0.138 11.499 -7.326 766 H GLN 94 H GLN 94 -3.276 10.079 -8.289 767 HA GLN 94 HA GLN 94 -4.002 7.761 -6.856 768 HB2 GLN 94 HB2 GLN 94 -5.575 9.617 -8.624 769 HB3 GLN 94 HB3 GLN 94 -6.309 8.214 -7.863 770 HG2 GLN 94 HG2 GLN 94 -5.014 10.546 -6.468 771 HG3 GLN 94 HG3 GLN 94 -6.737 10.178 -6.542 772 HE21 GLN 94 HE21 GLN 94 -3.701 9.394 -5.076 773 HE22 GLN 94 HE22 GLN 94 -4.327 8.345 -3.852 774 H THR 95 H THR 95 -3.649 8.416 -10.266 775 HA THR 95 HA THR 95 -4.743 6.038 -11.272 776 HB THR 95 HB THR 95 -2.394 7.581 -12.410 777 HG1 THR 95 HG1 THR 95 -4.143 8.947 -12.352 778 HG21 THR 95 HG21 THR 95 -2.609 5.304 -13.338 779 HG22 THR 95 HG22 THR 95 -3.009 6.532 -14.542 780 HG23 THR 95 HG23 THR 95 -4.296 5.631 -13.738 781 H LEU 96 H LEU 96 -1.470 6.791 -10.142 782 HA LEU 96 HA LEU 96 -0.427 4.197 -10.708 783 HB2 LEU 96 HB2 LEU 96 0.609 6.291 -8.790 784 HB3 LEU 96 HB3 LEU 96 1.502 4.908 -9.387 785 HG LEU 96 HG LEU 96 0.537 7.226 -11.065 786 HD11 LEU 96 HD11 LEU 96 2.337 7.863 -9.556 787 HD12 LEU 96 HD12 LEU 96 2.901 7.818 -11.226 788 HD13 LEU 96 HD13 LEU 96 3.307 6.506 -10.121 789 HD21 LEU 96 HD21 LEU 96 2.259 4.855 -11.784 790 HD22 LEU 96 HD22 LEU 96 1.923 6.234 -12.829 791 HD23 LEU 96 HD23 LEU 96 0.614 5.158 -12.344 792 H SER 97 H SER 97 -1.861 5.794 -7.932 793 HA SER 97 HA SER 97 -1.293 3.894 -5.971 794 HB2 SER 97 HB2 SER 97 -3.710 5.705 -6.175 795 HB3 SER 97 HB3 SER 97 -3.173 4.870 -4.718 796 HG SER 97 HG SER 97 -1.609 6.748 -6.175 797 H LYS 98 H LYS 98 -4.193 4.215 -8.055 798 HA LYS 98 HA LYS 98 -5.581 2.032 -7.031 799 HB2 LYS 98 HB2 LYS 98 -5.674 3.273 -9.786 800 HB3 LYS 98 HB3 LYS 98 -6.868 2.153 -9.152 801 HG2 LYS 98 HG2 LYS 98 -7.433 3.764 -7.394 802 HG3 LYS 98 HG3 LYS 98 -6.243 4.886 -8.051 803 HD2 LYS 98 HD2 LYS 98 -8.667 3.840 -9.526 804 HD3 LYS 98 HD3 LYS 98 -8.537 5.431 -8.779 805 HE2 LYS 98 HE2 LYS 98 -6.648 5.953 -10.280 806 HE3 LYS 98 HE3 LYS 98 -6.839 4.376 -11.045 807 HZ1 LYS 98 HZ1 LYS 98 -9.106 5.051 -11.676 808 HZ2 LYS 98 HZ2 LYS 98 -7.919 6.036 -12.361 809 HZ3 LYS 98 HZ3 LYS 98 -8.811 6.593 -11.039 810 H ILE 99 H ILE 99 -3.290 2.308 -9.743 811 HA ILE 99 HA ILE 99 -3.567 -0.312 -10.683 812 HB ILE 99 HB ILE 99 -1.522 1.825 -11.028 813 HG12 ILE 99 HG12 ILE 99 -1.945 1.410 -13.403 814 HG13 ILE 99 HG13 ILE 99 -2.893 -0.016 -13.010 815 HG21 ILE 99 HG21 ILE 99 -0.011 0.332 -12.295 816 HG22 ILE 99 HG22 ILE 99 -0.945 -1.054 -11.721 817 HG23 ILE 99 HG23 ILE 99 -0.065 -0.049 -10.573 818 HD11 ILE 99 HD11 ILE 99 -3.598 2.826 -12.313 819 HD12 ILE 99 HD12 ILE 99 -4.562 1.399 -11.932 820 HD13 ILE 99 HD13 ILE 99 -4.304 1.865 -13.612 821 H LEU 100 H LEU 100 -1.418 1.079 -8.257 822 HA LEU 100 HA LEU 100 0.082 -1.268 -7.763 823 HB2 LEU 100 HB2 LEU 100 -0.426 1.152 -6.050 824 HB3 LEU 100 HB3 LEU 100 0.641 -0.151 -5.571 825 HG LEU 100 HG LEU 100 1.010 1.617 -7.991 826 HD11 LEU 100 HD11 LEU 100 1.404 2.794 -5.899 827 HD12 LEU 100 HD12 LEU 100 2.916 2.516 -6.763 828 HD13 LEU 100 HD13 LEU 100 2.497 1.514 -5.374 829 HD21 LEU 100 HD21 LEU 100 3.226 0.523 -8.129 830 HD22 LEU 100 HD22 LEU 100 1.893 -0.592 -8.417 831 HD23 LEU 100 HD23 LEU 100 2.724 -0.597 -6.862 832 H LEU 101 H LEU 101 -2.763 0.104 -6.160 833 HA LEU 101 HA LEU 101 -3.046 -1.807 -4.145 834 HB2 LEU 101 HB2 LEU 101 -5.179 -0.264 -5.626 835 HB3 LEU 101 HB3 LEU 101 -5.454 -1.169 -4.152 836 HG LEU 101 HG LEU 101 -3.697 1.281 -4.430 837 HD11 LEU 101 HD11 LEU 101 -6.318 0.873 -3.033 838 HD12 LEU 101 HD12 LEU 101 -6.062 1.770 -4.532 839 HD13 LEU 101 HD13 LEU 101 -5.345 2.343 -3.026 840 HD21 LEU 101 HD21 LEU 101 -3.482 1.133 -1.997 841 HD22 LEU 101 HD22 LEU 101 -2.779 -0.272 -2.798 842 HD23 LEU 101 HD23 LEU 101 -4.355 -0.401 -2.016 843 H LYS 102 H LYS 102 -4.195 -1.777 -7.455 844 HA LYS 102 HA LYS 102 -5.702 -4.151 -7.407 845 HB2 LYS 102 HB2 LYS 102 -5.766 -2.574 -9.288 846 HB3 LYS 102 HB3 LYS 102 -4.104 -2.980 -9.688 847 HG2 LYS 102 HG2 LYS 102 -4.970 -5.387 -9.933 848 HG3 LYS 102 HG3 LYS 102 -6.571 -4.649 -9.980 849 HD2 LYS 102 HD2 LYS 102 -5.800 -4.938 -12.237 850 HD3 LYS 102 HD3 LYS 102 -5.783 -3.215 -11.857 851 HE2 LYS 102 HE2 LYS 102 -3.391 -3.282 -11.485 852 HE3 LYS 102 HE3 LYS 102 -3.377 -5.028 -11.711 853 HZ1 LYS 102 HZ1 LYS 102 -4.074 -3.016 -13.775 854 HZ2 LYS 102 HZ2 LYS 102 -4.081 -4.684 -13.999 855 HZ3 LYS 102 HZ3 LYS 102 -2.629 -3.883 -13.690 856 H ASP 103 H ASP 103 -2.237 -3.608 -8.181 857 HA ASP 103 HA ASP 103 -1.748 -6.330 -8.777 858 HB2 ASP 103 HB2 ASP 103 -0.323 -4.094 -9.220 859 HB3 ASP 103 HB3 ASP 103 0.517 -4.685 -7.792 860 H LEU 104 H LEU 104 -1.692 -4.520 -5.659 861 HA LEU 104 HA LEU 104 -0.357 -6.444 -4.154 862 HB2 LEU 104 HB2 LEU 104 -2.230 -4.193 -3.657 863 HB3 LEU 104 HB3 LEU 104 -2.144 -5.406 -2.403 864 HG LEU 104 HG LEU 104 -0.702 -3.498 -1.919 865 HD11 LEU 104 HD11 LEU 104 0.819 -6.020 -2.523 866 HD12 LEU 104 HD12 LEU 104 -0.063 -5.645 -1.042 867 HD13 LEU 104 HD13 LEU 104 1.372 -4.714 -1.476 868 HD21 LEU 104 HD21 LEU 104 0.751 -4.266 -4.441 869 HD22 LEU 104 HD22 LEU 104 1.311 -3.082 -3.261 870 HD23 LEU 104 HD23 LEU 104 -0.169 -2.786 -4.172 871 H LYS 105 H LYS 105 -3.809 -5.910 -4.746 872 HA LYS 105 HA LYS 105 -4.769 -8.135 -3.331 873 HB2 LYS 105 HB2 LYS 105 -6.074 -6.904 -5.762 874 HB3 LYS 105 HB3 LYS 105 -6.866 -7.798 -4.476 875 HG2 LYS 105 HG2 LYS 105 -5.504 -5.127 -4.158 876 HG3 LYS 105 HG3 LYS 105 -7.239 -5.373 -4.319 877 HD2 LYS 105 HD2 LYS 105 -5.686 -6.708 -2.117 878 HD3 LYS 105 HD3 LYS 105 -6.227 -5.039 -1.958 879 HE2 LYS 105 HE2 LYS 105 -7.930 -6.282 -0.945 880 HE3 LYS 105 HE3 LYS 105 -8.558 -5.945 -2.554 881 HZ1 LYS 105 HZ1 LYS 105 -7.230 -8.476 -1.749 882 HZ2 LYS 105 HZ2 LYS 105 -7.991 -8.170 -3.235 883 HZ3 LYS 105 HZ3 LYS 105 -8.901 -8.246 -1.816 884 H GLU 106 H GLU 106 -3.474 -7.857 -6.563 885 HA GLU 106 HA GLU 106 -4.367 -10.367 -7.558 886 HB2 GLU 106 HB2 GLU 106 -3.540 -8.497 -8.979 887 HB3 GLU 106 HB3 GLU 106 -1.929 -8.736 -8.322 888 HG2 GLU 106 HG2 GLU 106 -2.018 -9.746 -10.473 889 HG3 GLU 106 HG3 GLU 106 -1.953 -11.032 -9.269 890 H THR 107 H THR 107 -1.521 -9.223 -5.891 891 HA THR 107 HA THR 107 0.007 -11.575 -5.993 892 HB THR 107 HB THR 107 0.072 -9.413 -3.877 893 HG1 THR 107 HG1 THR 107 0.392 -8.528 -5.945 894 HG21 THR 107 HG21 THR 107 1.305 -11.442 -3.233 895 HG22 THR 107 HG22 THR 107 2.412 -10.113 -3.577 896 HG23 THR 107 HG23 THR 107 2.180 -11.397 -4.763 897 H GLU 108 H GLU 108 -2.025 -10.306 -3.272 898 HA GLU 108 HA GLU 108 -1.788 -12.481 -1.611 899 HB2 GLU 108 HB2 GLU 108 -3.729 -11.751 -0.462 900 HB3 GLU 108 HB3 GLU 108 -2.973 -10.303 -1.104 901 HG2 GLU 108 HG2 GLU 108 -4.620 -10.001 -2.702 902 HG3 GLU 108 HG3 GLU 108 -5.157 -11.675 -2.602 903 H GLN 109 H GLN 109 -4.027 -12.092 -4.341 904 HA GLN 109 HA GLN 109 -5.543 -14.397 -3.980 905 HB2 GLN 109 HB2 GLN 109 -4.738 -12.981 -6.511 906 HB3 GLN 109 HB3 GLN 109 -5.854 -14.340 -6.477 907 HG2 GLN 109 HG2 GLN 109 -7.378 -13.098 -5.087 908 HG3 GLN 109 HG3 GLN 109 -6.249 -11.747 -5.014 909 HE21 GLN 109 HE21 GLN 109 -7.756 -10.358 -5.890 910 HE22 GLN 109 HE22 GLN 109 -8.188 -10.387 -7.564 911 H LYS 110 H LYS 110 -2.439 -13.964 -5.559 912 HA LYS 110 HA LYS 110 -2.234 -16.660 -6.422 913 HB2 LYS 110 HB2 LYS 110 -0.378 -14.348 -6.240 914 HB3 LYS 110 HB3 LYS 110 0.339 -15.950 -6.337 915 HG2 LYS 110 HG2 LYS 110 0.072 -14.797 -8.531 916 HG3 LYS 110 HG3 LYS 110 -0.699 -16.381 -8.438 917 HD2 LYS 110 HD2 LYS 110 -2.862 -15.258 -7.995 918 HD3 LYS 110 HD3 LYS 110 -2.061 -13.696 -8.182 919 HE2 LYS 110 HE2 LYS 110 -1.562 -14.147 -10.463 920 HE3 LYS 110 HE3 LYS 110 -2.085 -15.823 -10.310 921 HZ1 LYS 110 HZ1 LYS 110 -3.755 -14.479 -11.400 922 HZ2 LYS 110 HZ2 LYS 110 -3.830 -13.426 -10.079 923 HZ3 LYS 110 HZ3 LYS 110 -4.335 -15.033 -9.915 924 H VAL 111 H VAL 111 -1.113 -14.940 -3.561 925 HA VAL 111 HA VAL 111 0.352 -16.997 -2.353 926 HB VAL 111 HB VAL 111 -1.286 -14.835 -0.997 927 HG11 VAL 111 HG11 VAL 111 0.991 -16.504 0.067 928 HG12 VAL 111 HG12 VAL 111 -0.701 -16.611 0.556 929 HG13 VAL 111 HG13 VAL 111 0.228 -15.154 0.908 930 HG21 VAL 111 HG21 VAL 111 1.628 -14.856 -1.778 931 HG22 VAL 111 HG22 VAL 111 0.797 -13.569 -0.903 932 HG23 VAL 111 HG23 VAL 111 0.354 -13.930 -2.571 933 H LYS 112 H LYS 112 -3.053 -16.083 -1.948 934 HA LYS 112 HA LYS 112 -3.659 -18.296 -0.260 935 HB2 LYS 112 HB2 LYS 112 -5.930 -17.543 -0.362 936 HB3 LYS 112 HB3 LYS 112 -4.898 -16.126 -0.283 937 HG2 LYS 112 HG2 LYS 112 -5.172 -16.343 -2.947 938 HG3 LYS 112 HG3 LYS 112 -6.700 -17.050 -2.422 939 HD2 LYS 112 HD2 LYS 112 -5.641 -14.305 -1.714 940 HD3 LYS 112 HD3 LYS 112 -6.990 -14.669 -2.786 941 HE2 LYS 112 HE2 LYS 112 -8.206 -15.637 -0.903 942 HE3 LYS 112 HE3 LYS 112 -6.861 -15.225 0.164 943 HZ1 LYS 112 HZ1 LYS 112 -7.226 -12.869 -0.395 944 HZ2 LYS 112 HZ2 LYS 112 -8.604 -13.569 0.304 945 HZ3 LYS 112 HZ3 LYS 112 -8.545 -13.310 -1.355 946 H ASP 113 H ASP 113 -3.265 -17.966 -3.593 947 HA ASP 113 HA ASP 113 -4.976 -20.105 -4.448 948 HB2 ASP 113 HB2 ASP 113 -4.396 -18.380 -6.045 949 HB3 ASP 113 HB3 ASP 113 -2.684 -18.709 -5.834 950 H ILE 114 H ILE 114 -1.686 -19.874 -3.272 951 HA ILE 114 HA ILE 114 -0.880 -22.424 -4.287 952 HB ILE 114 HB ILE 114 0.353 -20.366 -2.518 953 HG12 ILE 114 HG12 ILE 114 2.305 -20.775 -3.931 954 HG13 ILE 114 HG13 ILE 114 1.508 -22.158 -4.662 955 HG21 ILE 114 HG21 ILE 114 0.568 -22.302 -1.080 956 HG22 ILE 114 HG22 ILE 114 2.138 -21.872 -1.757 957 HG23 ILE 114 HG23 ILE 114 1.242 -23.243 -2.408 958 HD11 ILE 114 HD11 ILE 114 1.470 -20.234 -6.122 959 HD12 ILE 114 HD12 ILE 114 0.624 -19.297 -4.889 960 HD13 ILE 114 HD13 ILE 114 -0.162 -20.690 -5.634 961 H GLN 115 H GLN 115 -1.481 -24.208 -3.646 962 HA GLN 115 HA GLN 115 -2.900 -24.663 -1.175 963 HB2 GLN 115 HB2 GLN 115 -3.210 -26.922 -1.802 964 HB3 GLN 115 HB3 GLN 115 -3.370 -25.992 -3.283 965 HG2 GLN 115 HG2 GLN 115 -0.799 -27.315 -2.511 966 HG3 GLN 115 HG3 GLN 115 -2.077 -28.212 -3.328 967 HE21 GLN 115 HE21 GLN 115 -0.918 -28.595 -5.143 968 HE22 GLN 115 HE22 GLN 115 -0.451 -27.370 -6.274 969 H THR 116 H THR 116 -1.977 -24.907 0.709 970 HA THR 116 HA THR 116 0.767 -25.886 0.743 971 HB THR 116 HB THR 116 0.956 -24.727 2.930 972 HG1 THR 116 HG1 THR 116 -1.072 -23.026 2.729 973 HG21 THR 116 HG21 THR 116 1.668 -23.663 0.846 974 HG22 THR 116 HG22 THR 116 1.012 -22.470 1.972 975 HG23 THR 116 HG23 THR 116 0.037 -23.040 0.613 976 H GLN 117 H GLN 117 1.289 -26.740 3.067 977 HA GLN 117 HA GLN 117 -0.328 -29.121 3.302 978 HB2 GLN 117 HB2 GLN 117 2.322 -28.834 3.396 979 HB3 GLN 117 HB3 GLN 117 1.995 -28.616 5.108 980 HG2 GLN 117 HG2 GLN 117 1.009 -31.003 3.571 981 HG3 GLN 117 HG3 GLN 117 2.594 -30.951 4.330 982 HE21 GLN 117 HE21 GLN 117 0.231 -32.631 4.819 983 HE22 GLN 117 HE22 GLN 117 -0.126 -32.453 6.502 Start of MODEL 8 1 H GLN 1 H1 GLN 1 0.333 44.372 29.863 2 HA GLN 1 HA GLN 1 1.834 43.570 28.205 3 HB2 GLN 1 HB2 GLN 1 3.625 42.832 29.732 4 HB3 GLN 1 HB3 GLN 1 2.592 41.543 30.328 5 HG2 GLN 1 HG2 GLN 1 2.630 40.465 28.167 6 HG3 GLN 1 HG3 GLN 1 3.572 41.791 27.491 7 HE21 GLN 1 HE21 GLN 1 5.268 40.450 26.916 8 HE22 GLN 1 HE22 GLN 1 6.341 39.752 28.077 9 H GLU 2 H GLU 2 0.698 42.444 26.732 10 HA GLU 2 HA GLU 2 -1.803 41.366 27.366 11 HB2 GLU 2 HB2 GLU 2 -0.110 40.865 24.922 12 HB3 GLU 2 HB3 GLU 2 -1.814 40.468 25.071 13 HG2 GLU 2 HG2 GLU 2 -2.229 42.911 25.479 14 HG3 GLU 2 HG3 GLU 2 -0.550 43.185 25.012 15 H HIS 3 H HIS 3 -2.437 39.449 28.058 16 HA HIS 3 HA HIS 3 -0.386 37.458 28.529 17 HB2 HIS 3 HB2 HIS 3 -3.207 37.745 29.526 18 HB3 HIS 3 HB3 HIS 3 -2.282 36.268 29.771 19 HD1 HIS 3 HD1 HIS 3 -0.273 36.384 31.410 20 HD2 HIS 3 HD2 HIS 3 -2.451 39.911 31.109 21 HE1 HIS 3 HE1 HIS 3 0.462 37.798 33.348 22 HE2 HIS 3 HE2 HIS 3 -0.994 39.847 33.241 23 H LYS 4 H LYS 4 -0.306 37.227 26.152 24 HA LYS 4 HA LYS 4 -2.352 35.745 24.844 25 HB2 LYS 4 HB2 LYS 4 0.539 36.271 24.178 26 HB3 LYS 4 HB3 LYS 4 -0.470 35.223 23.190 27 HG2 LYS 4 HG2 LYS 4 -1.932 37.015 22.626 28 HG3 LYS 4 HG3 LYS 4 -1.182 38.080 23.817 29 HD2 LYS 4 HD2 LYS 4 0.784 38.295 22.549 30 HD3 LYS 4 HD3 LYS 4 0.391 36.900 21.545 31 HE2 LYS 4 HE2 LYS 4 0.089 39.073 20.384 32 HE3 LYS 4 HE3 LYS 4 -1.383 38.110 20.462 33 HZ1 LYS 4 HZ1 LYS 4 -1.885 40.376 20.952 34 HZ2 LYS 4 HZ2 LYS 4 -0.718 40.466 22.162 35 HZ3 LYS 4 HZ3 LYS 4 -2.083 39.477 22.362 36 HA PRO 5 HA PRO 5 -1.680 31.812 26.670 37 HB2 PRO 5 HB2 PRO 5 -2.700 30.261 24.643 38 HB3 PRO 5 HB3 PRO 5 -3.687 31.117 25.834 39 HG2 PRO 5 HG2 PRO 5 -2.945 31.936 23.051 40 HG3 PRO 5 HG3 PRO 5 -4.519 32.047 23.864 41 HD2 PRO 5 HD2 PRO 5 -2.934 34.174 23.596 42 HD3 PRO 5 HD3 PRO 5 -3.887 33.922 25.074 43 H LYS 6 H LYS 6 0.568 31.831 26.612 44 HA LYS 6 HA LYS 6 2.200 31.177 24.465 45 HB2 LYS 6 HB2 LYS 6 2.532 30.840 27.418 46 HB3 LYS 6 HB3 LYS 6 3.743 30.197 26.321 47 HG2 LYS 6 HG2 LYS 6 2.955 32.986 25.832 48 HG3 LYS 6 HG3 LYS 6 3.785 32.688 27.355 49 HD2 LYS 6 HD2 LYS 6 5.407 33.280 25.639 50 HD3 LYS 6 HD3 LYS 6 5.630 31.603 26.116 51 HE2 LYS 6 HE2 LYS 6 3.892 32.182 23.760 52 HE3 LYS 6 HE3 LYS 6 5.632 32.352 23.571 53 HZ1 LYS 6 HZ1 LYS 6 5.886 30.049 24.327 54 HZ2 LYS 6 HZ2 LYS 6 4.937 30.145 22.941 55 HZ3 LYS 6 HZ3 LYS 6 4.209 29.877 24.437 56 H LYS 7 H LYS 7 1.709 29.580 23.174 57 HA LYS 7 HA LYS 7 1.092 26.954 24.231 58 HB2 LYS 7 HB2 LYS 7 -0.124 28.068 22.272 59 HB3 LYS 7 HB3 LYS 7 1.336 27.803 21.336 60 HG2 LYS 7 HG2 LYS 7 -0.376 26.110 20.909 61 HG3 LYS 7 HG3 LYS 7 1.093 25.407 21.575 62 HD2 LYS 7 HD2 LYS 7 0.069 25.245 23.760 63 HD3 LYS 7 HD3 LYS 7 -1.371 26.084 23.182 64 HE2 LYS 7 HE2 LYS 7 -0.372 23.441 22.124 65 HE3 LYS 7 HE3 LYS 7 -1.643 23.619 23.331 66 HZ1 LYS 7 HZ1 LYS 7 -2.504 23.305 21.076 67 HZ2 LYS 7 HZ2 LYS 7 -1.756 24.731 20.574 68 HZ3 LYS 7 HZ3 LYS 7 -2.986 24.782 21.731 69 H ASP 8 H ASP 8 2.282 25.204 22.630 70 HA ASP 8 HA ASP 8 4.926 25.031 23.471 71 HB2 ASP 8 HB2 ASP 8 3.927 23.730 20.943 72 HB3 ASP 8 HB3 ASP 8 5.109 23.117 22.092 73 H ASP 9 H ASP 9 6.891 25.182 22.304 74 HA ASP 9 HA ASP 9 6.977 27.459 20.548 75 HB2 ASP 9 HB2 ASP 9 9.421 27.126 20.523 76 HB3 ASP 9 HB3 ASP 9 8.783 27.159 22.160 77 H PHE 10 H PHE 10 6.607 24.138 20.150 78 HA PHE 10 HA PHE 10 7.408 24.260 17.331 79 HB2 PHE 10 HB2 PHE 10 8.236 22.360 18.786 80 HB3 PHE 10 HB3 PHE 10 6.569 21.829 18.938 81 HD1 PHE 10 HD2 PHE 10 5.407 20.822 17.031 82 HD2 PHE 10 HD1 PHE 10 9.475 22.049 16.746 83 HE1 PHE 10 HE2 PHE 10 5.657 19.497 14.976 84 HE2 PHE 10 HE1 PHE 10 9.731 20.722 14.692 85 HZ PHE 10 HZ PHE 10 7.824 19.444 13.803 86 H ARG 11 H ARG 11 5.655 25.466 16.570 87 HA ARG 11 HA ARG 11 3.109 24.009 16.485 88 HB2 ARG 11 HB2 ARG 11 3.442 26.940 17.134 89 HB3 ARG 11 HB3 ARG 11 1.909 26.216 16.676 90 HG2 ARG 11 HG2 ARG 11 3.438 25.062 18.958 91 HG3 ARG 11 HG3 ARG 11 2.535 26.558 19.191 92 HD2 ARG 11 HD2 ARG 11 1.283 24.480 19.802 93 HD3 ARG 11 HD3 ARG 11 0.477 25.492 18.611 94 HE ARG 11 HE ARG 11 1.005 23.890 16.949 95 HH11 ARG 11 HH11 ARG 11 1.835 22.804 20.211 96 HH12 ARG 11 HH12 ARG 11 1.847 21.137 19.767 97 HH21 ARG 11 HH21 ARG 11 0.987 21.686 16.405 98 HH22 ARG 11 HH22 ARG 11 1.350 20.496 17.608 99 H ASN 12 H ASN 12 2.255 23.867 14.528 100 HA ASN 12 HA ASN 12 1.931 24.068 12.296 101 HB2 ASN 12 HB2 ASN 12 2.747 26.914 12.883 102 HB3 ASN 12 HB3 ASN 12 2.306 26.379 11.267 103 HD21 ASN 12 HD21 ASN 12 0.527 27.700 11.163 104 HD22 ASN 12 HD22 ASN 12 -0.907 27.428 12.089 105 H GLU 13 H GLU 13 4.572 23.368 13.470 106 HA GLU 13 HA GLU 13 6.352 24.128 11.285 107 HB2 GLU 13 HB2 GLU 13 7.045 24.328 13.719 108 HB3 GLU 13 HB3 GLU 13 7.063 22.572 13.769 109 HG2 GLU 13 HG2 GLU 13 9.005 22.433 12.664 110 HG3 GLU 13 HG3 GLU 13 8.599 23.759 11.575 111 H PHE 14 H PHE 14 4.108 21.967 11.737 112 HA PHE 14 HA PHE 14 5.148 19.427 11.294 113 HB2 PHE 14 HB2 PHE 14 2.762 19.890 11.803 114 HB3 PHE 14 HB3 PHE 14 2.558 20.548 10.186 115 HD1 PHE 14 HD1 PHE 14 3.685 17.439 11.905 116 HD2 PHE 14 HD2 PHE 14 1.768 19.161 8.520 117 HE1 PHE 14 HE1 PHE 14 3.142 15.187 11.073 118 HE2 PHE 14 HE2 PHE 14 1.221 16.915 7.681 119 HZ PHE 14 HZ PHE 14 1.907 14.923 8.958 120 H ASP 15 H ASP 15 5.452 18.191 9.398 121 HA ASP 15 HA ASP 15 7.054 19.310 7.470 122 HB2 ASP 15 HB2 ASP 15 5.339 16.841 7.143 123 HB3 ASP 15 HB3 ASP 15 6.761 17.247 6.189 124 H HIS 16 H HIS 16 3.637 18.399 7.058 125 HA HIS 16 HA HIS 16 2.024 19.060 5.586 126 HB2 HIS 16 HB2 HIS 16 2.407 21.252 6.682 127 HB3 HIS 16 HB3 HIS 16 3.655 21.621 5.501 128 HD1 HIS 16 HD1 HIS 16 2.888 22.440 3.191 129 HD2 HIS 16 HD2 HIS 16 -0.250 21.440 5.728 130 HE1 HIS 16 HE1 HIS 16 0.816 23.332 2.088 131 HE2 HIS 16 HE2 HIS 16 -1.007 22.950 3.772 132 H LEU 17 H LEU 17 2.531 17.517 3.954 133 HA LEU 17 HA LEU 17 3.469 18.643 1.522 134 HB2 LEU 17 HB2 LEU 17 5.368 17.241 1.185 135 HB3 LEU 17 HB3 LEU 17 5.569 18.011 2.730 136 HG LEU 17 HG LEU 17 4.746 15.125 2.311 137 HD11 LEU 17 HD11 LEU 17 7.066 15.517 1.728 138 HD12 LEU 17 HD12 LEU 17 6.946 14.592 3.223 139 HD13 LEU 17 HD13 LEU 17 7.338 16.312 3.278 140 HD21 LEU 17 HD21 LEU 17 3.764 15.995 4.354 141 HD22 LEU 17 HD22 LEU 17 5.326 16.632 4.859 142 HD23 LEU 17 HD23 LEU 17 5.082 14.889 4.740 143 H LEU 18 H LEU 18 1.492 18.143 0.706 144 HA LEU 18 HA LEU 18 0.075 15.766 1.176 145 HB2 LEU 18 HB2 LEU 18 -0.202 17.935 -0.877 146 HB3 LEU 18 HB3 LEU 18 -1.241 16.526 -0.908 147 HG LEU 18 HG LEU 18 -2.072 17.105 1.352 148 HD11 LEU 18 HD11 LEU 18 -0.123 18.307 2.196 149 HD12 LEU 18 HD12 LEU 18 -1.582 19.291 2.317 150 HD13 LEU 18 HD13 LEU 18 -0.413 19.603 1.035 151 HD21 LEU 18 HD21 LEU 18 -3.437 18.967 0.673 152 HD22 LEU 18 HD22 LEU 18 -3.202 17.880 -0.699 153 HD23 LEU 18 HD23 LEU 18 -2.291 19.385 -0.598 154 H ILE 19 H ILE 19 1.036 16.718 -2.107 155 HA ILE 19 HA ILE 19 0.993 14.076 -3.044 156 HB ILE 19 HB ILE 19 2.135 16.604 -4.213 157 HG12 ILE 19 HG12 ILE 19 -0.291 16.445 -4.088 158 HG13 ILE 19 HG13 ILE 19 0.239 16.362 -5.765 159 HG21 ILE 19 HG21 ILE 19 2.453 15.416 -6.329 160 HG22 ILE 19 HG22 ILE 19 2.035 13.897 -5.538 161 HG23 ILE 19 HG23 ILE 19 3.495 14.765 -5.063 162 HD11 ILE 19 HD11 ILE 19 -0.039 13.915 -5.707 163 HD12 ILE 19 HD12 ILE 19 -1.539 14.771 -5.356 164 HD13 ILE 19 HD13 ILE 19 -0.623 14.037 -4.047 165 H GLU 20 H GLU 20 3.543 15.998 -1.687 166 HA GLU 20 HA GLU 20 5.785 14.580 -2.511 167 HB2 GLU 20 HB2 GLU 20 5.472 15.671 0.262 168 HB3 GLU 20 HB3 GLU 20 6.937 15.556 -0.695 169 HG2 GLU 20 HG2 GLU 20 4.620 17.409 -1.203 170 HG3 GLU 20 HG3 GLU 20 6.188 17.853 -0.539 171 H GLN 21 H GLN 21 3.704 14.050 0.342 172 HA GLN 21 HA GLN 21 5.158 11.775 1.216 173 HB2 GLN 21 HB2 GLN 21 3.756 13.105 2.748 174 HB3 GLN 21 HB3 GLN 21 2.319 12.575 1.888 175 HG2 GLN 21 HG2 GLN 21 2.638 11.333 3.964 176 HG3 GLN 21 HG3 GLN 21 2.733 10.275 2.557 177 HE21 GLN 21 HE21 GLN 21 4.503 11.751 5.159 178 HE22 GLN 21 HE22 GLN 21 5.923 10.776 5.020 179 H ALA 22 H ALA 22 2.194 12.201 -0.697 180 HA ALA 22 HA ALA 22 1.474 9.569 -1.071 181 HB1 ALA 22 HB1 ALA 22 0.155 11.478 -1.865 182 HB2 ALA 22 HB2 ALA 22 0.407 10.292 -3.145 183 HB3 ALA 22 HB3 ALA 22 1.353 11.781 -3.124 184 H ASN 23 H ASN 23 3.739 11.474 -2.952 185 HA ASN 23 HA ASN 23 4.500 9.473 -4.797 186 HB2 ASN 23 HB2 ASN 23 5.862 11.982 -3.859 187 HB3 ASN 23 HB3 ASN 23 6.695 10.866 -4.937 188 HD21 ASN 23 HD21 ASN 23 5.834 13.608 -5.407 189 HD22 ASN 23 HD22 ASN 23 4.776 13.547 -6.770 190 H HIS 24 H HIS 24 5.693 10.277 -1.608 191 HA HIS 24 HA HIS 24 7.873 8.440 -1.693 192 HB2 HIS 24 HB2 HIS 24 7.738 10.416 -0.149 193 HB3 HIS 24 HB3 HIS 24 6.488 9.566 0.750 194 HD1 HIS 24 HD1 HIS 24 7.289 8.150 2.623 195 HD2 HIS 24 HD2 HIS 24 10.297 8.948 -0.126 196 HE1 HIS 24 HE1 HIS 24 9.384 7.186 3.616 197 HE2 HIS 24 HE2 HIS 24 11.137 7.507 1.844 198 H ALA 25 H ALA 25 4.479 8.231 -0.510 199 HA ALA 25 HA ALA 25 4.730 5.722 0.659 200 HB1 ALA 25 HB1 ALA 25 2.307 7.026 -0.567 201 HB2 ALA 25 HB2 ALA 25 2.886 7.277 1.081 202 HB3 ALA 25 HB3 ALA 25 2.306 5.688 0.581 203 H ILE 26 H ILE 26 3.730 6.678 -2.641 204 HA ILE 26 HA ILE 26 3.171 4.035 -3.470 205 HB ILE 26 HB ILE 26 3.355 4.855 -5.803 206 HG12 ILE 26 HG12 ILE 26 4.137 7.482 -4.522 207 HG13 ILE 26 HG13 ILE 26 5.209 6.450 -5.462 208 HG21 ILE 26 HG21 ILE 26 1.788 6.641 -3.948 209 HG22 ILE 26 HG22 ILE 26 1.262 5.096 -4.615 210 HG23 ILE 26 HG23 ILE 26 1.513 6.477 -5.682 211 HD11 ILE 26 HD11 ILE 26 2.746 7.844 -6.489 212 HD12 ILE 26 HD12 ILE 26 3.814 6.809 -7.436 213 HD13 ILE 26 HD13 ILE 26 4.417 8.329 -6.776 214 H GLU 27 H GLU 27 6.128 5.917 -3.401 215 HA GLU 27 HA GLU 27 7.795 4.169 -4.843 216 HB2 GLU 27 HB2 GLU 27 8.526 6.402 -4.201 217 HB3 GLU 27 HB3 GLU 27 8.403 5.986 -2.501 218 HG2 GLU 27 HG2 GLU 27 10.175 4.247 -2.917 219 HG3 GLU 27 HG3 GLU 27 10.390 4.974 -4.508 220 H LYS 28 H LYS 28 6.917 4.332 -1.404 221 HA LYS 28 HA LYS 28 8.545 2.189 -0.539 222 HB2 LYS 28 HB2 LYS 28 7.585 3.939 0.944 223 HB3 LYS 28 HB3 LYS 28 5.987 3.262 0.670 224 HG2 LYS 28 HG2 LYS 28 6.801 1.127 1.667 225 HG3 LYS 28 HG3 LYS 28 8.304 1.955 2.075 226 HD2 LYS 28 HD2 LYS 28 5.534 2.687 3.036 227 HD3 LYS 28 HD3 LYS 28 6.804 1.926 3.993 228 HE2 LYS 28 HE2 LYS 28 8.214 3.934 3.641 229 HE3 LYS 28 HE3 LYS 28 6.872 4.689 2.781 230 HZ1 LYS 28 HZ1 LYS 28 6.868 3.835 5.624 231 HZ2 LYS 28 HZ2 LYS 28 5.543 4.492 4.811 232 HZ3 LYS 28 HZ3 LYS 28 6.927 5.428 5.060 233 H GLY 29 H GLY 29 5.102 2.429 -1.429 234 HA2 GLY 29 HA2 GLY 29 4.382 -0.220 -0.910 235 HA3 GLY 29 HA3 GLY 29 3.568 0.862 -2.027 236 H GLU 30 H GLU 30 5.550 1.303 -3.816 237 HA GLU 30 HA GLU 30 5.267 -0.863 -5.571 238 HB2 GLU 30 HB2 GLU 30 5.843 1.463 -6.283 239 HB3 GLU 30 HB3 GLU 30 7.481 1.189 -5.704 240 HG2 GLU 30 HG2 GLU 30 7.710 -0.672 -7.300 241 HG3 GLU 30 HG3 GLU 30 6.094 -0.325 -7.907 242 H HIS 31 H HIS 31 8.059 0.049 -3.566 243 HA HIS 31 HA HIS 31 9.665 -2.101 -4.474 244 HB2 HIS 31 HB2 HIS 31 10.566 -0.029 -3.408 245 HB3 HIS 31 HB3 HIS 31 9.973 -0.620 -1.860 246 HD1 HIS 31 HD1 HIS 31 11.803 -1.654 -0.538 247 HD2 HIS 31 HD2 HIS 31 12.326 -2.256 -4.620 248 HE1 HIS 31 HE1 HIS 31 13.915 -3.003 -0.763 249 HE2 HIS 31 HE2 HIS 31 14.122 -3.478 -3.231 250 H GLN 32 H GLN 32 7.505 -1.772 -1.657 251 HA GLN 32 HA GLN 32 8.303 -4.287 -0.575 252 HB2 GLN 32 HB2 GLN 32 6.543 -4.003 1.047 253 HB3 GLN 32 HB3 GLN 32 7.336 -2.465 0.815 254 HG2 GLN 32 HG2 GLN 32 5.115 -1.867 0.915 255 HG3 GLN 32 HG3 GLN 32 5.405 -1.963 -0.820 256 HE21 GLN 32 HE21 GLN 32 5.008 -4.781 1.266 257 HE22 GLN 32 HE22 GLN 32 3.499 -5.273 0.593 258 H LEU 33 H LEU 33 5.788 -3.271 -2.808 259 HA LEU 33 HA LEU 33 4.393 -5.730 -2.867 260 HB2 LEU 33 HB2 LEU 33 3.398 -3.678 -3.723 261 HB3 LEU 33 HB3 LEU 33 4.658 -3.527 -4.926 262 HG LEU 33 HG LEU 33 2.283 -4.352 -5.626 263 HD11 LEU 33 HD11 LEU 33 4.169 -4.236 -7.147 264 HD12 LEU 33 HD12 LEU 33 3.241 -5.710 -7.424 265 HD13 LEU 33 HD13 LEU 33 4.769 -5.784 -6.549 266 HD21 LEU 33 HD21 LEU 33 2.222 -6.156 -3.882 267 HD22 LEU 33 HD22 LEU 33 3.473 -7.002 -4.791 268 HD23 LEU 33 HD23 LEU 33 1.895 -6.713 -5.521 269 H LEU 34 H LEU 34 7.045 -4.415 -4.780 270 HA LEU 34 HA LEU 34 7.279 -6.642 -6.517 271 HB2 LEU 34 HB2 LEU 34 9.339 -4.590 -5.709 272 HB3 LEU 34 HB3 LEU 34 9.542 -5.747 -7.010 273 HG LEU 34 HG LEU 34 7.474 -3.548 -6.918 274 HD11 LEU 34 HD11 LEU 34 8.780 -2.558 -8.730 275 HD12 LEU 34 HD12 LEU 34 9.983 -3.835 -8.553 276 HD13 LEU 34 HD13 LEU 34 9.717 -2.687 -7.241 277 HD21 LEU 34 HD21 LEU 34 8.129 -5.558 -9.071 278 HD22 LEU 34 HD22 LEU 34 7.044 -4.181 -9.260 279 HD23 LEU 34 HD23 LEU 34 6.636 -5.473 -8.134 280 H TYR 35 H TYR 35 8.576 -5.882 -3.338 281 HA TYR 35 HA TYR 35 10.434 -8.017 -3.256 282 HB2 TYR 35 HB2 TYR 35 10.812 -6.217 -1.741 283 HB3 TYR 35 HB3 TYR 35 9.170 -6.306 -1.113 284 HD1 TYR 35 HD1 TYR 35 12.311 -8.318 -1.339 285 HD2 TYR 35 HD2 TYR 35 8.752 -7.491 0.844 286 HE1 TYR 35 HE1 TYR 35 13.065 -9.822 0.460 287 HE2 TYR 35 HE2 TYR 35 9.497 -8.986 2.643 288 HH TYR 35 HH TYR 35 12.681 -10.230 2.805 289 H LEU 36 H LEU 36 7.066 -7.604 -1.964 290 HA LEU 36 HA LEU 36 6.919 -10.098 -0.743 291 HB2 LEU 36 HB2 LEU 36 5.492 -7.944 -0.508 292 HB3 LEU 36 HB3 LEU 36 4.612 -8.540 -1.894 293 HG LEU 36 HG LEU 36 3.534 -8.969 0.326 294 HD11 LEU 36 HD11 LEU 36 4.214 -11.404 -1.303 295 HD12 LEU 36 HD12 LEU 36 2.894 -10.273 -1.600 296 HD13 LEU 36 HD13 LEU 36 2.886 -11.274 -0.149 297 HD21 LEU 36 HD21 LEU 36 5.568 -9.448 1.597 298 HD22 LEU 36 HD22 LEU 36 5.781 -10.947 0.687 299 HD23 LEU 36 HD23 LEU 36 4.382 -10.746 1.742 300 H GLN 37 H GLN 37 6.264 -8.962 -4.017 301 HA GLN 37 HA GLN 37 4.901 -11.219 -4.966 302 HB2 GLN 37 HB2 GLN 37 5.171 -8.940 -6.076 303 HB3 GLN 37 HB3 GLN 37 6.758 -9.488 -6.597 304 HG2 GLN 37 HG2 GLN 37 5.723 -11.317 -7.833 305 HG3 GLN 37 HG3 GLN 37 4.132 -10.784 -7.295 306 HE21 GLN 37 HE21 GLN 37 3.273 -8.860 -8.125 307 HE22 GLN 37 HE22 GLN 37 3.890 -8.149 -9.569 308 H HIS 38 H HIS 38 8.315 -10.503 -4.552 309 HA HIS 38 HA HIS 38 9.307 -12.765 -5.944 310 HB2 HIS 38 HB2 HIS 38 10.462 -10.826 -3.994 311 HB3 HIS 38 HB3 HIS 38 11.324 -12.334 -4.289 312 HD1 HIS 38 HD1 HIS 38 10.041 -9.303 -6.160 313 HD2 HIS 38 HD2 HIS 38 12.796 -12.385 -6.588 314 HE1 HIS 38 HE1 HIS 38 11.308 -8.791 -8.247 315 HE2 HIS 38 HE2 HIS 38 13.038 -10.610 -8.446 316 H GLN 39 H GLN 39 8.568 -12.100 -2.533 317 HA GLN 39 HA GLN 39 9.230 -14.578 -1.463 318 HB2 GLN 39 HB2 GLN 39 7.126 -12.576 -0.645 319 HB3 GLN 39 HB3 GLN 39 7.502 -14.009 0.300 320 HG2 GLN 39 HG2 GLN 39 9.508 -11.888 -0.429 321 HG3 GLN 39 HG3 GLN 39 8.619 -11.941 1.092 322 HE21 GLN 39 HE21 GLN 39 11.506 -12.127 0.544 323 HE22 GLN 39 HE22 GLN 39 12.021 -13.614 1.256 324 H LEU 40 H LEU 40 6.167 -13.455 -2.867 325 HA LEU 40 HA LEU 40 4.605 -15.687 -2.639 326 HB2 LEU 40 HB2 LEU 40 3.707 -13.704 -3.586 327 HB3 LEU 40 HB3 LEU 40 4.900 -13.691 -4.870 328 HG LEU 40 HG LEU 40 3.831 -15.717 -5.829 329 HD11 LEU 40 HD11 LEU 40 2.818 -16.603 -3.812 330 HD12 LEU 40 HD12 LEU 40 1.605 -16.351 -5.065 331 HD13 LEU 40 HD13 LEU 40 1.739 -15.211 -3.727 332 HD21 LEU 40 HD21 LEU 40 1.934 -14.552 -6.771 333 HD22 LEU 40 HD22 LEU 40 3.295 -13.444 -6.614 334 HD23 LEU 40 HD23 LEU 40 1.966 -13.381 -5.455 335 H ASP 41 H ASP 41 7.069 -15.023 -5.080 336 HA ASP 41 HA ASP 41 6.716 -17.363 -6.620 337 HB2 ASP 41 HB2 ASP 41 8.024 -15.578 -7.537 338 HB3 ASP 41 HB3 ASP 41 9.154 -15.639 -6.190 339 H GLU 42 H GLU 42 8.602 -16.678 -3.753 340 HA GLU 42 HA GLU 42 10.037 -19.099 -3.628 341 HB2 GLU 42 HB2 GLU 42 10.762 -17.168 -2.372 342 HB3 GLU 42 HB3 GLU 42 9.235 -17.101 -1.508 343 HG2 GLU 42 HG2 GLU 42 10.954 -17.981 -0.080 344 HG3 GLU 42 HG3 GLU 42 9.771 -19.235 -0.429 345 H LEU 43 H LEU 43 6.835 -18.079 -2.344 346 HA LEU 43 HA LEU 43 6.440 -20.405 -0.817 347 HB2 LEU 43 HB2 LEU 43 5.254 -18.259 -0.489 348 HB3 LEU 43 HB3 LEU 43 4.418 -18.513 -2.007 349 HG LEU 43 HG LEU 43 3.486 -20.634 -1.028 350 HD11 LEU 43 HD11 LEU 43 5.098 -20.992 0.715 351 HD12 LEU 43 HD12 LEU 43 3.477 -20.845 1.392 352 HD13 LEU 43 HD13 LEU 43 4.607 -19.496 1.507 353 HD21 LEU 43 HD21 LEU 43 1.787 -19.485 0.282 354 HD22 LEU 43 HD22 LEU 43 2.175 -18.601 -1.193 355 HD23 LEU 43 HD23 LEU 43 2.814 -18.054 0.357 356 H ASN 44 H ASN 44 5.944 -19.581 -4.195 357 HA ASN 44 HA ASN 44 4.092 -21.584 -4.876 358 HB2 ASN 44 HB2 ASN 44 6.029 -19.875 -6.363 359 HB3 ASN 44 HB3 ASN 44 5.395 -21.292 -7.190 360 HD21 ASN 44 HD21 ASN 44 4.629 -18.193 -5.812 361 HD22 ASN 44 HD22 ASN 44 3.074 -18.042 -6.549 362 H GLU 45 H GLU 45 7.524 -21.543 -4.612 363 HA GLU 45 HA GLU 45 7.722 -24.282 -5.579 364 HB2 GLU 45 HB2 GLU 45 10.212 -23.958 -5.244 365 HB3 GLU 45 HB3 GLU 45 9.446 -22.933 -6.447 366 HG2 GLU 45 HG2 GLU 45 9.365 -21.117 -4.762 367 HG3 GLU 45 HG3 GLU 45 10.271 -22.153 -3.662 368 H ASN 46 H ASN 46 8.135 -22.521 -2.524 369 HA ASN 46 HA ASN 46 9.128 -24.839 -1.143 370 HB2 ASN 46 HB2 ASN 46 9.826 -22.524 -0.572 371 HB3 ASN 46 HB3 ASN 46 8.186 -22.191 -0.026 372 HD21 ASN 46 HD21 ASN 46 9.073 -21.677 2.015 373 HD22 ASN 46 HD22 ASN 46 9.531 -22.919 3.123 374 H LYS 47 H LYS 47 5.972 -23.309 -1.583 375 HA LYS 47 HA LYS 47 3.874 -23.743 -0.829 376 HB2 LYS 47 HB2 LYS 47 5.022 -26.532 -0.828 377 HB3 LYS 47 HB3 LYS 47 3.310 -26.181 -0.643 378 HG2 LYS 47 HG2 LYS 47 4.954 -25.346 -3.030 379 HG3 LYS 47 HG3 LYS 47 3.996 -26.824 -2.953 380 HD2 LYS 47 HD2 LYS 47 1.941 -25.494 -2.677 381 HD3 LYS 47 HD3 LYS 47 2.886 -24.008 -2.661 382 HE2 LYS 47 HE2 LYS 47 1.799 -24.506 -4.837 383 HE3 LYS 47 HE3 LYS 47 3.547 -24.306 -4.925 384 HZ1 LYS 47 HZ1 LYS 47 3.761 -26.729 -4.953 385 HZ2 LYS 47 HZ2 LYS 47 2.847 -26.173 -6.250 386 HZ3 LYS 47 HZ3 LYS 47 2.076 -26.897 -4.933 387 H SER 48 H SER 48 6.101 -23.492 1.304 388 HA SER 48 HA SER 48 5.293 -24.937 3.590 389 HB2 SER 48 HB2 SER 48 7.462 -23.934 3.580 390 HB3 SER 48 HB3 SER 48 6.783 -22.324 3.350 391 HG SER 48 HG SER 48 6.049 -23.836 5.630 392 H LYS 49 H LYS 49 3.490 -24.789 4.806 393 HA LYS 49 HA LYS 49 1.540 -22.850 4.371 394 HB2 LYS 49 HB2 LYS 49 0.450 -23.784 6.428 395 HB3 LYS 49 HB3 LYS 49 0.857 -24.999 5.232 396 HG2 LYS 49 HG2 LYS 49 2.793 -24.469 7.421 397 HG3 LYS 49 HG3 LYS 49 1.320 -25.365 7.793 398 HD2 LYS 49 HD2 LYS 49 1.863 -26.997 6.062 399 HD3 LYS 49 HD3 LYS 49 3.302 -26.090 5.627 400 HE2 LYS 49 HE2 LYS 49 4.243 -26.463 7.823 401 HE3 LYS 49 HE3 LYS 49 2.794 -27.338 8.318 402 HZ1 LYS 49 HZ1 LYS 49 4.480 -28.906 7.723 403 HZ2 LYS 49 HZ2 LYS 49 4.759 -28.143 6.246 404 HZ3 LYS 49 HZ3 LYS 49 3.302 -28.956 6.507 405 H GLU 50 H GLU 50 4.010 -23.138 6.917 406 HA GLU 50 HA GLU 50 3.244 -20.937 8.434 407 HB2 GLU 50 HB2 GLU 50 6.124 -21.681 7.951 408 HB3 GLU 50 HB3 GLU 50 5.407 -21.007 9.405 409 HG2 GLU 50 HG2 GLU 50 5.604 -23.141 10.103 410 HG3 GLU 50 HG3 GLU 50 4.043 -23.293 9.302 411 H LEU 51 H LEU 51 5.465 -21.119 5.706 412 HA LEU 51 HA LEU 51 6.099 -18.393 5.577 413 HB2 LEU 51 HB2 LEU 51 7.281 -20.163 4.303 414 HB3 LEU 51 HB3 LEU 51 5.872 -20.341 3.275 415 HG LEU 51 HG LEU 51 6.184 -18.001 2.510 416 HD11 LEU 51 HD11 LEU 51 8.742 -18.172 4.095 417 HD12 LEU 51 HD12 LEU 51 7.376 -17.103 4.412 418 HD13 LEU 51 HD13 LEU 51 8.331 -16.900 2.945 419 HD21 LEU 51 HD21 LEU 51 8.534 -19.847 2.117 420 HD22 LEU 51 HD22 LEU 51 8.129 -18.470 1.092 421 HD23 LEU 51 HD23 LEU 51 7.033 -19.848 1.188 422 H GLN 52 H GLN 52 3.459 -20.247 4.139 423 HA GLN 52 HA GLN 52 2.201 -18.304 2.631 424 HB2 GLN 52 HB2 GLN 52 1.407 -20.513 2.450 425 HB3 GLN 52 HB3 GLN 52 1.185 -20.673 4.181 426 HG2 GLN 52 HG2 GLN 52 -0.955 -20.586 3.124 427 HG3 GLN 52 HG3 GLN 52 -0.720 -19.100 4.035 428 HE21 GLN 52 HE21 GLN 52 -2.431 -19.783 1.727 429 HE22 GLN 52 HE22 GLN 52 -2.035 -18.621 0.510 430 H GLU 53 H GLU 53 1.599 -19.100 6.066 431 HA GLU 53 HA GLU 53 -0.337 -17.160 6.512 432 HB2 GLU 53 HB2 GLU 53 1.629 -18.362 8.458 433 HB3 GLU 53 HB3 GLU 53 0.224 -17.412 8.914 434 HG2 GLU 53 HG2 GLU 53 -1.075 -19.189 7.525 435 HG3 GLU 53 HG3 GLU 53 0.369 -20.165 7.794 436 H LYS 54 H LYS 54 3.166 -16.944 6.971 437 HA LYS 54 HA LYS 54 3.171 -14.341 8.051 438 HB2 LYS 54 HB2 LYS 54 5.322 -15.790 6.503 439 HB3 LYS 54 HB3 LYS 54 5.569 -14.294 7.393 440 HG2 LYS 54 HG2 LYS 54 4.728 -16.934 8.577 441 HG3 LYS 54 HG3 LYS 54 6.340 -16.217 8.666 442 HD2 LYS 54 HD2 LYS 54 5.404 -14.295 9.885 443 HD3 LYS 54 HD3 LYS 54 3.808 -15.039 9.818 444 HE2 LYS 54 HE2 LYS 54 4.624 -16.930 11.119 445 HE3 LYS 54 HE3 LYS 54 6.235 -16.212 11.163 446 HZ1 LYS 54 HZ1 LYS 54 3.786 -15.005 12.329 447 HZ2 LYS 54 HZ2 LYS 54 5.337 -14.342 12.382 448 HZ3 LYS 54 HZ3 LYS 54 5.007 -15.783 13.201 449 H ILE 55 H ILE 55 3.483 -15.468 4.755 450 HA ILE 55 HA ILE 55 4.018 -12.938 3.595 451 HB ILE 55 HB ILE 55 2.821 -15.395 2.297 452 HG12 ILE 55 HG12 ILE 55 5.623 -14.249 2.253 453 HG13 ILE 55 HG13 ILE 55 5.113 -15.666 3.163 454 HG21 ILE 55 HG21 ILE 55 2.212 -13.380 1.042 455 HG22 ILE 55 HG22 ILE 55 3.382 -14.354 0.153 456 HG23 ILE 55 HG23 ILE 55 3.908 -12.896 0.995 457 HD11 ILE 55 HD11 ILE 55 4.615 -16.828 1.081 458 HD12 ILE 55 HD12 ILE 55 6.292 -16.277 1.125 459 HD13 ILE 55 HD13 ILE 55 5.099 -15.402 0.165 460 H ILE 56 H ILE 56 0.928 -14.725 3.834 461 HA ILE 56 HA ILE 56 -0.558 -12.644 2.601 462 HB ILE 56 HB ILE 56 -1.362 -14.989 2.663 463 HG12 ILE 56 HG12 ILE 56 -3.287 -13.039 3.948 464 HG13 ILE 56 HG13 ILE 56 -2.919 -13.114 2.229 465 HG21 ILE 56 HG21 ILE 56 -0.738 -15.593 4.924 466 HG22 ILE 56 HG22 ILE 56 -2.463 -15.863 4.676 467 HG23 ILE 56 HG23 ILE 56 -1.912 -14.451 5.578 468 HD11 ILE 56 HD11 ILE 56 -5.031 -14.201 2.741 469 HD12 ILE 56 HD12 ILE 56 -4.208 -15.297 3.853 470 HD13 ILE 56 HD13 ILE 56 -3.855 -15.363 2.126 471 H ARG 57 H ARG 57 0.228 -13.328 5.968 472 HA ARG 57 HA ARG 57 -1.570 -11.472 7.132 473 HB2 ARG 57 HB2 ARG 57 0.657 -13.132 8.026 474 HB3 ARG 57 HB3 ARG 57 0.593 -11.589 8.861 475 HG2 ARG 57 HG2 ARG 57 -0.607 -13.185 10.154 476 HG3 ARG 57 HG3 ARG 57 -1.773 -12.074 9.441 477 HD2 ARG 57 HD2 ARG 57 -2.321 -13.708 7.731 478 HD3 ARG 57 HD3 ARG 57 -1.092 -14.806 8.360 479 HE ARG 57 HE ARG 57 -3.357 -13.962 10.041 480 HH11 ARG 57 HH11 ARG 57 -1.553 -16.513 8.464 481 HH12 ARG 57 HH12 ARG 57 -2.322 -17.795 9.338 482 HH21 ARG 57 HH21 ARG 57 -4.397 -15.646 11.203 483 HH22 ARG 57 HH22 ARG 57 -3.954 -17.290 10.903 484 H GLU 58 H GLU 58 1.881 -11.164 6.249 485 HA GLU 58 HA GLU 58 2.013 -8.469 7.102 486 HB2 GLU 58 HB2 GLU 58 3.821 -10.316 5.717 487 HB3 GLU 58 HB3 GLU 58 4.043 -8.622 5.298 488 HG2 GLU 58 HG2 GLU 58 5.510 -9.227 7.114 489 HG3 GLU 58 HG3 GLU 58 4.297 -8.075 7.669 490 H LEU 59 H LEU 59 1.161 -9.953 4.057 491 HA LEU 59 HA LEU 59 1.308 -7.616 2.475 492 HB2 LEU 59 HB2 LEU 59 1.153 -9.896 1.541 493 HB3 LEU 59 HB3 LEU 59 -0.482 -10.028 2.157 494 HG LEU 59 HG LEU 59 -1.193 -8.216 0.644 495 HD11 LEU 59 HD11 LEU 59 0.912 -7.001 0.488 496 HD12 LEU 59 HD12 LEU 59 0.313 -7.435 -1.112 497 HD13 LEU 59 HD13 LEU 59 1.635 -8.350 -0.387 498 HD21 LEU 59 HD21 LEU 59 -1.379 -10.538 -0.071 499 HD22 LEU 59 HD22 LEU 59 0.260 -10.481 -0.716 500 HD23 LEU 59 HD23 LEU 59 -1.006 -9.485 -1.436 501 H ASP 60 H ASP 60 -1.289 -9.123 4.322 502 HA ASP 60 HA ASP 60 -3.347 -7.357 3.634 503 HB2 ASP 60 HB2 ASP 60 -3.789 -9.517 4.662 504 HB3 ASP 60 HB3 ASP 60 -2.980 -9.005 6.134 505 H VAL 61 H VAL 61 -1.185 -7.306 6.475 506 HA VAL 61 HA VAL 61 -2.374 -5.041 7.657 507 HB VAL 61 HB VAL 61 -0.885 -6.568 8.915 508 HG11 VAL 61 HG11 VAL 61 0.836 -6.916 7.253 509 HG12 VAL 61 HG12 VAL 61 1.538 -6.346 8.770 510 HG13 VAL 61 HG13 VAL 61 1.352 -5.238 7.409 511 HG21 VAL 61 HG21 VAL 61 0.288 -4.856 10.229 512 HG22 VAL 61 HG22 VAL 61 -1.369 -4.390 9.847 513 HG23 VAL 61 HG23 VAL 61 -0.023 -3.680 8.954 514 H VAL 62 H VAL 62 0.230 -5.299 5.288 515 HA VAL 62 HA VAL 62 0.856 -2.512 5.327 516 HB VAL 62 HB VAL 62 1.441 -4.593 3.198 517 HG11 VAL 62 HG11 VAL 62 3.102 -2.999 2.350 518 HG12 VAL 62 HG12 VAL 62 2.557 -1.805 3.529 519 HG13 VAL 62 HG13 VAL 62 1.467 -2.343 2.250 520 HG21 VAL 62 HG21 VAL 62 2.515 -5.076 5.333 521 HG22 VAL 62 HG22 VAL 62 3.170 -3.439 5.388 522 HG23 VAL 62 HG23 VAL 62 3.711 -4.564 4.143 523 H CYS 63 H CYS 63 -1.307 -4.544 3.493 524 HA CYS 63 HA CYS 63 -2.031 -2.600 1.562 525 HB2 CYS 63 HB2 CYS 63 -2.504 -5.027 1.298 526 HB3 CYS 63 HB3 CYS 63 -3.702 -4.909 2.582 527 HG CYS 63 HG CYS 63 -4.425 -2.623 0.380 528 H ALA 64 H ALA 64 -3.298 -3.418 4.794 529 HA ALA 64 HA ALA 64 -5.536 -1.734 4.727 530 HB1 ALA 64 HB1 ALA 64 -3.913 -2.712 7.065 531 HB2 ALA 64 HB2 ALA 64 -5.238 -3.591 6.297 532 HB3 ALA 64 HB3 ALA 64 -5.555 -2.071 7.138 533 H MET 65 H MET 65 -2.244 -1.247 6.054 534 HA MET 65 HA MET 65 -2.775 1.337 7.068 535 HB2 MET 65 HB2 MET 65 -0.424 1.588 7.388 536 HB3 MET 65 HB3 MET 65 -0.798 -0.109 7.666 537 HG2 MET 65 HG2 MET 65 0.023 -0.683 5.474 538 HG3 MET 65 HG3 MET 65 0.325 1.012 5.115 539 HE1 MET 65 HE1 MET 65 1.365 -2.100 7.178 540 HE2 MET 65 HE2 MET 65 0.950 -0.954 8.451 541 HE3 MET 65 HE3 MET 65 2.626 -1.459 8.231 542 H ILE 66 H ILE 66 -1.649 0.210 3.936 543 HA ILE 66 HA ILE 66 -1.089 2.741 2.840 544 HB ILE 66 HB ILE 66 -1.357 -0.013 1.807 545 HG12 ILE 66 HG12 ILE 66 0.672 0.594 0.567 546 HG13 ILE 66 HG13 ILE 66 0.471 2.275 1.038 547 HG21 ILE 66 HG21 ILE 66 -1.522 0.623 -0.550 548 HG22 ILE 66 HG22 ILE 66 -1.834 2.292 -0.073 549 HG23 ILE 66 HG23 ILE 66 -2.986 1.024 0.347 550 HD11 ILE 66 HD11 ILE 66 0.887 1.713 3.344 551 HD12 ILE 66 HD12 ILE 66 2.193 1.094 2.336 552 HD13 ILE 66 HD13 ILE 66 0.953 -0.002 2.948 553 H GLU 67 H GLU 67 -4.068 0.788 2.916 554 HA GLU 67 HA GLU 67 -5.567 2.469 1.213 555 HB2 GLU 67 HB2 GLU 67 -6.253 0.352 3.221 556 HB3 GLU 67 HB3 GLU 67 -7.522 1.321 2.491 557 HG2 GLU 67 HG2 GLU 67 -5.518 -0.124 0.802 558 HG3 GLU 67 HG3 GLU 67 -6.942 -0.945 1.442 559 H GLY 68 H GLY 68 -5.060 2.383 4.725 560 HA2 GLY 68 HA2 GLY 68 -7.055 4.253 5.390 561 HA3 GLY 68 HA3 GLY 68 -5.659 3.829 6.370 562 H ALA 69 H ALA 69 -3.580 4.610 4.797 563 HA ALA 69 HA ALA 69 -3.538 7.405 5.243 564 HB1 ALA 69 HB1 ALA 69 -1.518 6.019 5.368 565 HB2 ALA 69 HB2 ALA 69 -1.319 7.345 4.222 566 HB3 ALA 69 HB3 ALA 69 -1.625 5.710 3.635 567 H GLN 70 H GLN 70 -4.027 5.410 2.391 568 HA GLN 70 HA GLN 70 -3.856 7.526 0.502 569 HB2 GLN 70 HB2 GLN 70 -5.048 4.780 0.379 570 HB3 GLN 70 HB3 GLN 70 -5.331 5.931 -0.917 571 HG2 GLN 70 HG2 GLN 70 -2.855 6.162 -1.146 572 HG3 GLN 70 HG3 GLN 70 -2.688 4.841 0.010 573 HE21 GLN 70 HE21 GLN 70 -5.274 4.982 -2.315 574 HE22 GLN 70 HE22 GLN 70 -4.722 3.668 -3.290 575 H GLY 71 H GLY 71 -6.566 6.059 2.245 576 HA2 GLY 71 HA2 GLY 71 -8.593 7.524 0.903 577 HA3 GLY 71 HA3 GLY 71 -8.757 6.712 2.454 578 H ALA 72 H ALA 72 -6.775 8.067 3.837 579 HA ALA 72 HA ALA 72 -8.236 10.336 4.736 580 HB1 ALA 72 HB1 ALA 72 -6.871 8.992 6.258 581 HB2 ALA 72 HB2 ALA 72 -6.374 10.684 6.280 582 HB3 ALA 72 HB3 ALA 72 -5.415 9.494 5.400 583 H LEU 73 H LEU 73 -5.035 10.022 3.195 584 HA LEU 73 HA LEU 73 -4.536 12.733 2.875 585 HB2 LEU 73 HB2 LEU 73 -2.889 10.879 2.612 586 HB3 LEU 73 HB3 LEU 73 -3.617 10.503 1.066 587 HG LEU 73 HG LEU 73 -2.969 12.751 0.248 588 HD11 LEU 73 HD11 LEU 73 -2.901 13.942 2.356 589 HD12 LEU 73 HD12 LEU 73 -1.345 14.059 1.535 590 HD13 LEU 73 HD13 LEU 73 -1.544 12.952 2.894 591 HD21 LEU 73 HD21 LEU 73 -0.719 11.062 1.334 592 HD22 LEU 73 HD22 LEU 73 -0.570 12.271 0.061 593 HD23 LEU 73 HD23 LEU 73 -1.548 10.829 -0.205 594 H GLU 74 H GLU 74 -6.169 10.452 0.705 595 HA GLU 74 HA GLU 74 -6.534 12.066 -1.515 596 HB2 GLU 74 HB2 GLU 74 -7.882 9.702 -0.368 597 HB3 GLU 74 HB3 GLU 74 -8.847 10.643 -1.497 598 HG2 GLU 74 HG2 GLU 74 -6.073 9.780 -2.200 599 HG3 GLU 74 HG3 GLU 74 -7.439 8.681 -2.377 600 H ARG 75 H ARG 75 -8.701 11.709 1.270 601 HA ARG 75 HA ARG 75 -10.663 13.542 0.456 602 HB2 ARG 75 HB2 ARG 75 -10.833 11.903 2.355 603 HB3 ARG 75 HB3 ARG 75 -9.813 12.976 3.300 604 HG2 ARG 75 HG2 ARG 75 -11.517 14.753 3.053 605 HG3 ARG 75 HG3 ARG 75 -12.552 13.598 2.214 606 HD2 ARG 75 HD2 ARG 75 -11.546 13.395 5.049 607 HD3 ARG 75 HD3 ARG 75 -13.199 13.733 4.540 608 HE ARG 75 HE ARG 75 -12.721 11.350 3.394 609 HH11 ARG 75 HH11 ARG 75 -12.302 12.522 6.670 610 HH12 ARG 75 HH12 ARG 75 -12.514 10.965 7.394 611 HH21 ARG 75 HH21 ARG 75 -13.009 9.265 4.363 612 HH22 ARG 75 HH22 ARG 75 -12.924 9.120 6.086 613 H GLU 76 H GLU 76 -7.713 14.013 2.308 614 HA GLU 76 HA GLU 76 -8.123 16.763 2.874 615 HB2 GLU 76 HB2 GLU 76 -5.635 15.067 2.870 616 HB3 GLU 76 HB3 GLU 76 -5.650 16.754 3.364 617 HG2 GLU 76 HG2 GLU 76 -7.273 14.561 4.625 618 HG3 GLU 76 HG3 GLU 76 -5.766 15.223 5.263 619 H LEU 77 H LEU 77 -5.912 15.210 0.531 620 HA LEU 77 HA LEU 77 -5.119 17.598 -0.641 621 HB2 LEU 77 HB2 LEU 77 -4.299 16.279 -2.549 622 HB3 LEU 77 HB3 LEU 77 -3.819 15.606 -1.011 623 HG LEU 77 HG LEU 77 -5.787 13.965 -1.333 624 HD11 LEU 77 HD11 LEU 77 -6.868 15.156 -3.175 625 HD12 LEU 77 HD12 LEU 77 -6.420 13.512 -3.626 626 HD13 LEU 77 HD13 LEU 77 -5.449 14.877 -4.185 627 HD21 LEU 77 HD21 LEU 77 -3.421 13.813 -3.190 628 HD22 LEU 77 HD22 LEU 77 -4.393 12.458 -2.612 629 HD23 LEU 77 HD23 LEU 77 -3.405 13.382 -1.484 630 H LYS 78 H LYS 78 -8.135 16.027 -0.928 631 HA LYS 78 HA LYS 78 -8.653 16.932 -3.583 632 HB2 LYS 78 HB2 LYS 78 -10.209 15.534 -1.478 633 HB3 LYS 78 HB3 LYS 78 -11.082 16.288 -2.825 634 HG2 LYS 78 HG2 LYS 78 -8.801 14.354 -3.178 635 HG3 LYS 78 HG3 LYS 78 -10.492 13.843 -3.116 636 HD2 LYS 78 HD2 LYS 78 -10.965 14.773 -5.171 637 HD3 LYS 78 HD3 LYS 78 -9.701 15.992 -5.029 638 HE2 LYS 78 HE2 LYS 78 -9.243 14.235 -6.744 639 HE3 LYS 78 HE3 LYS 78 -7.995 14.384 -5.513 640 HZ1 LYS 78 HZ1 LYS 78 -8.689 12.066 -6.131 641 HZ2 LYS 78 HZ2 LYS 78 -10.149 12.353 -5.341 642 HZ3 LYS 78 HZ3 LYS 78 -8.684 12.409 -4.481 643 H ARG 79 H ARG 79 -8.612 18.299 -0.517 644 HA ARG 79 HA ARG 79 -10.584 20.351 -1.041 645 HB2 ARG 79 HB2 ARG 79 -10.204 19.524 1.256 646 HB3 ARG 79 HB3 ARG 79 -8.541 20.080 1.183 647 HG2 ARG 79 HG2 ARG 79 -9.689 21.692 2.445 648 HG3 ARG 79 HG3 ARG 79 -9.484 22.415 0.853 649 HD2 ARG 79 HD2 ARG 79 -11.993 21.041 1.833 650 HD3 ARG 79 HD3 ARG 79 -11.740 22.782 1.812 651 HE ARG 79 HE ARG 79 -12.124 21.037 -0.512 652 HH11 ARG 79 HH11 ARG 79 -11.779 24.288 0.796 653 HH12 ARG 79 HH12 ARG 79 -12.337 25.059 -0.647 654 HH21 ARG 79 HH21 ARG 79 -12.878 22.087 -2.425 655 HH22 ARG 79 HH22 ARG 79 -12.958 23.815 -2.462 656 H THR 80 H THR 80 -7.197 19.830 -1.467 657 HA THR 80 HA THR 80 -6.676 22.650 -2.031 658 HB THR 80 HB THR 80 -4.712 20.356 -2.257 659 HG1 THR 80 HG1 THR 80 -5.987 21.259 -0.058 660 HG21 THR 80 HG21 THR 80 -4.367 23.298 -1.620 661 HG22 THR 80 HG22 THR 80 -4.012 22.542 -3.172 662 HG23 THR 80 HG23 THR 80 -3.067 22.112 -1.745 663 H ASP 81 H ASP 81 -7.593 19.928 -3.404 664 HA ASP 81 HA ASP 81 -6.726 19.763 -6.055 665 HB2 ASP 81 HB2 ASP 81 -8.382 18.159 -5.205 666 HB3 ASP 81 HB3 ASP 81 -9.625 19.403 -5.256 667 H LEU 82 H LEU 82 -6.161 21.767 -6.858 668 HA LEU 82 HA LEU 82 -8.109 23.061 -8.440 669 HB2 LEU 82 HB2 LEU 82 -7.691 25.330 -7.534 670 HB3 LEU 82 HB3 LEU 82 -8.551 24.312 -6.401 671 HG LEU 82 HG LEU 82 -6.193 23.922 -5.345 672 HD11 LEU 82 HD11 LEU 82 -4.890 24.982 -7.107 673 HD12 LEU 82 HD12 LEU 82 -4.671 25.804 -5.562 674 HD13 LEU 82 HD13 LEU 82 -5.708 26.514 -6.798 675 HD21 LEU 82 HD21 LEU 82 -7.641 26.554 -5.094 676 HD22 LEU 82 HD22 LEU 82 -6.490 25.900 -3.932 677 HD23 LEU 82 HD23 LEU 82 -8.014 25.064 -4.228 678 H ASN 83 H ASN 83 -7.064 24.489 -9.918 679 HA ASN 83 HA ASN 83 -5.368 25.264 -11.218 680 HB2 ASN 83 HB2 ASN 83 -4.103 25.614 -9.103 681 HB3 ASN 83 HB3 ASN 83 -3.424 24.002 -9.292 682 HD21 ASN 83 HD21 ASN 83 -3.513 27.214 -10.578 683 HD22 ASN 83 HD22 ASN 83 -2.103 27.073 -11.568 684 H ILE 84 H ILE 84 -4.191 24.519 -12.917 685 HA ILE 84 HA ILE 84 -4.965 22.044 -13.907 686 HB ILE 84 HB ILE 84 -2.708 23.799 -14.881 687 HG12 ILE 84 HG12 ILE 84 -4.793 25.019 -14.830 688 HG13 ILE 84 HG13 ILE 84 -4.426 24.606 -16.501 689 HG21 ILE 84 HG21 ILE 84 -4.214 21.603 -16.309 690 HG22 ILE 84 HG22 ILE 84 -2.532 21.538 -15.786 691 HG23 ILE 84 HG23 ILE 84 -3.020 22.675 -17.041 692 HD11 ILE 84 HD11 ILE 84 -6.393 23.181 -14.718 693 HD12 ILE 84 HD12 ILE 84 -6.030 22.761 -16.390 694 HD13 ILE 84 HD13 ILE 84 -6.787 24.309 -16.011 695 H LEU 85 H LEU 85 -1.920 22.938 -12.265 696 HA LEU 85 HA LEU 85 -0.649 20.496 -13.060 697 HB2 LEU 85 HB2 LEU 85 0.534 22.691 -12.630 698 HB3 LEU 85 HB3 LEU 85 0.220 22.449 -10.927 699 HG LEU 85 HG LEU 85 2.553 21.857 -11.746 700 HD11 LEU 85 HD11 LEU 85 1.000 19.678 -10.368 701 HD12 LEU 85 HD12 LEU 85 1.714 21.089 -9.591 702 HD13 LEU 85 HD13 LEU 85 2.752 19.879 -10.346 703 HD21 LEU 85 HD21 LEU 85 2.873 19.715 -12.830 704 HD22 LEU 85 HD22 LEU 85 1.850 20.750 -13.830 705 HD23 LEU 85 HD23 LEU 85 1.131 19.453 -12.880 706 H GLU 86 H GLU 86 -1.920 21.823 -10.007 707 HA GLU 86 HA GLU 86 -1.400 19.612 -8.392 708 HB2 GLU 86 HB2 GLU 86 -3.532 21.730 -8.268 709 HB3 GLU 86 HB3 GLU 86 -3.425 20.454 -7.065 710 HG2 GLU 86 HG2 GLU 86 -1.163 22.322 -7.709 711 HG3 GLU 86 HG3 GLU 86 -2.348 22.614 -6.438 712 H ARG 87 H ARG 87 -4.277 20.364 -10.328 713 HA ARG 87 HA ARG 87 -5.770 18.144 -9.485 714 HB2 ARG 87 HB2 ARG 87 -6.593 20.226 -10.735 715 HB3 ARG 87 HB3 ARG 87 -6.025 19.442 -12.203 716 HG2 ARG 87 HG2 ARG 87 -7.967 18.092 -10.356 717 HG3 ARG 87 HG3 ARG 87 -8.500 19.227 -11.596 718 HD2 ARG 87 HD2 ARG 87 -7.789 17.858 -13.327 719 HD3 ARG 87 HD3 ARG 87 -6.685 16.957 -12.289 720 HE ARG 87 HE ARG 87 -9.344 16.581 -11.434 721 HH11 ARG 87 HH11 ARG 87 -7.192 15.759 -14.049 722 HH12 ARG 87 HH12 ARG 87 -7.889 14.194 -14.333 723 HH21 ARG 87 HH21 ARG 87 -10.318 14.512 -11.802 724 HH22 ARG 87 HH22 ARG 87 -9.691 13.502 -13.058 725 H PHE 88 H PHE 88 -3.570 18.594 -12.215 726 HA PHE 88 HA PHE 88 -3.890 16.055 -13.406 727 HB2 PHE 88 HB2 PHE 88 -2.887 17.884 -14.634 728 HB3 PHE 88 HB3 PHE 88 -1.596 18.030 -13.451 729 HD1 PHE 88 HD1 PHE 88 -2.961 15.920 -16.149 730 HD2 PHE 88 HD2 PHE 88 0.353 16.690 -13.592 731 HE1 PHE 88 HE1 PHE 88 -1.564 14.422 -17.509 732 HE2 PHE 88 HE2 PHE 88 1.753 15.189 -14.946 733 HZ PHE 88 HZ PHE 88 0.795 14.052 -16.910 734 H ASN 89 H ASN 89 -1.646 17.285 -11.004 735 HA ASN 89 HA ASN 89 0.027 15.033 -10.770 736 HB2 ASN 89 HB2 ASN 89 0.322 17.420 -9.803 737 HB3 ASN 89 HB3 ASN 89 -0.647 16.846 -8.453 738 HD21 ASN 89 HD21 ASN 89 2.092 17.761 -8.446 739 HD22 ASN 89 HD22 ASN 89 3.049 16.444 -7.867 740 H TYR 90 H TYR 90 -2.783 16.021 -8.849 741 HA TYR 90 HA TYR 90 -3.003 13.866 -7.127 742 HB2 TYR 90 HB2 TYR 90 -5.187 15.522 -8.400 743 HB3 TYR 90 HB3 TYR 90 -5.454 14.406 -7.072 744 HD1 TYR 90 HD1 TYR 90 -2.292 15.931 -6.693 745 HD2 TYR 90 HD2 TYR 90 -6.441 16.650 -6.188 746 HE1 TYR 90 HE1 TYR 90 -1.773 17.715 -5.096 747 HE2 TYR 90 HE2 TYR 90 -5.948 18.432 -4.594 748 HH TYR 90 HH TYR 90 -2.857 19.778 -4.245 749 H GLU 91 H GLU 91 -4.399 14.240 -10.339 750 HA GLU 91 HA GLU 91 -5.786 11.796 -10.466 751 HB2 GLU 91 HB2 GLU 91 -6.171 13.580 -12.094 752 HB3 GLU 91 HB3 GLU 91 -4.540 13.377 -12.726 753 HG2 GLU 91 HG2 GLU 91 -5.090 11.103 -13.435 754 HG3 GLU 91 HG3 GLU 91 -6.719 11.294 -12.799 755 H GLU 92 H GLU 92 -2.446 12.623 -11.250 756 HA GLU 92 HA GLU 92 -1.824 10.140 -12.460 757 HB2 GLU 92 HB2 GLU 92 -0.624 12.566 -12.394 758 HB3 GLU 92 HB3 GLU 92 0.350 11.714 -11.208 759 HG2 GLU 92 HG2 GLU 92 -0.146 10.756 -14.015 760 HG3 GLU 92 HG3 GLU 92 1.278 11.660 -13.504 761 H ALA 93 H ALA 93 -1.103 11.473 -9.159 762 HA ALA 93 HA ALA 93 0.204 9.211 -8.217 763 HB1 ALA 93 HB1 ALA 93 -1.448 11.229 -6.695 764 HB2 ALA 93 HB2 ALA 93 0.258 11.397 -7.107 765 HB3 ALA 93 HB3 ALA 93 -0.261 10.126 -6.001 766 H GLN 94 H GLN 94 -3.209 10.099 -8.269 767 HA GLN 94 HA GLN 94 -4.206 7.941 -6.775 768 HB2 GLN 94 HB2 GLN 94 -5.548 9.927 -7.341 769 HB3 GLN 94 HB3 GLN 94 -5.508 9.477 -9.038 770 HG2 GLN 94 HG2 GLN 94 -6.751 7.427 -8.503 771 HG3 GLN 94 HG3 GLN 94 -6.831 7.938 -6.817 772 HE21 GLN 94 HE21 GLN 94 -8.183 9.631 -6.237 773 HE22 GLN 94 HE22 GLN 94 -9.417 10.224 -7.310 774 H THR 95 H THR 95 -3.496 8.345 -10.167 775 HA THR 95 HA THR 95 -4.538 5.914 -11.104 776 HB THR 95 HB THR 95 -2.237 7.549 -12.205 777 HG1 THR 95 HG1 THR 95 -4.168 8.706 -12.198 778 HG21 THR 95 HG21 THR 95 -3.894 5.416 -13.575 779 HG22 THR 95 HG22 THR 95 -2.218 5.232 -13.061 780 HG23 THR 95 HG23 THR 95 -2.628 6.399 -14.318 781 H LEU 96 H LEU 96 -1.262 6.716 -9.877 782 HA LEU 96 HA LEU 96 -0.223 4.138 -10.476 783 HB2 LEU 96 HB2 LEU 96 0.800 6.263 -8.597 784 HB3 LEU 96 HB3 LEU 96 1.677 4.815 -9.047 785 HG LEU 96 HG LEU 96 0.892 7.062 -10.903 786 HD11 LEU 96 HD11 LEU 96 3.573 6.198 -9.835 787 HD12 LEU 96 HD12 LEU 96 2.691 7.659 -9.386 788 HD13 LEU 96 HD13 LEU 96 3.295 7.464 -11.029 789 HD21 LEU 96 HD21 LEU 96 2.291 5.862 -12.550 790 HD22 LEU 96 HD22 LEU 96 0.847 4.962 -12.094 791 HD23 LEU 96 HD23 LEU 96 2.414 4.509 -11.425 792 H SER 97 H SER 97 -1.566 5.662 -7.579 793 HA SER 97 HA SER 97 -0.940 3.577 -5.825 794 HB2 SER 97 HB2 SER 97 -2.895 4.516 -4.458 795 HB3 SER 97 HB3 SER 97 -1.555 5.607 -4.811 796 HG SER 97 HG SER 97 -2.771 6.689 -6.216 797 H LYS 98 H LYS 98 -3.743 4.092 -7.935 798 HA LYS 98 HA LYS 98 -5.276 1.916 -7.056 799 HB2 LYS 98 HB2 LYS 98 -5.137 3.205 -9.785 800 HB3 LYS 98 HB3 LYS 98 -6.394 2.101 -9.260 801 HG2 LYS 98 HG2 LYS 98 -5.825 4.850 -8.172 802 HG3 LYS 98 HG3 LYS 98 -7.203 4.361 -9.156 803 HD2 LYS 98 HD2 LYS 98 -7.935 2.869 -7.363 804 HD3 LYS 98 HD3 LYS 98 -6.555 3.379 -6.389 805 HE2 LYS 98 HE2 LYS 98 -7.382 5.667 -6.376 806 HE3 LYS 98 HE3 LYS 98 -8.738 5.198 -7.397 807 HZ1 LYS 98 HZ1 LYS 98 -9.581 3.816 -5.639 808 HZ2 LYS 98 HZ2 LYS 98 -9.330 5.373 -5.041 809 HZ3 LYS 98 HZ3 LYS 98 -8.239 4.145 -4.663 810 H ILE 99 H ILE 99 -2.676 2.195 -9.408 811 HA ILE 99 HA ILE 99 -2.867 -0.398 -10.496 812 HB ILE 99 HB ILE 99 -0.380 1.303 -10.152 813 HG12 ILE 99 HG12 ILE 99 -2.199 0.985 -12.550 814 HG13 ILE 99 HG13 ILE 99 -2.231 2.357 -11.450 815 HG21 ILE 99 HG21 ILE 99 0.150 -1.055 -10.547 816 HG22 ILE 99 HG22 ILE 99 0.582 -0.064 -11.942 817 HG23 ILE 99 HG23 ILE 99 -0.883 -1.050 -11.977 818 HD11 ILE 99 HD11 ILE 99 0.031 1.548 -13.260 819 HD12 ILE 99 HD12 ILE 99 0.103 2.857 -12.081 820 HD13 ILE 99 HD13 ILE 99 -1.028 2.950 -13.429 821 H LEU 100 H LEU 100 -1.113 0.893 -7.740 822 HA LEU 100 HA LEU 100 0.269 -1.463 -7.033 823 HB2 LEU 100 HB2 LEU 100 -0.571 0.868 -5.316 824 HB3 LEU 100 HB3 LEU 100 0.529 -0.393 -4.801 825 HG LEU 100 HG LEU 100 1.026 1.563 -7.047 826 HD11 LEU 100 HD11 LEU 100 2.735 2.473 -5.558 827 HD12 LEU 100 HD12 LEU 100 2.227 1.357 -4.292 828 HD13 LEU 100 HD13 LEU 100 1.123 2.610 -4.858 829 HD21 LEU 100 HD21 LEU 100 3.299 0.621 -7.051 830 HD22 LEU 100 HD22 LEU 100 2.088 -0.575 -7.500 831 HD23 LEU 100 HD23 LEU 100 2.788 -0.594 -5.881 832 H LEU 101 H LEU 101 -2.808 -0.116 -5.913 833 HA LEU 101 HA LEU 101 -3.422 -2.048 -3.991 834 HB2 LEU 101 HB2 LEU 101 -5.269 -0.446 -5.755 835 HB3 LEU 101 HB3 LEU 101 -5.793 -1.385 -4.373 836 HG LEU 101 HG LEU 101 -3.931 0.986 -4.265 837 HD11 LEU 101 HD11 LEU 101 -5.812 2.123 -3.188 838 HD12 LEU 101 HD12 LEU 101 -6.824 0.708 -3.473 839 HD13 LEU 101 HD13 LEU 101 -6.200 1.633 -4.838 840 HD21 LEU 101 HD21 LEU 101 -3.452 -0.610 -2.498 841 HD22 LEU 101 HD22 LEU 101 -5.161 -0.684 -2.074 842 HD23 LEU 101 HD23 LEU 101 -4.257 0.811 -1.829 843 H LYS 102 H LYS 102 -4.207 -1.963 -7.457 844 HA LYS 102 HA LYS 102 -5.651 -4.364 -7.480 845 HB2 LYS 102 HB2 LYS 102 -4.187 -2.857 -9.626 846 HB3 LYS 102 HB3 LYS 102 -4.973 -4.392 -9.961 847 HG2 LYS 102 HG2 LYS 102 -7.105 -3.407 -9.126 848 HG3 LYS 102 HG3 LYS 102 -6.277 -1.853 -9.003 849 HD2 LYS 102 HD2 LYS 102 -6.373 -3.443 -11.555 850 HD3 LYS 102 HD3 LYS 102 -7.624 -2.281 -11.117 851 HE2 LYS 102 HE2 LYS 102 -4.701 -1.575 -11.245 852 HE3 LYS 102 HE3 LYS 102 -5.782 -1.432 -12.628 853 HZ1 LYS 102 HZ1 LYS 102 -7.144 0.104 -11.392 854 HZ2 LYS 102 HZ2 LYS 102 -5.550 0.659 -11.419 855 HZ3 LYS 102 HZ3 LYS 102 -6.170 -0.063 -10.019 856 H ASP 103 H ASP 103 -2.138 -3.747 -7.988 857 HA ASP 103 HA ASP 103 -1.608 -6.438 -8.650 858 HB2 ASP 103 HB2 ASP 103 -0.134 -4.309 -8.996 859 HB3 ASP 103 HB3 ASP 103 0.452 -4.669 -7.374 860 H LEU 104 H LEU 104 -1.810 -4.694 -5.499 861 HA LEU 104 HA LEU 104 -0.639 -6.669 -3.932 862 HB2 LEU 104 HB2 LEU 104 -2.861 -4.699 -3.347 863 HB3 LEU 104 HB3 LEU 104 -2.088 -5.686 -2.127 864 HG LEU 104 HG LEU 104 -0.672 -3.608 -3.798 865 HD11 LEU 104 HD11 LEU 104 -1.622 -3.480 -0.941 866 HD12 LEU 104 HD12 LEU 104 -2.317 -2.595 -2.299 867 HD13 LEU 104 HD13 LEU 104 -0.668 -2.252 -1.773 868 HD21 LEU 104 HD21 LEU 104 0.747 -5.447 -2.993 869 HD22 LEU 104 HD22 LEU 104 0.224 -5.112 -1.344 870 HD23 LEU 104 HD23 LEU 104 1.152 -3.907 -2.239 871 H LYS 105 H LYS 105 -4.022 -6.086 -4.814 872 HA LYS 105 HA LYS 105 -5.080 -8.351 -3.538 873 HB2 LYS 105 HB2 LYS 105 -6.150 -6.771 -5.873 874 HB3 LYS 105 HB3 LYS 105 -7.064 -7.997 -5.005 875 HG2 LYS 105 HG2 LYS 105 -6.765 -6.677 -2.930 876 HG3 LYS 105 HG3 LYS 105 -5.987 -5.421 -3.890 877 HD2 LYS 105 HD2 LYS 105 -8.009 -5.124 -5.189 878 HD3 LYS 105 HD3 LYS 105 -8.792 -6.442 -4.316 879 HE2 LYS 105 HE2 LYS 105 -7.775 -3.898 -3.054 880 HE3 LYS 105 HE3 LYS 105 -9.452 -4.191 -3.505 881 HZ1 LYS 105 HZ1 LYS 105 -8.999 -4.615 -1.136 882 HZ2 LYS 105 HZ2 LYS 105 -7.921 -5.844 -1.554 883 HZ3 LYS 105 HZ3 LYS 105 -9.557 -5.992 -1.931 884 H GLU 106 H GLU 106 -3.599 -7.985 -6.684 885 HA GLU 106 HA GLU 106 -4.457 -10.501 -7.717 886 HB2 GLU 106 HB2 GLU 106 -3.671 -8.695 -9.181 887 HB3 GLU 106 HB3 GLU 106 -2.081 -8.769 -8.439 888 HG2 GLU 106 HG2 GLU 106 -2.055 -9.860 -10.586 889 HG3 GLU 106 HG3 GLU 106 -1.791 -11.036 -9.302 890 H THR 107 H THR 107 -1.660 -9.332 -5.941 891 HA THR 107 HA THR 107 -0.207 -11.758 -5.949 892 HB THR 107 HB THR 107 -0.085 -9.469 -3.962 893 HG1 THR 107 HG1 THR 107 0.430 -8.568 -5.904 894 HG21 THR 107 HG21 THR 107 1.967 -11.568 -4.686 895 HG22 THR 107 HG22 THR 107 1.041 -11.524 -3.187 896 HG23 THR 107 HG23 THR 107 2.199 -10.244 -3.547 897 H GLU 108 H GLU 108 -2.284 -10.213 -3.471 898 HA GLU 108 HA GLU 108 -2.368 -12.144 -1.533 899 HB2 GLU 108 HB2 GLU 108 -3.525 -9.957 -1.426 900 HB3 GLU 108 HB3 GLU 108 -4.729 -10.556 -2.558 901 HG2 GLU 108 HG2 GLU 108 -5.239 -12.359 -0.873 902 HG3 GLU 108 HG3 GLU 108 -4.236 -11.458 0.261 903 H GLN 109 H GLN 109 -4.407 -11.952 -4.402 904 HA GLN 109 HA GLN 109 -5.899 -14.263 -4.041 905 HB2 GLN 109 HB2 GLN 109 -6.581 -12.701 -5.673 906 HB3 GLN 109 HB3 GLN 109 -5.027 -12.750 -6.486 907 HG2 GLN 109 HG2 GLN 109 -5.483 -14.965 -7.308 908 HG3 GLN 109 HG3 GLN 109 -6.989 -15.021 -6.389 909 HE21 GLN 109 HE21 GLN 109 -5.335 -13.523 -9.097 910 HE22 GLN 109 HE22 GLN 109 -6.763 -12.955 -9.881 911 H LYS 110 H LYS 110 -2.743 -13.812 -5.568 912 HA LYS 110 HA LYS 110 -2.510 -16.456 -6.568 913 HB2 LYS 110 HB2 LYS 110 -1.100 -14.135 -6.873 914 HB3 LYS 110 HB3 LYS 110 -0.008 -15.089 -5.885 915 HG2 LYS 110 HG2 LYS 110 0.689 -15.708 -7.965 916 HG3 LYS 110 HG3 LYS 110 -0.533 -16.945 -7.671 917 HD2 LYS 110 HD2 LYS 110 -0.895 -16.105 -9.871 918 HD3 LYS 110 HD3 LYS 110 -2.180 -15.458 -8.848 919 HE2 LYS 110 HE2 LYS 110 -0.908 -13.357 -8.617 920 HE3 LYS 110 HE3 LYS 110 0.332 -14.008 -9.682 921 HZ1 LYS 110 HZ1 LYS 110 -1.483 -14.232 -11.381 922 HZ2 LYS 110 HZ2 LYS 110 -1.033 -12.659 -10.980 923 HZ3 LYS 110 HZ3 LYS 110 -2.465 -13.301 -10.351 924 H VAL 111 H VAL 111 -1.200 -14.840 -3.706 925 HA VAL 111 HA VAL 111 0.262 -17.031 -2.760 926 HB VAL 111 HB VAL 111 0.552 -14.616 -2.053 927 HG11 VAL 111 HG11 VAL 111 -0.686 -13.779 -0.142 928 HG12 VAL 111 HG12 VAL 111 -1.712 -15.213 -0.176 929 HG13 VAL 111 HG13 VAL 111 -1.747 -14.075 -1.521 930 HG21 VAL 111 HG21 VAL 111 0.404 -16.693 0.110 931 HG22 VAL 111 HG22 VAL 111 1.274 -15.164 0.220 932 HG23 VAL 111 HG23 VAL 111 1.765 -16.374 -0.965 933 H LYS 112 H LYS 112 -3.020 -15.928 -1.970 934 HA LYS 112 HA LYS 112 -3.530 -18.071 -0.191 935 HB2 LYS 112 HB2 LYS 112 -5.720 -17.274 -0.051 936 HB3 LYS 112 HB3 LYS 112 -4.770 -15.840 -0.399 937 HG2 LYS 112 HG2 LYS 112 -5.423 -16.052 -2.783 938 HG3 LYS 112 HG3 LYS 112 -6.492 -17.380 -2.321 939 HD2 LYS 112 HD2 LYS 112 -7.525 -15.757 -0.654 940 HD3 LYS 112 HD3 LYS 112 -6.640 -14.492 -1.508 941 HE2 LYS 112 HE2 LYS 112 -8.922 -14.645 -2.331 942 HE3 LYS 112 HE3 LYS 112 -7.775 -15.104 -3.588 943 HZ1 LYS 112 HZ1 LYS 112 -9.762 -16.561 -3.380 944 HZ2 LYS 112 HZ2 LYS 112 -9.184 -17.083 -1.878 945 HZ3 LYS 112 HZ3 LYS 112 -8.291 -17.377 -3.283 946 H ASP 113 H ASP 113 -3.436 -17.856 -3.595 947 HA ASP 113 HA ASP 113 -5.182 -20.048 -4.162 948 HB2 ASP 113 HB2 ASP 113 -4.583 -18.279 -5.836 949 HB3 ASP 113 HB3 ASP 113 -2.969 -18.977 -5.923 950 H ILE 114 H ILE 114 -1.900 -19.812 -3.056 951 HA ILE 114 HA ILE 114 -1.061 -22.397 -4.040 952 HB ILE 114 HB ILE 114 0.134 -20.306 -2.265 953 HG12 ILE 114 HG12 ILE 114 2.153 -20.826 -3.635 954 HG13 ILE 114 HG13 ILE 114 1.215 -22.038 -4.494 955 HG21 ILE 114 HG21 ILE 114 0.989 -23.190 -2.145 956 HG22 ILE 114 HG22 ILE 114 0.350 -22.209 -0.826 957 HG23 ILE 114 HG23 ILE 114 1.926 -21.833 -1.518 958 HD11 ILE 114 HD11 ILE 114 0.701 -19.085 -4.438 959 HD12 ILE 114 HD12 ILE 114 -0.292 -20.285 -5.270 960 HD13 ILE 114 HD13 ILE 114 1.379 -20.020 -5.772 961 H GLN 115 H GLN 115 -1.654 -24.223 -3.273 962 HA GLN 115 HA GLN 115 -3.227 -24.457 -0.873 963 HB2 GLN 115 HB2 GLN 115 -3.316 -26.875 -1.383 964 HB3 GLN 115 HB3 GLN 115 -3.794 -25.876 -2.748 965 HG2 GLN 115 HG2 GLN 115 -1.685 -26.239 -3.822 966 HG3 GLN 115 HG3 GLN 115 -1.063 -27.085 -2.405 967 HE21 GLN 115 HE21 GLN 115 -1.807 -29.153 -1.948 968 HE22 GLN 115 HE22 GLN 115 -2.604 -30.119 -3.143 969 H THR 116 H THR 116 -2.478 -24.660 1.101 970 HA THR 116 HA THR 116 0.135 -25.945 1.517 971 HB THR 116 HB THR 116 0.392 -24.420 3.490 972 HG1 THR 116 HG1 THR 116 -1.539 -23.554 3.942 973 HG21 THR 116 HG21 THR 116 0.120 -23.067 0.816 974 HG22 THR 116 HG22 THR 116 1.533 -23.962 1.372 975 HG23 THR 116 HG23 THR 116 1.062 -22.464 2.179 976 H GLN 117 H GLN 117 0.338 -27.220 3.461 977 HA GLN 117 HA GLN 117 -1.962 -28.505 4.346 978 HB2 GLN 117 HB2 GLN 117 0.587 -28.274 5.931 979 HB3 GLN 117 HB3 GLN 117 -0.627 -29.523 6.052 980 HG2 GLN 117 HG2 GLN 117 -0.086 -30.262 3.785 981 HG3 GLN 117 HG3 GLN 117 1.182 -29.039 3.709 982 HE21 GLN 117 HE21 GLN 117 0.174 -32.023 5.101 983 HE22 GLN 117 HE22 GLN 117 1.700 -32.479 5.767 Start of MODEL 9 1 H GLN 1 H1 GLN 1 36.009 -6.276 6.932 2 HA GLN 1 HA GLN 1 35.738 -5.299 4.798 3 HB2 GLN 1 HB2 GLN 1 35.149 -6.620 2.849 4 HB3 GLN 1 HB3 GLN 1 36.666 -7.212 3.512 5 HG2 GLN 1 HG2 GLN 1 35.483 -9.065 4.574 6 HG3 GLN 1 HG3 GLN 1 33.959 -8.466 3.925 7 HE21 GLN 1 HE21 GLN 1 33.585 -8.602 1.704 8 HE22 GLN 1 HE22 GLN 1 34.477 -9.682 0.692 9 H GLU 2 H GLU 2 34.209 -6.848 7.123 10 HA GLU 2 HA GLU 2 31.594 -7.219 6.120 11 HB2 GLU 2 HB2 GLU 2 32.577 -6.930 8.962 12 HB3 GLU 2 HB3 GLU 2 30.964 -7.445 8.502 13 HG2 GLU 2 HG2 GLU 2 32.115 -9.417 9.021 14 HG3 GLU 2 HG3 GLU 2 32.078 -9.355 7.262 15 H HIS 3 H HIS 3 33.258 -4.563 7.678 16 HA HIS 3 HA HIS 3 30.769 -3.071 7.851 17 HB2 HIS 3 HB2 HIS 3 33.571 -2.344 8.711 18 HB3 HIS 3 HB3 HIS 3 32.193 -1.263 8.848 19 HD1 HIS 3 HD1 HIS 3 30.858 -1.431 10.951 20 HD2 HIS 3 HD2 HIS 3 33.260 -4.764 10.336 21 HE1 HIS 3 HE1 HIS 3 30.657 -2.797 13.036 22 HE2 HIS 3 HE2 HIS 3 31.929 -4.910 12.542 23 H LYS 4 H LYS 4 30.313 -2.897 5.612 24 HA LYS 4 HA LYS 4 31.960 -1.738 3.724 25 HB2 LYS 4 HB2 LYS 4 29.841 -1.088 2.576 26 HB3 LYS 4 HB3 LYS 4 29.903 -2.780 3.052 27 HG2 LYS 4 HG2 LYS 4 28.447 -2.343 4.932 28 HG3 LYS 4 HG3 LYS 4 28.464 -0.614 4.580 29 HD2 LYS 4 HD2 LYS 4 27.315 -0.959 2.505 30 HD3 LYS 4 HD3 LYS 4 27.457 -2.710 2.660 31 HE2 LYS 4 HE2 LYS 4 25.915 -0.922 4.543 32 HE3 LYS 4 HE3 LYS 4 25.202 -1.859 3.230 33 HZ1 LYS 4 HZ1 LYS 4 26.039 -3.882 4.317 34 HZ2 LYS 4 HZ2 LYS 4 24.963 -3.032 5.301 35 HZ3 LYS 4 HZ3 LYS 4 26.621 -2.953 5.603 36 HA PRO 5 HA PRO 5 32.410 2.519 4.601 37 HB2 PRO 5 HB2 PRO 5 31.283 3.253 1.964 38 HB3 PRO 5 HB3 PRO 5 32.876 3.600 2.642 39 HG2 PRO 5 HG2 PRO 5 32.573 1.762 0.728 40 HG3 PRO 5 HG3 PRO 5 33.727 1.529 2.053 41 HD2 PRO 5 HD2 PRO 5 31.015 0.339 1.665 42 HD3 PRO 5 HD3 PRO 5 32.503 -0.414 2.275 43 H LYS 6 H LYS 6 30.692 2.464 6.159 44 HA LYS 6 HA LYS 6 28.040 3.128 5.741 45 HB2 LYS 6 HB2 LYS 6 29.884 3.692 8.052 46 HB3 LYS 6 HB3 LYS 6 28.184 4.121 8.092 47 HG2 LYS 6 HG2 LYS 6 29.187 1.320 7.613 48 HG3 LYS 6 HG3 LYS 6 28.774 1.958 9.205 49 HD2 LYS 6 HD2 LYS 6 26.878 1.799 6.853 50 HD3 LYS 6 HD3 LYS 6 26.933 0.649 8.189 51 HE2 LYS 6 HE2 LYS 6 26.411 2.481 9.757 52 HE3 LYS 6 HE3 LYS 6 26.310 3.599 8.398 53 HZ1 LYS 6 HZ1 LYS 6 24.569 1.232 8.826 54 HZ2 LYS 6 HZ2 LYS 6 24.472 2.294 7.517 55 HZ3 LYS 6 HZ3 LYS 6 24.126 2.844 9.078 56 H LYS 7 H LYS 7 27.137 4.810 4.875 57 HA LYS 7 HA LYS 7 28.607 7.287 4.531 58 HB2 LYS 7 HB2 LYS 7 26.993 6.014 2.843 59 HB3 LYS 7 HB3 LYS 7 25.754 6.921 3.690 60 HG2 LYS 7 HG2 LYS 7 27.036 9.013 3.127 61 HG3 LYS 7 HG3 LYS 7 28.071 8.013 2.117 62 HD2 LYS 7 HD2 LYS 7 25.080 8.134 1.774 63 HD3 LYS 7 HD3 LYS 7 26.175 9.238 0.951 64 HE2 LYS 7 HE2 LYS 7 25.735 7.516 -0.600 65 HE3 LYS 7 HE3 LYS 7 27.342 7.181 0.030 66 HZ1 LYS 7 HZ1 LYS 7 26.506 5.421 1.343 67 HZ2 LYS 7 HZ2 LYS 7 25.799 5.225 -0.175 68 HZ3 LYS 7 HZ3 LYS 7 24.896 5.879 1.095 69 H ASP 8 H ASP 8 26.519 9.133 4.640 70 HA ASP 8 HA ASP 8 26.316 9.643 7.413 71 HB2 ASP 8 HB2 ASP 8 26.392 11.422 5.672 72 HB3 ASP 8 HB3 ASP 8 24.791 10.930 5.133 73 H ASP 9 H ASP 9 24.186 10.103 8.477 74 HA ASP 9 HA ASP 9 22.606 7.810 8.679 75 HB2 ASP 9 HB2 ASP 9 21.726 10.613 9.394 76 HB3 ASP 9 HB3 ASP 9 21.137 9.109 10.084 77 H PHE 10 H PHE 10 22.212 10.783 6.846 78 HA PHE 10 HA PHE 10 20.771 11.477 5.259 79 HB2 PHE 10 HB2 PHE 10 21.793 9.497 4.096 80 HB3 PHE 10 HB3 PHE 10 20.415 8.538 4.619 81 HD1 PHE 10 HD1 PHE 10 21.344 11.535 2.637 82 HD2 PHE 10 HD2 PHE 10 18.453 8.491 3.345 83 HE1 PHE 10 HE1 PHE 10 20.106 12.245 0.631 84 HE2 PHE 10 HE2 PHE 10 17.214 9.196 1.341 85 HZ PHE 10 HZ PHE 10 18.039 11.076 -0.018 86 H ARG 11 H ARG 11 19.417 12.146 6.999 87 HA ARG 11 HA ARG 11 17.142 10.571 7.758 88 HB2 ARG 11 HB2 ARG 11 17.584 13.536 8.145 89 HB3 ARG 11 HB3 ARG 11 16.405 12.541 8.984 90 HG2 ARG 11 HG2 ARG 11 19.394 12.245 9.196 91 HG3 ARG 11 HG3 ARG 11 18.363 13.070 10.363 92 HD2 ARG 11 HD2 ARG 11 17.167 10.969 10.778 93 HD3 ARG 11 HD3 ARG 11 18.201 10.152 9.606 94 HE ARG 11 HE ARG 11 19.884 11.340 11.449 95 HH11 ARG 11 HH11 ARG 11 17.394 8.861 11.492 96 HH12 ARG 11 HH12 ARG 11 18.098 8.005 12.816 97 HH21 ARG 11 HH21 ARG 11 20.818 10.197 13.201 98 HH22 ARG 11 HH22 ARG 11 20.054 8.767 13.800 99 H ASN 12 H ASN 12 15.076 10.676 7.029 100 HA ASN 12 HA ASN 12 14.559 11.649 4.421 101 HB2 ASN 12 HB2 ASN 12 13.336 9.742 5.400 102 HB3 ASN 12 HB3 ASN 12 12.637 10.806 6.609 103 HD21 ASN 12 HD21 ASN 12 13.024 11.656 3.187 104 HD22 ASN 12 HD22 ASN 12 11.336 11.673 2.840 105 H GLU 13 H GLU 13 13.915 13.607 3.763 106 HA GLU 13 HA GLU 13 14.025 15.796 5.488 107 HB2 GLU 13 HB2 GLU 13 12.912 17.052 3.528 108 HB3 GLU 13 HB3 GLU 13 14.501 16.351 3.287 109 HG2 GLU 13 HG2 GLU 13 12.012 14.882 2.485 110 HG3 GLU 13 HG3 GLU 13 12.749 16.093 1.435 111 H PHE 14 H PHE 14 11.224 14.156 4.113 112 HA PHE 14 HA PHE 14 9.003 14.295 4.520 113 HB2 PHE 14 HB2 PHE 14 9.891 12.938 6.429 114 HB3 PHE 14 HB3 PHE 14 9.899 14.402 7.405 115 HD1 PHE 14 HD1 PHE 14 7.556 12.479 5.224 116 HD2 PHE 14 HD2 PHE 14 8.088 14.758 8.778 117 HE1 PHE 14 HE1 PHE 14 5.210 12.064 5.836 118 HE2 PHE 14 HE2 PHE 14 5.742 14.345 9.397 119 HZ PHE 14 HZ PHE 14 4.301 12.998 7.924 120 H ASP 15 H ASP 15 8.984 16.431 3.551 121 HA ASP 15 HA ASP 15 8.882 18.757 5.185 122 HB2 ASP 15 HB2 ASP 15 7.948 18.319 2.347 123 HB3 ASP 15 HB3 ASP 15 8.111 19.890 3.131 124 H HIS 16 H HIS 16 6.647 16.343 4.342 125 HA HIS 16 HA HIS 16 4.541 15.887 5.016 126 HB2 HIS 16 HB2 HIS 16 5.288 16.788 7.220 127 HB3 HIS 16 HB3 HIS 16 4.745 18.384 6.728 128 HD1 HIS 16 HD1 HIS 16 3.335 14.944 7.527 129 HD2 HIS 16 HD2 HIS 16 2.082 18.895 7.230 130 HE1 HIS 16 HE1 HIS 16 0.976 14.970 8.379 131 HE2 HIS 16 HE2 HIS 16 0.189 17.334 8.037 132 H LEU 17 H LEU 17 4.706 17.022 2.512 133 HA LEU 17 HA LEU 17 2.534 18.956 2.455 134 HB2 LEU 17 HB2 LEU 17 4.595 18.032 0.482 135 HB3 LEU 17 HB3 LEU 17 3.120 18.770 -0.097 136 HG LEU 17 HG LEU 17 4.937 20.360 -0.057 137 HD11 LEU 17 HD11 LEU 17 2.670 21.173 0.392 138 HD12 LEU 17 HD12 LEU 17 3.890 22.142 1.214 139 HD13 LEU 17 HD13 LEU 17 2.941 20.967 2.124 140 HD21 LEU 17 HD21 LEU 17 5.974 21.082 2.027 141 HD22 LEU 17 HD22 LEU 17 6.291 19.382 1.693 142 HD23 LEU 17 HD23 LEU 17 5.089 19.833 2.902 143 H LEU 18 H LEU 18 1.032 18.459 0.469 144 HA LEU 18 HA LEU 18 -0.360 16.099 1.108 145 HB2 LEU 18 HB2 LEU 18 -0.614 17.845 -1.335 146 HB3 LEU 18 HB3 LEU 18 -1.790 16.659 -0.808 147 HG LEU 18 HG LEU 18 -1.007 19.120 0.760 148 HD11 LEU 18 HD11 LEU 18 -2.167 19.809 -1.209 149 HD12 LEU 18 HD12 LEU 18 -3.279 19.915 0.156 150 HD13 LEU 18 HD13 LEU 18 -3.399 18.570 -0.978 151 HD21 LEU 18 HD21 LEU 18 -3.184 17.076 1.194 152 HD22 LEU 18 HD22 LEU 18 -2.992 18.568 2.112 153 HD23 LEU 18 HD23 LEU 18 -1.755 17.315 2.201 154 H ILE 19 H ILE 19 0.857 16.851 -2.158 155 HA ILE 19 HA ILE 19 0.890 14.158 -2.956 156 HB ILE 19 HB ILE 19 2.272 16.563 -4.162 157 HG12 ILE 19 HG12 ILE 19 -0.158 16.689 -4.155 158 HG13 ILE 19 HG13 ILE 19 0.426 16.433 -5.796 159 HG21 ILE 19 HG21 ILE 19 1.908 13.821 -5.372 160 HG22 ILE 19 HG22 ILE 19 3.443 14.525 -4.860 161 HG23 ILE 19 HG23 ILE 19 2.546 15.239 -6.202 162 HD11 ILE 19 HD11 ILE 19 -0.173 14.089 -5.670 163 HD12 ILE 19 HD12 ILE 19 -1.565 15.098 -5.276 164 HD13 ILE 19 HD13 ILE 19 -0.683 14.286 -3.997 165 H GLU 20 H GLU 20 3.236 16.037 -1.275 166 HA GLU 20 HA GLU 20 5.538 14.538 -1.843 167 HB2 GLU 20 HB2 GLU 20 5.325 16.774 -0.635 168 HB3 GLU 20 HB3 GLU 20 4.986 15.840 0.814 169 HG2 GLU 20 HG2 GLU 20 7.292 16.480 0.759 170 HG3 GLU 20 HG3 GLU 20 7.169 14.726 0.553 171 H GLN 21 H GLN 21 3.115 14.209 0.742 172 HA GLN 21 HA GLN 21 4.369 11.920 1.892 173 HB2 GLN 21 HB2 GLN 21 1.543 12.953 2.202 174 HB3 GLN 21 HB3 GLN 21 2.269 11.685 3.182 175 HG2 GLN 21 HG2 GLN 21 3.905 13.256 4.047 176 HG3 GLN 21 HG3 GLN 21 3.246 14.529 3.021 177 HE21 GLN 21 HE21 GLN 21 1.212 15.382 3.499 178 HE22 GLN 21 HE22 GLN 21 0.491 15.214 5.065 179 H ALA 22 H ALA 22 2.205 12.454 -0.739 180 HA ALA 22 HA ALA 22 1.062 9.817 -0.776 181 HB1 ALA 22 HB1 ALA 22 1.094 11.940 -2.919 182 HB2 ALA 22 HB2 ALA 22 -0.149 11.750 -1.683 183 HB3 ALA 22 HB3 ALA 22 0.085 10.495 -2.900 184 H ASN 23 H ASN 23 3.479 11.559 -2.622 185 HA ASN 23 HA ASN 23 4.067 9.384 -4.367 186 HB2 ASN 23 HB2 ASN 23 5.812 10.635 -5.323 187 HB3 ASN 23 HB3 ASN 23 4.648 11.849 -4.817 188 HD21 ASN 23 HD21 ASN 23 5.243 13.341 -3.344 189 HD22 ASN 23 HD22 ASN 23 6.832 13.463 -2.659 190 H HIS 24 H HIS 24 5.283 10.332 -1.236 191 HA HIS 24 HA HIS 24 7.491 8.541 -1.290 192 HB2 HIS 24 HB2 HIS 24 7.253 10.500 0.296 193 HB3 HIS 24 HB3 HIS 24 6.078 9.539 1.186 194 HD1 HIS 24 HD1 HIS 24 7.151 8.602 3.212 195 HD2 HIS 24 HD2 HIS 24 9.752 8.667 -0.028 196 HE1 HIS 24 HE1 HIS 24 9.302 7.613 4.051 197 HE2 HIS 24 HE2 HIS 24 10.898 7.787 2.114 198 H ALA 25 H ALA 25 4.104 8.236 -0.074 199 HA ALA 25 HA ALA 25 4.436 5.702 1.016 200 HB1 ALA 25 HB1 ALA 25 2.006 5.582 0.936 201 HB2 ALA 25 HB2 ALA 25 1.965 6.967 -0.157 202 HB3 ALA 25 HB3 ALA 25 2.541 7.168 1.497 203 H ILE 26 H ILE 26 3.341 6.686 -2.249 204 HA ILE 26 HA ILE 26 2.874 4.036 -3.119 205 HB ILE 26 HB ILE 26 2.878 4.918 -5.426 206 HG12 ILE 26 HG12 ILE 26 3.641 7.538 -4.130 207 HG13 ILE 26 HG13 ILE 26 4.689 6.576 -5.164 208 HG21 ILE 26 HG21 ILE 26 0.987 6.461 -5.158 209 HG22 ILE 26 HG22 ILE 26 1.365 6.610 -3.443 210 HG23 ILE 26 HG23 ILE 26 0.855 5.055 -4.099 211 HD11 ILE 26 HD11 ILE 26 3.145 6.929 -7.035 212 HD12 ILE 26 HD12 ILE 26 3.746 8.453 -6.381 213 HD13 ILE 26 HD13 ILE 26 2.115 7.906 -5.990 214 H GLU 27 H GLU 27 5.759 6.028 -3.086 215 HA GLU 27 HA GLU 27 7.395 4.418 -4.712 216 HB2 GLU 27 HB2 GLU 27 8.179 6.595 -4.073 217 HB3 GLU 27 HB3 GLU 27 8.037 6.208 -2.364 218 HG2 GLU 27 HG2 GLU 27 9.840 4.580 -2.579 219 HG3 GLU 27 HG3 GLU 27 9.978 4.963 -4.292 220 H LYS 28 H LYS 28 6.778 4.393 -1.218 221 HA LYS 28 HA LYS 28 8.422 2.178 -0.652 222 HB2 LYS 28 HB2 LYS 28 7.644 3.693 1.101 223 HB3 LYS 28 HB3 LYS 28 5.982 3.193 0.823 224 HG2 LYS 28 HG2 LYS 28 6.437 0.985 1.629 225 HG3 LYS 28 HG3 LYS 28 8.165 1.319 1.718 226 HD2 LYS 28 HD2 LYS 28 6.061 2.762 3.330 227 HD3 LYS 28 HD3 LYS 28 7.001 1.394 3.924 228 HE2 LYS 28 HE2 LYS 28 8.103 4.057 3.016 229 HE3 LYS 28 HE3 LYS 28 7.956 3.506 4.681 230 HZ1 LYS 28 HZ1 LYS 28 9.639 2.207 2.602 231 HZ2 LYS 28 HZ2 LYS 28 9.532 1.747 4.221 232 HZ3 LYS 28 HZ3 LYS 28 10.208 3.236 3.812 233 H GLY 29 H GLY 29 4.981 2.463 -1.583 234 HA2 GLY 29 HA2 GLY 29 4.248 -0.195 -1.250 235 HA3 GLY 29 HA3 GLY 29 3.535 0.941 -2.384 236 H GLU 30 H GLU 30 5.694 1.469 -4.025 237 HA GLU 30 HA GLU 30 5.610 -0.572 -5.900 238 HB2 GLU 30 HB2 GLU 30 6.208 1.659 -6.533 239 HB3 GLU 30 HB3 GLU 30 7.556 1.683 -5.412 240 HG2 GLU 30 HG2 GLU 30 8.633 -0.096 -6.802 241 HG3 GLU 30 HG3 GLU 30 7.339 0.130 -7.978 242 H HIS 31 H HIS 31 8.014 0.220 -3.460 243 HA HIS 31 HA HIS 31 9.878 -1.775 -4.210 244 HB2 HIS 31 HB2 HIS 31 9.587 -0.284 -1.595 245 HB3 HIS 31 HB3 HIS 31 10.969 -1.277 -2.037 246 HD1 HIS 31 HD1 HIS 31 11.738 1.489 -1.434 247 HD2 HIS 31 HD2 HIS 31 10.363 0.422 -5.213 248 HE1 HIS 31 HE1 HIS 31 12.556 3.281 -2.985 249 HE2 HIS 31 HE2 HIS 31 11.525 2.720 -5.214 250 H GLN 32 H GLN 32 7.418 -1.692 -1.630 251 HA GLN 32 HA GLN 32 8.161 -4.270 -0.663 252 HB2 GLN 32 HB2 GLN 32 6.138 -4.143 0.749 253 HB3 GLN 32 HB3 GLN 32 7.135 -2.710 0.865 254 HG2 GLN 32 HG2 GLN 32 4.972 -1.874 0.821 255 HG3 GLN 32 HG3 GLN 32 5.534 -1.666 -0.831 256 HE21 GLN 32 HE21 GLN 32 4.533 -4.774 0.462 257 HE22 GLN 32 HE22 GLN 32 3.097 -4.902 -0.485 258 H LEU 33 H LEU 33 5.998 -3.191 -3.158 259 HA LEU 33 HA LEU 33 4.533 -5.618 -3.338 260 HB2 LEU 33 HB2 LEU 33 3.651 -3.538 -4.254 261 HB3 LEU 33 HB3 LEU 33 4.988 -3.425 -5.371 262 HG LEU 33 HG LEU 33 2.615 -4.234 -6.170 263 HD11 LEU 33 HD11 LEU 33 5.165 -5.574 -7.042 264 HD12 LEU 33 HD12 LEU 33 4.542 -4.028 -7.616 265 HD13 LEU 33 HD13 LEU 33 3.665 -5.518 -7.968 266 HD21 LEU 33 HD21 LEU 33 3.831 -6.857 -5.264 267 HD22 LEU 33 HD22 LEU 33 2.351 -6.656 -6.201 268 HD23 LEU 33 HD23 LEU 33 2.425 -6.076 -4.539 269 H LEU 34 H LEU 34 7.356 -4.352 -5.147 270 HA LEU 34 HA LEU 34 7.586 -6.706 -6.735 271 HB2 LEU 34 HB2 LEU 34 9.792 -5.844 -7.403 272 HB3 LEU 34 HB3 LEU 34 8.544 -4.632 -7.546 273 HG LEU 34 HG LEU 34 9.437 -3.854 -5.198 274 HD11 LEU 34 HD11 LEU 34 11.839 -5.285 -6.325 275 HD12 LEU 34 HD12 LEU 34 10.973 -5.707 -4.847 276 HD13 LEU 34 HD13 LEU 34 11.847 -4.180 -4.950 277 HD21 LEU 34 HD21 LEU 34 9.482 -2.505 -7.214 278 HD22 LEU 34 HD22 LEU 34 10.914 -3.363 -7.780 279 HD23 LEU 34 HD23 LEU 34 11.005 -2.347 -6.339 280 H TYR 35 H TYR 35 8.516 -5.831 -3.623 281 HA TYR 35 HA TYR 35 10.587 -7.750 -3.177 282 HB2 TYR 35 HB2 TYR 35 10.421 -5.790 -1.735 283 HB3 TYR 35 HB3 TYR 35 8.819 -6.288 -1.203 284 HD1 TYR 35 HD1 TYR 35 12.406 -7.246 -1.124 285 HD2 TYR 35 HD2 TYR 35 8.564 -7.753 0.630 286 HE1 TYR 35 HE1 TYR 35 13.425 -8.489 0.737 287 HE2 TYR 35 HE2 TYR 35 9.569 -8.996 2.493 288 HH TYR 35 HH TYR 35 11.582 -10.270 2.993 289 H LEU 36 H LEU 36 7.140 -7.630 -2.134 290 HA LEU 36 HA LEU 36 7.128 -10.218 -1.068 291 HB2 LEU 36 HB2 LEU 36 4.878 -8.465 -2.027 292 HB3 LEU 36 HB3 LEU 36 4.652 -9.977 -1.169 293 HG LEU 36 HG LEU 36 6.018 -7.519 -0.071 294 HD11 LEU 36 HD11 LEU 36 3.340 -8.745 0.559 295 HD12 LEU 36 HD12 LEU 36 3.618 -7.223 -0.288 296 HD13 LEU 36 HD13 LEU 36 4.075 -7.386 1.407 297 HD21 LEU 36 HD21 LEU 36 5.379 -10.164 1.240 298 HD22 LEU 36 HD22 LEU 36 6.006 -8.738 2.063 299 HD23 LEU 36 HD23 LEU 36 6.987 -9.555 0.850 300 H GLN 37 H GLN 37 6.584 -9.032 -4.329 301 HA GLN 37 HA GLN 37 5.326 -11.269 -5.418 302 HB2 GLN 37 HB2 GLN 37 7.271 -9.314 -6.631 303 HB3 GLN 37 HB3 GLN 37 6.546 -10.609 -7.569 304 HG2 GLN 37 HG2 GLN 37 4.327 -9.716 -7.106 305 HG3 GLN 37 HG3 GLN 37 5.043 -8.436 -6.129 306 HE21 GLN 37 HE21 GLN 37 3.395 -8.269 -8.540 307 HE22 GLN 37 HE22 GLN 37 4.326 -7.372 -9.681 308 H HIS 38 H HIS 38 8.725 -10.610 -4.759 309 HA HIS 38 HA HIS 38 9.843 -12.953 -5.927 310 HB2 HIS 38 HB2 HIS 38 11.134 -10.920 -5.254 311 HB3 HIS 38 HB3 HIS 38 10.910 -11.406 -3.573 312 HD1 HIS 38 HD1 HIS 38 12.059 -13.653 -2.843 313 HD2 HIS 38 HD2 HIS 38 13.103 -12.278 -6.616 314 HE1 HIS 38 HE1 HIS 38 14.005 -15.028 -3.547 315 HE2 HIS 38 HE2 HIS 38 14.538 -14.290 -5.883 316 H GLN 39 H GLN 39 8.429 -12.294 -2.729 317 HA GLN 39 HA GLN 39 9.333 -14.774 -1.684 318 HB2 GLN 39 HB2 GLN 39 7.322 -12.778 -0.669 319 HB3 GLN 39 HB3 GLN 39 7.807 -14.230 0.205 320 HG2 GLN 39 HG2 GLN 39 9.515 -11.869 -0.530 321 HG3 GLN 39 HG3 GLN 39 9.086 -12.442 1.083 322 HE21 GLN 39 HE21 GLN 39 10.099 -14.295 1.898 323 HE22 GLN 39 HE22 GLN 39 11.551 -14.928 1.215 324 H LEU 40 H LEU 40 6.260 -13.547 -2.981 325 HA LEU 40 HA LEU 40 4.713 -15.789 -2.761 326 HB2 LEU 40 HB2 LEU 40 3.848 -13.735 -3.664 327 HB3 LEU 40 HB3 LEU 40 4.940 -13.818 -5.032 328 HG LEU 40 HG LEU 40 3.729 -15.821 -5.844 329 HD11 LEU 40 HD11 LEU 40 1.824 -15.214 -3.591 330 HD12 LEU 40 HD12 LEU 40 2.868 -16.628 -3.713 331 HD13 LEU 40 HD13 LEU 40 1.563 -16.393 -4.875 332 HD21 LEU 40 HD21 LEU 40 1.991 -13.400 -5.376 333 HD22 LEU 40 HD22 LEU 40 1.744 -14.629 -6.617 334 HD23 LEU 40 HD23 LEU 40 3.169 -13.592 -6.675 335 H ASP 41 H ASP 41 7.159 -15.075 -5.258 336 HA ASP 41 HA ASP 41 6.835 -17.339 -6.839 337 HB2 ASP 41 HB2 ASP 41 8.245 -15.392 -7.435 338 HB3 ASP 41 HB3 ASP 41 9.413 -15.889 -6.215 339 H GLU 42 H GLU 42 8.759 -16.814 -3.979 340 HA GLU 42 HA GLU 42 9.986 -19.377 -3.893 341 HB2 GLU 42 HB2 GLU 42 10.881 -17.413 -2.717 342 HB3 GLU 42 HB3 GLU 42 9.456 -17.367 -1.697 343 HG2 GLU 42 HG2 GLU 42 10.066 -19.481 -0.699 344 HG3 GLU 42 HG3 GLU 42 11.466 -19.606 -1.768 345 H LEU 43 H LEU 43 7.228 -17.958 -2.285 346 HA LEU 43 HA LEU 43 6.367 -20.048 -0.665 347 HB2 LEU 43 HB2 LEU 43 5.537 -17.692 -0.669 348 HB3 LEU 43 HB3 LEU 43 4.606 -18.058 -2.101 349 HG LEU 43 HG LEU 43 4.158 -19.543 0.484 350 HD11 LEU 43 HD11 LEU 43 3.000 -16.921 -0.427 351 HD12 LEU 43 HD12 LEU 43 3.903 -17.239 1.056 352 HD13 LEU 43 HD13 LEU 43 2.292 -17.922 0.835 353 HD21 LEU 43 HD21 LEU 43 1.927 -19.883 -0.461 354 HD22 LEU 43 HD22 LEU 43 3.172 -20.498 -1.549 355 HD23 LEU 43 HD23 LEU 43 2.385 -18.959 -1.893 356 H ASN 44 H ASN 44 5.378 -19.370 -3.980 357 HA ASN 44 HA ASN 44 3.469 -21.515 -4.099 358 HB2 ASN 44 HB2 ASN 44 3.220 -21.168 -6.453 359 HB3 ASN 44 HB3 ASN 44 3.361 -19.600 -5.674 360 HD21 ASN 44 HD21 ASN 44 4.892 -18.263 -6.324 361 HD22 ASN 44 HD22 ASN 44 6.072 -18.632 -7.535 362 H GLU 45 H GLU 45 6.796 -21.378 -4.700 363 HA GLU 45 HA GLU 45 6.933 -24.043 -5.829 364 HB2 GLU 45 HB2 GLU 45 8.520 -22.392 -6.602 365 HB3 GLU 45 HB3 GLU 45 9.073 -22.092 -4.962 366 HG2 GLU 45 HG2 GLU 45 10.039 -24.298 -4.847 367 HG3 GLU 45 HG3 GLU 45 9.398 -24.693 -6.440 368 H ASN 46 H ASN 46 7.657 -22.473 -2.777 369 HA ASN 46 HA ASN 46 8.789 -24.816 -1.559 370 HB2 ASN 46 HB2 ASN 46 9.442 -22.446 -1.016 371 HB3 ASN 46 HB3 ASN 46 7.903 -22.277 -0.184 372 HD21 ASN 46 HD21 ASN 46 9.199 -21.775 1.666 373 HD22 ASN 46 HD22 ASN 46 9.877 -23.051 2.611 374 H LYS 47 H LYS 47 5.505 -23.420 -1.714 375 HA LYS 47 HA LYS 47 3.551 -23.987 -0.877 376 HB2 LYS 47 HB2 LYS 47 4.856 -26.687 -1.041 377 HB3 LYS 47 HB3 LYS 47 3.155 -26.474 -0.651 378 HG2 LYS 47 HG2 LYS 47 4.482 -25.509 -3.184 379 HG3 LYS 47 HG3 LYS 47 3.532 -26.985 -3.032 380 HD2 LYS 47 HD2 LYS 47 1.551 -25.630 -2.413 381 HD3 LYS 47 HD3 LYS 47 2.511 -24.164 -2.579 382 HE2 LYS 47 HE2 LYS 47 1.150 -24.558 -4.553 383 HE3 LYS 47 HE3 LYS 47 2.869 -24.638 -4.930 384 HZ1 LYS 47 HZ1 LYS 47 1.119 -26.994 -4.487 385 HZ2 LYS 47 HZ2 LYS 47 2.746 -27.026 -4.954 386 HZ3 LYS 47 HZ3 LYS 47 1.577 -26.392 -5.998 387 H SER 48 H SER 48 5.819 -23.571 1.233 388 HA SER 48 HA SER 48 5.063 -25.126 3.472 389 HB2 SER 48 HB2 SER 48 6.557 -22.519 3.213 390 HB3 SER 48 HB3 SER 48 6.413 -23.448 4.714 391 HG SER 48 HG SER 48 7.200 -25.023 2.662 392 H LYS 49 H LYS 49 3.352 -24.971 4.748 393 HA LYS 49 HA LYS 49 1.279 -23.149 4.437 394 HB2 LYS 49 HB2 LYS 49 0.494 -24.158 6.612 395 HB3 LYS 49 HB3 LYS 49 0.835 -25.317 5.335 396 HG2 LYS 49 HG2 LYS 49 3.175 -25.470 6.425 397 HG3 LYS 49 HG3 LYS 49 2.393 -24.728 7.817 398 HD2 LYS 49 HD2 LYS 49 0.891 -26.529 8.035 399 HD3 LYS 49 HD3 LYS 49 1.342 -27.169 6.452 400 HE2 LYS 49 HE2 LYS 49 2.403 -28.497 8.165 401 HE3 LYS 49 HE3 LYS 49 3.617 -27.561 7.285 402 HZ1 LYS 49 HZ1 LYS 49 3.844 -27.624 9.780 403 HZ2 LYS 49 HZ2 LYS 49 2.478 -26.634 9.864 404 HZ3 LYS 49 HZ3 LYS 49 3.876 -26.089 9.082 405 H GLU 50 H GLU 50 3.804 -23.301 6.947 406 HA GLU 50 HA GLU 50 2.895 -21.096 8.440 407 HB2 GLU 50 HB2 GLU 50 5.657 -22.282 8.194 408 HB3 GLU 50 HB3 GLU 50 5.233 -21.034 9.358 409 HG2 GLU 50 HG2 GLU 50 4.206 -22.478 10.719 410 HG3 GLU 50 HG3 GLU 50 3.456 -23.354 9.386 411 H LEU 51 H LEU 51 5.305 -21.268 5.837 412 HA LEU 51 HA LEU 51 5.966 -18.561 5.733 413 HB2 LEU 51 HB2 LEU 51 7.108 -20.381 4.469 414 HB3 LEU 51 HB3 LEU 51 5.715 -20.491 3.413 415 HG LEU 51 HG LEU 51 6.152 -18.144 2.696 416 HD11 LEU 51 HD11 LEU 51 7.399 -17.393 4.644 417 HD12 LEU 51 HD12 LEU 51 8.341 -17.178 3.168 418 HD13 LEU 51 HD13 LEU 51 8.702 -18.518 4.259 419 HD21 LEU 51 HD21 LEU 51 8.033 -18.709 1.255 420 HD22 LEU 51 HD22 LEU 51 6.899 -20.055 1.373 421 HD23 LEU 51 HD23 LEU 51 8.410 -20.093 2.278 422 H GLN 52 H GLN 52 3.343 -20.362 4.235 423 HA GLN 52 HA GLN 52 2.129 -18.427 2.678 424 HB2 GLN 52 HB2 GLN 52 1.402 -20.720 2.621 425 HB3 GLN 52 HB3 GLN 52 0.962 -20.679 4.318 426 HG2 GLN 52 HG2 GLN 52 -1.073 -20.576 3.240 427 HG3 GLN 52 HG3 GLN 52 -0.737 -18.885 3.606 428 HE21 GLN 52 HE21 GLN 52 -2.427 -20.061 1.558 429 HE22 GLN 52 HE22 GLN 52 -1.826 -19.450 0.056 430 H GLU 53 H GLU 53 1.546 -19.207 6.073 431 HA GLU 53 HA GLU 53 -0.452 -17.329 6.576 432 HB2 GLU 53 HB2 GLU 53 1.567 -18.536 8.468 433 HB3 GLU 53 HB3 GLU 53 0.124 -17.667 8.964 434 HG2 GLU 53 HG2 GLU 53 -1.260 -19.363 7.840 435 HG3 GLU 53 HG3 GLU 53 0.206 -20.244 7.408 436 H LYS 54 H LYS 54 3.063 -17.042 6.995 437 HA LYS 54 HA LYS 54 2.940 -14.440 8.135 438 HB2 LYS 54 HB2 LYS 54 5.293 -15.617 6.637 439 HB3 LYS 54 HB3 LYS 54 5.336 -14.331 7.832 440 HG2 LYS 54 HG2 LYS 54 4.687 -17.232 8.331 441 HG3 LYS 54 HG3 LYS 54 6.158 -16.384 8.799 442 HD2 LYS 54 HD2 LYS 54 4.769 -14.900 10.238 443 HD3 LYS 54 HD3 LYS 54 3.366 -15.893 9.839 444 HE2 LYS 54 HE2 LYS 54 5.871 -16.782 11.272 445 HE3 LYS 54 HE3 LYS 54 4.266 -16.589 11.973 446 HZ1 LYS 54 HZ1 LYS 54 4.699 -18.897 11.537 447 HZ2 LYS 54 HZ2 LYS 54 5.071 -18.585 9.926 448 HZ3 LYS 54 HZ3 LYS 54 3.488 -18.376 10.482 449 H ILE 55 H ILE 55 3.501 -15.524 4.807 450 HA ILE 55 HA ILE 55 4.080 -12.994 3.706 451 HB ILE 55 HB ILE 55 3.231 -15.583 2.515 452 HG12 ILE 55 HG12 ILE 55 5.107 -15.039 0.953 453 HG13 ILE 55 HG13 ILE 55 5.319 -13.512 1.798 454 HG21 ILE 55 HG21 ILE 55 2.917 -13.014 0.961 455 HG22 ILE 55 HG22 ILE 55 1.618 -14.106 1.439 456 HG23 ILE 55 HG23 ILE 55 2.839 -14.644 0.284 457 HD11 ILE 55 HD11 ILE 55 6.940 -15.192 2.463 458 HD12 ILE 55 HD12 ILE 55 5.626 -16.239 3.008 459 HD13 ILE 55 HD13 ILE 55 5.919 -14.695 3.816 460 H ILE 56 H ILE 56 0.930 -14.651 3.926 461 HA ILE 56 HA ILE 56 -0.518 -12.449 2.855 462 HB ILE 56 HB ILE 56 -1.439 -14.769 2.868 463 HG12 ILE 56 HG12 ILE 56 -3.174 -12.764 4.327 464 HG13 ILE 56 HG13 ILE 56 -2.908 -12.793 2.588 465 HG21 ILE 56 HG21 ILE 56 -0.711 -15.461 5.080 466 HG22 ILE 56 HG22 ILE 56 -2.455 -15.659 4.909 467 HG23 ILE 56 HG23 ILE 56 -1.806 -14.295 5.821 468 HD11 ILE 56 HD11 ILE 56 -4.237 -14.950 4.215 469 HD12 ILE 56 HD12 ILE 56 -3.960 -14.998 2.475 470 HD13 ILE 56 HD13 ILE 56 -5.040 -13.786 3.161 471 H ARG 57 H ARG 57 0.596 -13.220 6.007 472 HA ARG 57 HA ARG 57 -1.113 -11.483 7.347 473 HB2 ARG 57 HB2 ARG 57 0.196 -13.334 8.395 474 HB3 ARG 57 HB3 ARG 57 1.642 -12.348 8.211 475 HG2 ARG 57 HG2 ARG 57 0.749 -12.209 10.448 476 HG3 ARG 57 HG3 ARG 57 0.665 -10.640 9.635 477 HD2 ARG 57 HD2 ARG 57 -1.690 -11.311 8.968 478 HD3 ARG 57 HD3 ARG 57 -1.527 -12.607 10.140 479 HE ARG 57 HE ARG 57 -1.293 -10.918 11.870 480 HH11 ARG 57 HH11 ARG 57 -2.459 -9.774 8.759 481 HH12 ARG 57 HH12 ARG 57 -3.204 -8.356 9.396 482 HH21 ARG 57 HH21 ARG 57 -2.281 -9.028 12.728 483 HH22 ARG 57 HH22 ARG 57 -3.090 -7.921 11.666 484 H GLU 58 H GLU 58 2.271 -11.064 6.310 485 HA GLU 58 HA GLU 58 2.350 -8.366 7.185 486 HB2 GLU 58 HB2 GLU 58 4.127 -9.808 5.219 487 HB3 GLU 58 HB3 GLU 58 4.419 -8.174 5.797 488 HG2 GLU 58 HG2 GLU 58 4.413 -9.143 8.132 489 HG3 GLU 58 HG3 GLU 58 4.465 -10.729 7.368 490 H LEU 59 H LEU 59 1.347 -9.871 4.208 491 HA LEU 59 HA LEU 59 1.325 -7.561 2.586 492 HB2 LEU 59 HB2 LEU 59 1.185 -9.819 1.664 493 HB3 LEU 59 HB3 LEU 59 -0.349 -10.072 2.470 494 HG LEU 59 HG LEU 59 -1.419 -8.427 1.029 495 HD11 LEU 59 HD11 LEU 59 0.453 -6.904 0.702 496 HD12 LEU 59 HD12 LEU 59 -0.203 -7.427 -0.850 497 HD13 LEU 59 HD13 LEU 59 1.299 -8.127 -0.247 498 HD21 LEU 59 HD21 LEU 59 -1.248 -9.634 -1.081 499 HD22 LEU 59 HD22 LEU 59 -1.308 -10.746 0.287 500 HD23 LEU 59 HD23 LEU 59 0.226 -10.419 -0.519 501 H ASP 60 H ASP 60 -1.100 -9.093 4.650 502 HA ASP 60 HA ASP 60 -3.250 -7.380 4.155 503 HB2 ASP 60 HB2 ASP 60 -3.556 -9.482 5.311 504 HB3 ASP 60 HB3 ASP 60 -2.539 -8.945 6.640 505 H VAL 61 H VAL 61 -0.684 -7.162 6.602 506 HA VAL 61 HA VAL 61 -1.624 -4.864 7.899 507 HB VAL 61 HB VAL 61 1.240 -5.772 7.551 508 HG11 VAL 61 HG11 VAL 61 0.024 -3.900 9.577 509 HG12 VAL 61 HG12 VAL 61 1.140 -3.462 8.287 510 HG13 VAL 61 HG13 VAL 61 1.681 -4.499 9.607 511 HG21 VAL 61 HG21 VAL 61 0.955 -6.832 9.746 512 HG22 VAL 61 HG22 VAL 61 -0.155 -7.503 8.551 513 HG23 VAL 61 HG23 VAL 61 -0.742 -6.352 9.752 514 H VAL 62 H VAL 62 0.683 -5.188 5.215 515 HA VAL 62 HA VAL 62 1.264 -2.430 4.985 516 HB VAL 62 HB VAL 62 1.524 -4.603 2.896 517 HG11 VAL 62 HG11 VAL 62 3.117 -3.096 1.800 518 HG12 VAL 62 HG12 VAL 62 2.754 -1.848 2.992 519 HG13 VAL 62 HG13 VAL 62 1.502 -2.387 1.874 520 HG21 VAL 62 HG21 VAL 62 3.542 -3.445 4.820 521 HG22 VAL 62 HG22 VAL 62 3.887 -4.628 3.559 522 HG23 VAL 62 HG23 VAL 62 2.829 -5.056 4.901 523 H CYS 63 H CYS 63 -1.129 -4.464 3.336 524 HA CYS 63 HA CYS 63 -1.887 -2.398 1.526 525 HB2 CYS 63 HB2 CYS 63 -3.911 -3.774 1.059 526 HB3 CYS 63 HB3 CYS 63 -2.407 -4.670 0.912 527 HG CYS 63 HG CYS 63 -2.773 -6.347 2.870 528 H ALA 64 H ALA 64 -2.920 -3.267 4.786 529 HA ALA 64 HA ALA 64 -5.181 -1.632 4.932 530 HB1 ALA 64 HB1 ALA 64 -4.660 -3.418 6.523 531 HB2 ALA 64 HB2 ALA 64 -4.915 -1.878 7.342 532 HB3 ALA 64 HB3 ALA 64 -3.278 -2.494 7.103 533 H MET 65 H MET 65 -1.804 -1.027 5.952 534 HA MET 65 HA MET 65 -2.330 1.589 6.863 535 HB2 MET 65 HB2 MET 65 0.033 1.907 7.029 536 HB3 MET 65 HB3 MET 65 -0.295 0.234 7.451 537 HG2 MET 65 HG2 MET 65 0.399 -0.455 5.209 538 HG3 MET 65 HG3 MET 65 0.737 1.224 4.809 539 HE1 MET 65 HE1 MET 65 3.083 -1.323 7.834 540 HE2 MET 65 HE2 MET 65 1.751 -1.895 6.829 541 HE3 MET 65 HE3 MET 65 1.436 -0.774 8.150 542 H ILE 66 H ILE 66 -1.362 0.359 3.712 543 HA ILE 66 HA ILE 66 -0.881 2.865 2.517 544 HB ILE 66 HB ILE 66 -1.172 0.088 1.549 545 HG12 ILE 66 HG12 ILE 66 0.779 0.737 0.176 546 HG13 ILE 66 HG13 ILE 66 0.592 2.401 0.715 547 HG21 ILE 66 HG21 ILE 66 -1.731 2.365 -0.349 548 HG22 ILE 66 HG22 ILE 66 -2.872 1.111 0.138 549 HG23 ILE 66 HG23 ILE 66 -1.447 0.687 -0.810 550 HD11 ILE 66 HD11 ILE 66 1.132 1.771 2.975 551 HD12 ILE 66 HD12 ILE 66 2.389 1.180 1.887 552 HD13 ILE 66 HD13 ILE 66 1.182 0.067 2.529 553 H GLU 67 H GLU 67 -3.817 0.862 2.652 554 HA GLU 67 HA GLU 67 -5.309 2.625 0.994 555 HB2 GLU 67 HB2 GLU 67 -6.195 0.438 2.863 556 HB3 GLU 67 HB3 GLU 67 -7.307 1.360 1.858 557 HG2 GLU 67 HG2 GLU 67 -5.932 0.625 -0.123 558 HG3 GLU 67 HG3 GLU 67 -5.112 -0.487 0.974 559 H GLY 68 H GLY 68 -4.836 2.389 4.476 560 HA2 GLY 68 HA2 GLY 68 -6.919 4.136 5.225 561 HA3 GLY 68 HA3 GLY 68 -5.496 3.746 6.181 562 H ALA 69 H ALA 69 -3.482 4.676 4.657 563 HA ALA 69 HA ALA 69 -3.576 7.477 5.193 564 HB1 ALA 69 HB1 ALA 69 -1.520 5.914 3.628 565 HB2 ALA 69 HB2 ALA 69 -1.497 6.178 5.372 566 HB3 ALA 69 HB3 ALA 69 -1.318 7.545 4.270 567 H GLN 70 H GLN 70 -3.874 5.499 2.311 568 HA GLN 70 HA GLN 70 -3.698 7.530 0.350 569 HB2 GLN 70 HB2 GLN 70 -3.798 4.912 0.138 570 HB3 GLN 70 HB3 GLN 70 -5.531 5.184 0.036 571 HG2 GLN 70 HG2 GLN 70 -5.036 6.779 -1.858 572 HG3 GLN 70 HG3 GLN 70 -3.384 6.147 -1.814 573 HE21 GLN 70 HE21 GLN 70 -6.696 5.430 -2.521 574 HE22 GLN 70 HE22 GLN 70 -6.404 3.963 -3.386 575 H GLY 71 H GLY 71 -6.348 6.166 2.142 576 HA2 GLY 71 HA2 GLY 71 -8.436 7.647 0.860 577 HA3 GLY 71 HA3 GLY 71 -8.583 6.783 2.380 578 H ALA 72 H ALA 72 -6.602 8.142 3.803 579 HA ALA 72 HA ALA 72 -8.160 10.294 4.822 580 HB1 ALA 72 HB1 ALA 72 -6.732 8.941 6.272 581 HB2 ALA 72 HB2 ALA 72 -6.296 10.648 6.370 582 HB3 ALA 72 HB3 ALA 72 -5.303 9.538 5.428 583 H LEU 73 H LEU 73 -4.969 10.198 3.257 584 HA LEU 73 HA LEU 73 -4.601 12.941 3.069 585 HB2 LEU 73 HB2 LEU 73 -2.867 11.197 2.766 586 HB3 LEU 73 HB3 LEU 73 -3.568 10.810 1.210 587 HG LEU 73 HG LEU 73 -3.064 13.136 0.472 588 HD11 LEU 73 HD11 LEU 73 -2.961 14.233 2.623 589 HD12 LEU 73 HD12 LEU 73 -1.429 14.423 1.772 590 HD13 LEU 73 HD13 LEU 73 -1.570 13.254 3.083 591 HD21 LEU 73 HD21 LEU 73 -0.739 11.465 1.400 592 HD22 LEU 73 HD22 LEU 73 -0.668 12.740 0.182 593 HD23 LEU 73 HD23 LEU 73 -1.622 11.285 -0.115 594 H GLU 74 H GLU 74 -6.150 10.673 0.829 595 HA GLU 74 HA GLU 74 -6.505 12.315 -1.378 596 HB2 GLU 74 HB2 GLU 74 -7.522 9.823 -0.428 597 HB3 GLU 74 HB3 GLU 74 -8.864 10.766 -1.057 598 HG2 GLU 74 HG2 GLU 74 -6.324 10.177 -2.554 599 HG3 GLU 74 HG3 GLU 74 -7.834 9.279 -2.729 600 H ARG 75 H ARG 75 -8.714 11.833 1.343 601 HA ARG 75 HA ARG 75 -10.712 13.635 0.594 602 HB2 ARG 75 HB2 ARG 75 -10.984 12.004 2.388 603 HB3 ARG 75 HB3 ARG 75 -9.776 12.832 3.354 604 HG2 ARG 75 HG2 ARG 75 -11.248 14.795 3.477 605 HG3 ARG 75 HG3 ARG 75 -12.471 13.916 2.557 606 HD2 ARG 75 HD2 ARG 75 -12.970 13.797 4.924 607 HD3 ARG 75 HD3 ARG 75 -12.536 12.201 4.318 608 HE ARG 75 HE ARG 75 -10.238 13.475 5.345 609 HH11 ARG 75 HH11 ARG 75 -13.218 12.012 6.466 610 HH12 ARG 75 HH12 ARG 75 -12.565 11.525 7.989 611 HH21 ARG 75 HH21 ARG 75 -9.362 12.838 7.358 612 HH22 ARG 75 HH22 ARG 75 -10.351 12.016 8.511 613 H GLU 76 H GLU 76 -7.769 14.144 2.456 614 HA GLU 76 HA GLU 76 -8.286 16.854 3.111 615 HB2 GLU 76 HB2 GLU 76 -6.787 15.493 4.428 616 HB3 GLU 76 HB3 GLU 76 -5.730 15.258 3.048 617 HG2 GLU 76 HG2 GLU 76 -5.130 17.596 3.072 618 HG3 GLU 76 HG3 GLU 76 -6.260 17.891 4.397 619 H LEU 77 H LEU 77 -5.944 15.459 0.755 620 HA LEU 77 HA LEU 77 -5.199 17.902 -0.322 621 HB2 LEU 77 HB2 LEU 77 -4.281 16.646 -2.235 622 HB3 LEU 77 HB3 LEU 77 -3.825 15.975 -0.689 623 HG LEU 77 HG LEU 77 -5.662 14.238 -1.067 624 HD11 LEU 77 HD11 LEU 77 -5.446 15.278 -3.887 625 HD12 LEU 77 HD12 LEU 77 -6.866 15.384 -2.845 626 HD13 LEU 77 HD13 LEU 77 -6.284 13.808 -3.384 627 HD21 LEU 77 HD21 LEU 77 -4.207 12.841 -2.377 628 HD22 LEU 77 HD22 LEU 77 -3.228 13.836 -1.297 629 HD23 LEU 77 HD23 LEU 77 -3.358 14.252 -3.003 630 H LYS 78 H LYS 78 -8.135 16.212 -0.812 631 HA LYS 78 HA LYS 78 -8.655 17.162 -3.438 632 HB2 LYS 78 HB2 LYS 78 -10.154 15.700 -1.359 633 HB3 LYS 78 HB3 LYS 78 -11.108 16.560 -2.574 634 HG2 LYS 78 HG2 LYS 78 -8.997 14.467 -3.122 635 HG3 LYS 78 HG3 LYS 78 -10.742 14.220 -3.198 636 HD2 LYS 78 HD2 LYS 78 -10.888 15.899 -4.992 637 HD3 LYS 78 HD3 LYS 78 -9.140 16.110 -4.928 638 HE2 LYS 78 HE2 LYS 78 -10.565 13.537 -5.601 639 HE3 LYS 78 HE3 LYS 78 -9.853 14.651 -6.767 640 HZ1 LYS 78 HZ1 LYS 78 -7.687 14.256 -5.680 641 HZ2 LYS 78 HZ2 LYS 78 -8.342 12.868 -6.368 642 HZ3 LYS 78 HZ3 LYS 78 -8.396 13.075 -4.699 643 H ARG 79 H ARG 79 -8.578 18.697 -0.464 644 HA ARG 79 HA ARG 79 -10.811 20.358 -0.488 645 HB2 ARG 79 HB2 ARG 79 -9.200 20.141 1.400 646 HB3 ARG 79 HB3 ARG 79 -8.051 21.107 0.484 647 HG2 ARG 79 HG2 ARG 79 -9.722 22.949 0.452 648 HG3 ARG 79 HG3 ARG 79 -10.733 21.982 1.528 649 HD2 ARG 79 HD2 ARG 79 -8.892 21.939 3.167 650 HD3 ARG 79 HD3 ARG 79 -7.940 22.969 2.098 651 HE ARG 79 HE ARG 79 -10.222 23.743 3.720 652 HH11 ARG 79 HH11 ARG 79 -7.979 24.655 1.172 653 HH12 ARG 79 HH12 ARG 79 -8.255 26.349 1.357 654 HH21 ARG 79 HH21 ARG 79 -10.589 26.005 3.960 655 HH22 ARG 79 HH22 ARG 79 -9.740 27.116 2.942 656 H THR 80 H THR 80 -7.610 20.930 -1.898 657 HA THR 80 HA THR 80 -8.815 23.055 -3.535 658 HB THR 80 HB THR 80 -5.916 22.899 -2.665 659 HG1 THR 80 HG1 THR 80 -6.463 24.501 -1.148 660 HG21 THR 80 HG21 THR 80 -6.312 24.148 -4.743 661 HG22 THR 80 HG22 THR 80 -5.836 25.233 -3.436 662 HG23 THR 80 HG23 THR 80 -7.527 25.130 -3.924 663 H ASP 81 H ASP 81 -9.066 22.223 -5.593 664 HA ASP 81 HA ASP 81 -6.800 20.775 -6.731 665 HB2 ASP 81 HB2 ASP 81 -8.253 19.088 -7.701 666 HB3 ASP 81 HB3 ASP 81 -8.515 19.117 -5.964 667 H LEU 82 H LEU 82 -7.971 23.571 -6.958 668 HA LEU 82 HA LEU 82 -9.215 23.636 -9.527 669 HB2 LEU 82 HB2 LEU 82 -9.922 25.223 -7.860 670 HB3 LEU 82 HB3 LEU 82 -8.275 25.772 -7.644 671 HG LEU 82 HG LEU 82 -8.315 26.670 -9.954 672 HD11 LEU 82 HD11 LEU 82 -11.229 25.929 -9.838 673 HD12 LEU 82 HD12 LEU 82 -10.000 25.251 -10.912 674 HD13 LEU 82 HD13 LEU 82 -10.470 26.944 -11.070 675 HD21 LEU 82 HD21 LEU 82 -9.740 28.591 -9.426 676 HD22 LEU 82 HD22 LEU 82 -8.719 28.113 -8.071 677 HD23 LEU 82 HD23 LEU 82 -10.434 27.691 -8.075 678 H ASN 83 H ASN 83 -6.141 23.755 -8.317 679 HA ASN 83 HA ASN 83 -4.948 25.287 -10.387 680 HB2 ASN 83 HB2 ASN 83 -4.364 24.780 -7.966 681 HB3 ASN 83 HB3 ASN 83 -3.512 23.390 -8.641 682 HD21 ASN 83 HD21 ASN 83 -1.770 23.728 -10.044 683 HD22 ASN 83 HD22 ASN 83 -0.978 25.253 -10.156 684 H ILE 84 H ILE 84 -4.091 24.609 -12.265 685 HA ILE 84 HA ILE 84 -4.912 22.223 -13.432 686 HB ILE 84 HB ILE 84 -2.588 23.944 -14.307 687 HG12 ILE 84 HG12 ILE 84 -5.498 24.040 -15.130 688 HG13 ILE 84 HG13 ILE 84 -4.723 25.185 -14.042 689 HG21 ILE 84 HG21 ILE 84 -3.082 23.016 -16.547 690 HG22 ILE 84 HG22 ILE 84 -4.260 21.931 -15.813 691 HG23 ILE 84 HG23 ILE 84 -2.552 21.783 -15.403 692 HD11 ILE 84 HD11 ILE 84 -3.275 25.939 -15.819 693 HD12 ILE 84 HD12 ILE 84 -4.960 26.037 -16.330 694 HD13 ILE 84 HD13 ILE 84 -3.939 24.723 -16.908 695 H LEU 85 H LEU 85 -1.726 22.975 -11.966 696 HA LEU 85 HA LEU 85 -0.508 20.569 -12.813 697 HB2 LEU 85 HB2 LEU 85 0.656 22.697 -12.050 698 HB3 LEU 85 HB3 LEU 85 0.237 22.255 -10.412 699 HG LEU 85 HG LEU 85 2.607 21.759 -11.087 700 HD11 LEU 85 HD11 LEU 85 1.630 20.623 -9.177 701 HD12 LEU 85 HD12 LEU 85 2.720 19.549 -10.054 702 HD13 LEU 85 HD13 LEU 85 0.977 19.370 -10.234 703 HD21 LEU 85 HD21 LEU 85 2.197 21.045 -13.375 704 HD22 LEU 85 HD22 LEU 85 1.316 19.632 -12.789 705 HD23 LEU 85 HD23 LEU 85 3.041 19.790 -12.468 706 H GLU 86 H GLU 86 -2.143 21.580 -9.838 707 HA GLU 86 HA GLU 86 -1.665 19.251 -8.381 708 HB2 GLU 86 HB2 GLU 86 -4.042 21.105 -8.153 709 HB3 GLU 86 HB3 GLU 86 -3.529 19.933 -6.948 710 HG2 GLU 86 HG2 GLU 86 -2.174 22.479 -7.770 711 HG3 GLU 86 HG3 GLU 86 -2.745 21.998 -6.173 712 H ARG 87 H ARG 87 -4.323 20.084 -10.662 713 HA ARG 87 HA ARG 87 -5.905 17.854 -10.246 714 HB2 ARG 87 HB2 ARG 87 -5.324 19.378 -12.789 715 HB3 ARG 87 HB3 ARG 87 -6.642 18.237 -12.584 716 HG2 ARG 87 HG2 ARG 87 -7.676 19.650 -10.947 717 HG3 ARG 87 HG3 ARG 87 -6.295 20.749 -10.976 718 HD2 ARG 87 HD2 ARG 87 -8.099 21.666 -12.299 719 HD3 ARG 87 HD3 ARG 87 -6.750 21.230 -13.340 720 HE ARG 87 HE ARG 87 -8.211 19.045 -13.557 721 HH11 ARG 87 HH11 ARG 87 -9.265 22.386 -13.558 722 HH12 ARG 87 HH12 ARG 87 -10.592 22.114 -14.625 723 HH21 ARG 87 HH21 ARG 87 -9.973 18.664 -14.970 724 HH22 ARG 87 HH22 ARG 87 -11.001 19.974 -15.431 725 H PHE 88 H PHE 88 -3.302 18.410 -12.549 726 HA PHE 88 HA PHE 88 -3.256 15.900 -13.767 727 HB2 PHE 88 HB2 PHE 88 -2.154 17.778 -14.785 728 HB3 PHE 88 HB3 PHE 88 -1.115 17.995 -13.383 729 HD1 PHE 88 HD1 PHE 88 -1.867 15.714 -16.191 730 HD2 PHE 88 HD2 PHE 88 0.948 16.900 -13.231 731 HE1 PHE 88 HE1 PHE 88 -0.161 14.307 -17.251 732 HE2 PHE 88 HE2 PHE 88 2.661 15.491 -14.290 733 HZ PHE 88 HZ PHE 88 2.109 14.193 -16.305 734 H ASN 89 H ASN 89 -1.512 17.157 -10.961 735 HA ASN 89 HA ASN 89 0.152 14.916 -10.569 736 HB2 ASN 89 HB2 ASN 89 0.115 17.378 -9.519 737 HB3 ASN 89 HB3 ASN 89 -0.721 16.531 -8.224 738 HD21 ASN 89 HD21 ASN 89 0.824 14.045 -8.849 739 HD22 ASN 89 HD22 ASN 89 2.385 14.325 -8.163 740 H TYR 90 H TYR 90 -2.882 15.896 -9.005 741 HA TYR 90 HA TYR 90 -3.298 13.701 -7.350 742 HB2 TYR 90 HB2 TYR 90 -5.303 15.433 -8.809 743 HB3 TYR 90 HB3 TYR 90 -5.748 14.259 -7.581 744 HD1 TYR 90 HD1 TYR 90 -2.678 15.608 -6.619 745 HD2 TYR 90 HD2 TYR 90 -6.805 16.592 -6.837 746 HE1 TYR 90 HE1 TYR 90 -2.355 17.311 -4.882 747 HE2 TYR 90 HE2 TYR 90 -6.499 18.302 -5.110 748 HH TYR 90 HH TYR 90 -5.026 18.932 -3.389 749 H GLU 91 H GLU 91 -4.415 14.193 -10.693 750 HA GLU 91 HA GLU 91 -5.765 11.819 -11.075 751 HB2 GLU 91 HB2 GLU 91 -5.002 14.027 -12.595 752 HB3 GLU 91 HB3 GLU 91 -4.286 12.655 -13.424 753 HG2 GLU 91 HG2 GLU 91 -7.192 12.996 -12.727 754 HG3 GLU 91 HG3 GLU 91 -6.471 13.164 -14.326 755 H GLU 92 H GLU 92 -2.330 12.538 -11.700 756 HA GLU 92 HA GLU 92 -1.772 9.946 -12.699 757 HB2 GLU 92 HB2 GLU 92 -0.412 11.935 -13.248 758 HB3 GLU 92 HB3 GLU 92 0.171 11.974 -11.591 759 HG2 GLU 92 HG2 GLU 92 1.248 9.834 -11.875 760 HG3 GLU 92 HG3 GLU 92 0.578 9.680 -13.498 761 H ALA 93 H ALA 93 -1.500 11.376 -9.446 762 HA ALA 93 HA ALA 93 0.037 9.302 -8.329 763 HB1 ALA 93 HB1 ALA 93 -1.908 11.184 -6.991 764 HB2 ALA 93 HB2 ALA 93 -0.207 11.528 -7.305 765 HB3 ALA 93 HB3 ALA 93 -0.655 10.239 -6.188 766 H GLN 94 H GLN 94 -3.448 9.927 -8.477 767 HA GLN 94 HA GLN 94 -4.224 7.656 -6.991 768 HB2 GLN 94 HB2 GLN 94 -5.633 9.691 -7.483 769 HB3 GLN 94 HB3 GLN 94 -5.851 9.066 -9.107 770 HG2 GLN 94 HG2 GLN 94 -7.765 8.524 -7.768 771 HG3 GLN 94 HG3 GLN 94 -6.891 7.044 -8.167 772 HE21 GLN 94 HE21 GLN 94 -7.749 9.275 -5.660 773 HE22 GLN 94 HE22 GLN 94 -7.271 8.286 -4.329 774 H THR 95 H THR 95 -3.578 8.197 -10.375 775 HA THR 95 HA THR 95 -4.521 5.775 -11.379 776 HB THR 95 HB THR 95 -2.148 7.375 -12.362 777 HG1 THR 95 HG1 THR 95 -3.934 8.667 -12.513 778 HG21 THR 95 HG21 THR 95 -2.194 5.064 -13.242 779 HG22 THR 95 HG22 THR 95 -2.529 6.251 -14.501 780 HG23 THR 95 HG23 THR 95 -3.849 5.320 -13.794 781 H LEU 96 H LEU 96 -1.261 6.602 -10.049 782 HA LEU 96 HA LEU 96 -0.208 4.040 -10.534 783 HB2 LEU 96 HB2 LEU 96 0.685 6.162 -8.588 784 HB3 LEU 96 HB3 LEU 96 1.619 4.757 -9.064 785 HG LEU 96 HG LEU 96 0.789 7.005 -10.901 786 HD11 LEU 96 HD11 LEU 96 2.464 7.708 -9.281 787 HD12 LEU 96 HD12 LEU 96 3.158 7.596 -10.899 788 HD13 LEU 96 HD13 LEU 96 3.475 6.328 -9.713 789 HD21 LEU 96 HD21 LEU 96 2.546 4.597 -11.378 790 HD22 LEU 96 HD22 LEU 96 2.331 5.940 -12.502 791 HD23 LEU 96 HD23 LEU 96 0.964 4.900 -12.098 792 H SER 97 H SER 97 -1.821 5.530 -7.757 793 HA SER 97 HA SER 97 -1.206 3.514 -5.916 794 HB2 SER 97 HB2 SER 97 -3.296 4.378 -4.715 795 HB3 SER 97 HB3 SER 97 -2.002 5.539 -5.008 796 HG SER 97 HG SER 97 -4.483 5.817 -5.684 797 H LYS 98 H LYS 98 -3.976 3.878 -8.145 798 HA LYS 98 HA LYS 98 -5.369 1.597 -7.341 799 HB2 LYS 98 HB2 LYS 98 -5.364 3.402 -9.672 800 HB3 LYS 98 HB3 LYS 98 -5.959 1.781 -9.996 801 HG2 LYS 98 HG2 LYS 98 -7.786 3.267 -9.446 802 HG3 LYS 98 HG3 LYS 98 -7.605 2.029 -8.203 803 HD2 LYS 98 HD2 LYS 98 -6.349 3.663 -6.827 804 HD3 LYS 98 HD3 LYS 98 -6.662 4.889 -8.055 805 HE2 LYS 98 HE2 LYS 98 -8.259 5.087 -6.233 806 HE3 LYS 98 HE3 LYS 98 -9.075 4.598 -7.718 807 HZ1 LYS 98 HZ1 LYS 98 -9.857 3.324 -5.819 808 HZ2 LYS 98 HZ2 LYS 98 -8.293 2.785 -5.501 809 HZ3 LYS 98 HZ3 LYS 98 -9.072 2.314 -6.918 810 H ILE 99 H ILE 99 -2.702 2.040 -9.617 811 HA ILE 99 HA ILE 99 -2.746 -0.554 -10.697 812 HB ILE 99 HB ILE 99 -0.413 1.347 -10.347 813 HG12 ILE 99 HG12 ILE 99 -2.126 0.766 -12.775 814 HG13 ILE 99 HG13 ILE 99 -2.305 2.176 -11.739 815 HG21 ILE 99 HG21 ILE 99 -0.628 -1.120 -12.072 816 HG22 ILE 99 HG22 ILE 99 0.365 -0.952 -10.627 817 HG23 ILE 99 HG23 ILE 99 0.723 0.016 -12.060 818 HD11 ILE 99 HD11 ILE 99 -1.088 2.705 -13.774 819 HD12 ILE 99 HD12 ILE 99 0.126 1.490 -13.376 820 HD13 ILE 99 HD13 ILE 99 -0.065 2.913 -12.355 821 H LEU 100 H LEU 100 -0.972 0.867 -7.986 822 HA LEU 100 HA LEU 100 0.493 -1.409 -7.247 823 HB2 LEU 100 HB2 LEU 100 -0.425 0.919 -5.569 824 HB3 LEU 100 HB3 LEU 100 0.736 -0.284 -5.043 825 HG LEU 100 HG LEU 100 1.110 1.620 -7.357 826 HD11 LEU 100 HD11 LEU 100 2.344 1.583 -4.609 827 HD12 LEU 100 HD12 LEU 100 1.177 2.758 -5.216 828 HD13 LEU 100 HD13 LEU 100 2.787 2.668 -5.925 829 HD21 LEU 100 HD21 LEU 100 3.430 0.796 -7.346 830 HD22 LEU 100 HD22 LEU 100 2.275 -0.472 -7.747 831 HD23 LEU 100 HD23 LEU 100 2.985 -0.406 -6.133 832 H LEU 101 H LEU 101 -2.632 -0.209 -6.059 833 HA LEU 101 HA LEU 101 -3.016 -2.230 -4.145 834 HB2 LEU 101 HB2 LEU 101 -4.762 -0.253 -5.487 835 HB3 LEU 101 HB3 LEU 101 -5.564 -1.639 -4.782 836 HG LEU 101 HG LEU 101 -5.570 0.239 -3.235 837 HD11 LEU 101 HD11 LEU 101 -4.648 -0.869 -1.282 838 HD12 LEU 101 HD12 LEU 101 -3.717 -1.951 -2.312 839 HD13 LEU 101 HD13 LEU 101 -5.480 -2.023 -2.323 840 HD21 LEU 101 HD21 LEU 101 -2.559 0.068 -3.356 841 HD22 LEU 101 HD22 LEU 101 -3.495 1.086 -2.261 842 HD23 LEU 101 HD23 LEU 101 -3.553 1.376 -3.999 843 H LYS 102 H LYS 102 -3.957 -2.058 -7.573 844 HA LYS 102 HA LYS 102 -5.330 -4.453 -7.751 845 HB2 LYS 102 HB2 LYS 102 -5.228 -2.905 -9.611 846 HB3 LYS 102 HB3 LYS 102 -3.487 -3.107 -9.735 847 HG2 LYS 102 HG2 LYS 102 -3.838 -5.464 -10.361 848 HG3 LYS 102 HG3 LYS 102 -5.580 -5.191 -10.316 849 HD2 LYS 102 HD2 LYS 102 -4.824 -5.045 -12.599 850 HD3 LYS 102 HD3 LYS 102 -5.304 -3.439 -12.052 851 HE2 LYS 102 HE2 LYS 102 -3.226 -3.364 -13.350 852 HE3 LYS 102 HE3 LYS 102 -2.962 -2.847 -11.687 853 HZ1 LYS 102 HZ1 LYS 102 -1.686 -4.669 -11.231 854 HZ2 LYS 102 HZ2 LYS 102 -1.385 -4.565 -12.891 855 HZ3 LYS 102 HZ3 LYS 102 -2.518 -5.670 -12.316 856 H ASP 103 H ASP 103 -1.831 -3.849 -8.218 857 HA ASP 103 HA ASP 103 -1.161 -6.529 -8.606 858 HB2 ASP 103 HB2 ASP 103 0.396 -4.089 -7.893 859 HB3 ASP 103 HB3 ASP 103 1.176 -5.666 -7.792 860 H LEU 104 H LEU 104 -1.447 -4.689 -5.476 861 HA LEU 104 HA LEU 104 -0.278 -6.711 -3.943 862 HB2 LEU 104 HB2 LEU 104 -2.320 -4.576 -3.313 863 HB3 LEU 104 HB3 LEU 104 -1.595 -5.612 -2.102 864 HG LEU 104 HG LEU 104 -0.061 -3.679 -3.840 865 HD11 LEU 104 HD11 LEU 104 -0.919 -3.455 -0.957 866 HD12 LEU 104 HD12 LEU 104 -1.539 -2.501 -2.303 867 HD13 LEU 104 HD13 LEU 104 0.142 -2.333 -1.806 868 HD21 LEU 104 HD21 LEU 104 1.237 -5.621 -3.082 869 HD22 LEU 104 HD22 LEU 104 0.780 -5.272 -1.418 870 HD23 LEU 104 HD23 LEU 104 1.780 -4.131 -2.316 871 H LYS 105 H LYS 105 -3.675 -5.911 -4.717 872 HA LYS 105 HA LYS 105 -4.870 -8.060 -3.415 873 HB2 LYS 105 HB2 LYS 105 -5.665 -6.204 -5.588 874 HB3 LYS 105 HB3 LYS 105 -6.585 -7.690 -5.458 875 HG2 LYS 105 HG2 LYS 105 -7.714 -5.929 -4.258 876 HG3 LYS 105 HG3 LYS 105 -7.128 -7.129 -3.112 877 HD2 LYS 105 HD2 LYS 105 -5.399 -4.767 -3.692 878 HD3 LYS 105 HD3 LYS 105 -6.836 -4.519 -2.703 879 HE2 LYS 105 HE2 LYS 105 -4.633 -6.510 -2.143 880 HE3 LYS 105 HE3 LYS 105 -4.843 -4.959 -1.340 881 HZ1 LYS 105 HZ1 LYS 105 -5.714 -6.865 -0.066 882 HZ2 LYS 105 HZ2 LYS 105 -6.834 -7.167 -1.280 883 HZ3 LYS 105 HZ3 LYS 105 -6.915 -5.718 -0.405 884 H GLU 106 H GLU 106 -3.422 -7.880 -6.608 885 HA GLU 106 HA GLU 106 -4.284 -10.422 -7.487 886 HB2 GLU 106 HB2 GLU 106 -3.356 -8.744 -9.019 887 HB3 GLU 106 HB3 GLU 106 -1.786 -8.898 -8.240 888 HG2 GLU 106 HG2 GLU 106 -1.691 -11.247 -8.934 889 HG3 GLU 106 HG3 GLU 106 -3.237 -11.050 -9.754 890 H THR 107 H THR 107 -1.510 -9.339 -5.652 891 HA THR 107 HA THR 107 -0.051 -11.743 -5.641 892 HB THR 107 HB THR 107 -0.116 -9.600 -3.493 893 HG1 THR 107 HG1 THR 107 0.463 -8.763 -5.561 894 HG21 THR 107 HG21 THR 107 2.135 -10.395 -2.930 895 HG22 THR 107 HG22 THR 107 2.006 -11.655 -4.157 896 HG23 THR 107 HG23 THR 107 0.951 -11.690 -2.742 897 H GLU 108 H GLU 108 -2.248 -10.425 -3.123 898 HA GLU 108 HA GLU 108 -2.272 -12.637 -1.460 899 HB2 GLU 108 HB2 GLU 108 -4.459 -11.818 -0.616 900 HB3 GLU 108 HB3 GLU 108 -3.242 -10.558 -0.734 901 HG2 GLU 108 HG2 GLU 108 -4.257 -9.914 -2.912 902 HG3 GLU 108 HG3 GLU 108 -5.554 -11.051 -2.569 903 H GLN 109 H GLN 109 -4.247 -12.082 -4.360 904 HA GLN 109 HA GLN 109 -5.971 -14.271 -4.182 905 HB2 GLN 109 HB2 GLN 109 -4.668 -13.111 -6.651 906 HB3 GLN 109 HB3 GLN 109 -6.003 -14.250 -6.666 907 HG2 GLN 109 HG2 GLN 109 -7.447 -12.645 -5.626 908 HG3 GLN 109 HG3 GLN 109 -6.106 -11.515 -5.434 909 HE21 GLN 109 HE21 GLN 109 -8.614 -11.164 -6.873 910 HE22 GLN 109 HE22 GLN 109 -8.191 -10.817 -8.512 911 H LYS 110 H LYS 110 -2.729 -14.061 -5.563 912 HA LYS 110 HA LYS 110 -2.620 -16.774 -6.388 913 HB2 LYS 110 HB2 LYS 110 -0.601 -14.579 -6.147 914 HB3 LYS 110 HB3 LYS 110 -0.049 -16.228 -6.399 915 HG2 LYS 110 HG2 LYS 110 -0.242 -14.930 -8.496 916 HG3 LYS 110 HG3 LYS 110 -1.250 -16.374 -8.482 917 HD2 LYS 110 HD2 LYS 110 -3.200 -15.000 -7.913 918 HD3 LYS 110 HD3 LYS 110 -2.187 -13.558 -7.925 919 HE2 LYS 110 HE2 LYS 110 -1.767 -13.791 -10.265 920 HE3 LYS 110 HE3 LYS 110 -2.544 -15.373 -10.300 921 HZ1 LYS 110 HZ1 LYS 110 -3.934 -12.815 -9.675 922 HZ2 LYS 110 HZ2 LYS 110 -4.652 -14.337 -9.815 923 HZ3 LYS 110 HZ3 LYS 110 -3.974 -13.600 -11.170 924 H VAL 111 H VAL 111 -1.487 -15.057 -3.540 925 HA VAL 111 HA VAL 111 -0.095 -17.122 -2.274 926 HB VAL 111 HB VAL 111 -1.754 -14.881 -1.064 927 HG11 VAL 111 HG11 VAL 111 -0.481 -15.228 0.986 928 HG12 VAL 111 HG12 VAL 111 0.335 -16.610 0.256 929 HG13 VAL 111 HG13 VAL 111 -1.402 -16.670 0.563 930 HG21 VAL 111 HG21 VAL 111 0.392 -13.746 -0.771 931 HG22 VAL 111 HG22 VAL 111 0.069 -14.088 -2.471 932 HG23 VAL 111 HG23 VAL 111 1.211 -15.086 -1.571 933 H LYS 112 H LYS 112 -3.467 -16.105 -1.976 934 HA LYS 112 HA LYS 112 -4.294 -18.215 -0.291 935 HB2 LYS 112 HB2 LYS 112 -5.811 -16.357 -2.112 936 HB3 LYS 112 HB3 LYS 112 -6.591 -17.491 -1.021 937 HG2 LYS 112 HG2 LYS 112 -5.818 -16.363 0.886 938 HG3 LYS 112 HG3 LYS 112 -4.618 -15.458 -0.038 939 HD2 LYS 112 HD2 LYS 112 -6.561 -14.076 0.616 940 HD3 LYS 112 HD3 LYS 112 -6.359 -14.191 -1.134 941 HE2 LYS 112 HE2 LYS 112 -8.705 -14.406 -0.468 942 HE3 LYS 112 HE3 LYS 112 -8.103 -15.859 -1.258 943 HZ1 LYS 112 HZ1 LYS 112 -8.332 -15.523 1.691 944 HZ2 LYS 112 HZ2 LYS 112 -7.905 -16.941 0.875 945 HZ3 LYS 112 HZ3 LYS 112 -9.465 -16.322 0.730 946 H ASP 113 H ASP 113 -3.724 -18.038 -3.673 947 HA ASP 113 HA ASP 113 -5.463 -20.148 -4.477 948 HB2 ASP 113 HB2 ASP 113 -4.691 -18.532 -6.119 949 HB3 ASP 113 HB3 ASP 113 -3.018 -18.994 -5.828 950 H ILE 114 H ILE 114 -2.180 -20.010 -3.150 951 HA ILE 114 HA ILE 114 -1.484 -22.661 -3.942 952 HB ILE 114 HB ILE 114 -0.277 -20.522 -2.243 953 HG12 ILE 114 HG12 ILE 114 1.748 -21.131 -3.530 954 HG13 ILE 114 HG13 ILE 114 0.831 -22.384 -4.354 955 HG21 ILE 114 HG21 ILE 114 1.445 -22.048 -1.370 956 HG22 ILE 114 HG22 ILE 114 0.511 -23.418 -1.979 957 HG23 ILE 114 HG23 ILE 114 -0.161 -22.376 -0.724 958 HD11 ILE 114 HD11 ILE 114 -0.585 -20.699 -5.353 959 HD12 ILE 114 HD12 ILE 114 1.119 -20.375 -5.700 960 HD13 ILE 114 HD13 ILE 114 0.273 -19.436 -4.471 961 H GLN 115 H GLN 115 -2.303 -24.384 -3.142 962 HA GLN 115 HA GLN 115 -3.776 -24.489 -0.694 963 HB2 GLN 115 HB2 GLN 115 -3.891 -26.942 -1.138 964 HB3 GLN 115 HB3 GLN 115 -4.440 -25.954 -2.484 965 HG2 GLN 115 HG2 GLN 115 -2.340 -26.300 -3.635 966 HG3 GLN 115 HG3 GLN 115 -1.714 -27.205 -2.259 967 HE21 GLN 115 HE21 GLN 115 -1.360 -29.025 -3.492 968 HE22 GLN 115 HE22 GLN 115 -2.644 -30.033 -4.059 969 H THR 116 H THR 116 -3.003 -24.745 1.299 970 HA THR 116 HA THR 116 -0.423 -26.100 1.639 971 HB THR 116 HB THR 116 -0.069 -24.601 3.635 972 HG1 THR 116 HG1 THR 116 -1.601 -23.253 4.145 973 HG21 THR 116 HG21 THR 116 -0.256 -23.264 0.943 974 HG22 THR 116 HG22 THR 116 1.112 -24.198 1.542 975 HG23 THR 116 HG23 THR 116 0.683 -22.667 2.308 976 H GLN 117 H GLN 117 -0.201 -27.284 3.699 977 HA GLN 117 HA GLN 117 -2.529 -28.571 4.463 978 HB2 GLN 117 HB2 GLN 117 0.116 -28.436 5.898 979 HB3 GLN 117 HB3 GLN 117 -1.163 -29.584 6.244 980 HG2 GLN 117 HG2 GLN 117 0.328 -29.369 3.637 981 HG3 GLN 117 HG3 GLN 117 0.623 -30.565 4.899 982 HE21 GLN 117 HE21 GLN 117 -0.867 -32.214 5.214 983 HE22 GLN 117 HE22 GLN 117 -2.080 -32.601 4.047 Start of MODEL 10 1 H GLN 1 H1 GLN 1 27.120 -0.619 14.838 2 HA GLN 1 HA GLN 1 25.524 -0.188 13.127 3 HB2 GLN 1 HB2 GLN 1 25.981 -3.093 12.448 4 HB3 GLN 1 HB3 GLN 1 24.625 -2.154 11.846 5 HG2 GLN 1 HG2 GLN 1 26.191 -0.612 10.757 6 HG3 GLN 1 HG3 GLN 1 27.538 -1.592 11.334 7 HE21 GLN 1 HE21 GLN 1 28.214 -1.993 9.207 8 HE22 GLN 1 HE22 GLN 1 27.359 -3.094 8.181 9 H GLU 2 H GLU 2 26.011 -1.713 15.894 10 HA GLU 2 HA GLU 2 23.624 -3.116 16.413 11 HB2 GLU 2 HB2 GLU 2 25.727 -3.300 17.733 12 HB3 GLU 2 HB3 GLU 2 25.446 -1.682 18.353 13 HG2 GLU 2 HG2 GLU 2 23.461 -2.415 19.492 14 HG3 GLU 2 HG3 GLU 2 23.601 -4.019 18.771 15 H HIS 3 H HIS 3 24.648 0.196 17.207 16 HA HIS 3 HA HIS 3 21.806 0.884 17.464 17 HB2 HIS 3 HB2 HIS 3 24.200 2.026 18.895 18 HB3 HIS 3 HB3 HIS 3 22.646 2.855 18.842 19 HD1 HIS 3 HD1 HIS 3 20.677 1.777 20.150 20 HD2 HIS 3 HD2 HIS 3 24.307 -0.200 20.577 21 HE1 HIS 3 HE1 HIS 3 20.355 0.179 22.057 22 HE2 HIS 3 HE2 HIS 3 22.470 -1.169 22.118 23 H LYS 4 H LYS 4 21.379 3.304 16.899 24 HA LYS 4 HA LYS 4 23.008 4.006 14.638 25 HB2 LYS 4 HB2 LYS 4 20.014 3.610 14.593 26 HB3 LYS 4 HB3 LYS 4 20.821 4.667 13.442 27 HG2 LYS 4 HG2 LYS 4 22.284 2.664 12.860 28 HG3 LYS 4 HG3 LYS 4 21.125 1.695 13.768 29 HD2 LYS 4 HD2 LYS 4 20.377 3.494 11.467 30 HD3 LYS 4 HD3 LYS 4 20.735 1.776 11.294 31 HE2 LYS 4 HE2 LYS 4 18.585 2.911 13.068 32 HE3 LYS 4 HE3 LYS 4 18.312 2.300 11.439 33 HZ1 LYS 4 HZ1 LYS 4 17.778 0.597 12.996 34 HZ2 LYS 4 HZ2 LYS 4 19.259 0.746 13.786 35 HZ3 LYS 4 HZ3 LYS 4 19.199 0.135 12.211 36 HA PRO 5 HA PRO 5 22.881 7.977 16.454 37 HB2 PRO 5 HB2 PRO 5 22.646 9.676 14.315 38 HB3 PRO 5 HB3 PRO 5 24.137 8.836 14.747 39 HG2 PRO 5 HG2 PRO 5 22.089 8.096 12.693 40 HG3 PRO 5 HG3 PRO 5 23.857 8.074 12.566 41 HD2 PRO 5 HD2 PRO 5 22.450 5.831 13.004 42 HD3 PRO 5 HD3 PRO 5 24.042 6.090 13.749 43 H LYS 6 H LYS 6 21.008 9.615 14.079 44 HA LYS 6 HA LYS 6 18.756 9.615 15.909 45 HB2 LYS 6 HB2 LYS 6 19.804 11.573 13.917 46 HB3 LYS 6 HB3 LYS 6 18.086 11.593 14.289 47 HG2 LYS 6 HG2 LYS 6 19.245 13.188 15.675 48 HG3 LYS 6 HG3 LYS 6 18.617 11.876 16.672 49 HD2 LYS 6 HD2 LYS 6 20.888 10.822 16.547 50 HD3 LYS 6 HD3 LYS 6 21.459 12.296 15.763 51 HE2 LYS 6 HE2 LYS 6 21.973 12.481 18.066 52 HE3 LYS 6 HE3 LYS 6 20.614 13.558 17.745 53 HZ1 LYS 6 HZ1 LYS 6 20.469 10.868 18.984 54 HZ2 LYS 6 HZ2 LYS 6 19.134 11.833 18.627 55 HZ3 LYS 6 HZ3 LYS 6 20.257 12.342 19.778 56 H LYS 7 H LYS 7 16.619 10.148 14.550 57 HA LYS 7 HA LYS 7 16.061 7.796 13.040 58 HB2 LYS 7 HB2 LYS 7 13.805 8.757 12.765 59 HB3 LYS 7 HB3 LYS 7 14.338 8.788 14.439 60 HG2 LYS 7 HG2 LYS 7 14.636 11.114 14.425 61 HG3 LYS 7 HG3 LYS 7 14.636 11.191 12.661 62 HD2 LYS 7 HD2 LYS 7 12.320 10.710 12.559 63 HD3 LYS 7 HD3 LYS 7 12.241 10.343 14.286 64 HE2 LYS 7 HE2 LYS 7 11.318 12.502 14.065 65 HE3 LYS 7 HE3 LYS 7 12.961 12.770 14.645 66 HZ1 LYS 7 HZ1 LYS 7 13.641 13.252 12.362 67 HZ2 LYS 7 HZ2 LYS 7 12.402 14.291 12.859 68 HZ3 LYS 7 HZ3 LYS 7 12.054 13.007 11.825 69 H ASP 8 H ASP 8 16.892 11.053 12.248 70 HA ASP 8 HA ASP 8 16.103 10.706 9.464 71 HB2 ASP 8 HB2 ASP 8 17.300 13.147 10.775 72 HB3 ASP 8 HB3 ASP 8 16.499 13.066 9.210 73 H ASP 9 H ASP 9 17.847 12.104 8.081 74 HA ASP 9 HA ASP 9 20.319 10.521 8.313 75 HB2 ASP 9 HB2 ASP 9 19.285 12.108 5.945 76 HB3 ASP 9 HB3 ASP 9 20.680 11.040 5.951 77 H PHE 10 H PHE 10 19.654 12.916 9.881 78 HA PHE 10 HA PHE 10 20.515 14.896 10.575 79 HB2 PHE 10 HB2 PHE 10 22.887 13.872 9.005 80 HB3 PHE 10 HB3 PHE 10 22.932 15.399 9.878 81 HD1 PHE 10 HD1 PHE 10 22.246 11.786 10.354 82 HD2 PHE 10 HD2 PHE 10 23.549 15.427 12.108 83 HE1 PHE 10 HE1 PHE 10 22.867 10.569 12.399 84 HE2 PHE 10 HE2 PHE 10 24.173 14.226 14.160 85 HZ PHE 10 HZ PHE 10 23.831 11.791 14.309 86 H ARG 11 H ARG 11 18.791 14.892 8.475 87 HA ARG 11 HA ARG 11 19.282 17.359 7.179 88 HB2 ARG 11 HB2 ARG 11 20.594 15.818 5.726 89 HB3 ARG 11 HB3 ARG 11 19.151 14.846 5.489 90 HG2 ARG 11 HG2 ARG 11 19.381 16.186 3.561 91 HG3 ARG 11 HG3 ARG 11 18.066 16.893 4.502 92 HD2 ARG 11 HD2 ARG 11 19.511 18.638 3.660 93 HD3 ARG 11 HD3 ARG 11 19.643 18.548 5.413 94 HE ARG 11 HE ARG 11 21.677 16.994 4.628 95 HH11 ARG 11 HH11 ARG 11 20.687 20.194 3.578 96 HH12 ARG 11 HH12 ARG 11 22.298 20.719 3.226 97 HH21 ARG 11 HH21 ARG 11 23.828 17.687 4.150 98 HH22 ARG 11 HH22 ARG 11 24.086 19.280 3.533 99 H ASN 12 H ASN 12 17.312 18.250 6.870 100 HA ASN 12 HA ASN 12 14.992 16.497 7.208 101 HB2 ASN 12 HB2 ASN 12 15.226 19.503 7.457 102 HB3 ASN 12 HB3 ASN 12 13.738 18.592 7.669 103 HD21 ASN 12 HD21 ASN 12 16.802 19.430 9.037 104 HD22 ASN 12 HD22 ASN 12 16.489 18.817 10.624 105 H GLU 13 H GLU 13 13.439 16.331 5.687 106 HA GLU 13 HA GLU 13 14.084 17.008 3.025 107 HB2 GLU 13 HB2 GLU 13 11.613 15.904 4.329 108 HB3 GLU 13 HB3 GLU 13 11.617 16.334 2.628 109 HG2 GLU 13 HG2 GLU 13 12.021 13.959 2.933 110 HG3 GLU 13 HG3 GLU 13 13.417 14.751 2.212 111 H PHE 14 H PHE 14 11.680 18.397 5.314 112 HA PHE 14 HA PHE 14 10.968 20.489 5.572 113 HB2 PHE 14 HB2 PHE 14 12.835 21.166 3.303 114 HB3 PHE 14 HB3 PHE 14 11.817 22.356 4.094 115 HD1 PHE 14 HD2 PHE 14 12.027 22.064 6.842 116 HD2 PHE 14 HD1 PHE 14 15.013 21.242 3.936 117 HE1 PHE 14 HE2 PHE 14 13.767 22.423 8.540 118 HE2 PHE 14 HE1 PHE 14 16.765 21.597 5.626 119 HZ PHE 14 HZ PHE 14 16.143 22.190 7.934 120 H ASP 15 H ASP 15 10.675 18.927 2.508 121 HA ASP 15 HA ASP 15 9.003 20.620 1.112 122 HB2 ASP 15 HB2 ASP 15 8.912 17.607 1.231 123 HB3 ASP 15 HB3 ASP 15 8.066 18.584 0.035 124 H HIS 16 H HIS 16 7.866 17.911 3.138 125 HA HIS 16 HA HIS 16 5.880 17.540 4.212 126 HB2 HIS 16 HB2 HIS 16 6.178 20.516 4.602 127 HB3 HIS 16 HB3 HIS 16 4.892 19.590 5.355 128 HD1 HIS 16 HD1 HIS 16 8.026 20.945 6.143 129 HD2 HIS 16 HD2 HIS 16 6.208 17.285 6.897 130 HE1 HIS 16 HE1 HIS 16 9.249 19.977 8.105 131 HE2 HIS 16 HE2 HIS 16 7.921 17.928 8.716 132 H LEU 17 H LEU 17 5.582 17.810 1.298 133 HA LEU 17 HA LEU 17 3.100 19.288 1.059 134 HB2 LEU 17 HB2 LEU 17 5.287 18.497 -0.737 135 HB3 LEU 17 HB3 LEU 17 3.695 18.218 -1.402 136 HG LEU 17 HG LEU 17 4.634 20.359 -2.110 137 HD11 LEU 17 HD11 LEU 17 2.261 20.659 -0.274 138 HD12 LEU 17 HD12 LEU 17 2.218 20.122 -1.954 139 HD13 LEU 17 HD13 LEU 17 2.720 21.767 -1.567 140 HD21 LEU 17 HD21 LEU 17 4.927 22.186 -0.531 141 HD22 LEU 17 HD22 LEU 17 5.986 20.831 -0.130 142 HD23 LEU 17 HD23 LEU 17 4.517 21.110 0.805 143 H LEU 18 H LEU 18 1.276 18.240 0.183 144 HA LEU 18 HA LEU 18 0.714 15.711 1.231 145 HB2 LEU 18 HB2 LEU 18 -0.683 17.138 -1.027 146 HB3 LEU 18 HB3 LEU 18 -1.341 15.812 -0.090 147 HG LEU 18 HG LEU 18 -0.641 18.529 1.025 148 HD11 LEU 18 HD11 LEU 18 -3.329 17.328 0.401 149 HD12 LEU 18 HD12 LEU 18 -2.537 18.608 -0.518 150 HD13 LEU 18 HD13 LEU 18 -3.033 18.897 1.149 151 HD21 LEU 18 HD21 LEU 18 -1.866 17.755 3.005 152 HD22 LEU 18 HD22 LEU 18 -0.448 16.758 2.685 153 HD23 LEU 18 HD23 LEU 18 -2.055 16.167 2.261 154 H ILE 19 H ILE 19 1.516 16.671 -2.091 155 HA ILE 19 HA ILE 19 1.298 14.057 -3.136 156 HB ILE 19 HB ILE 19 2.578 16.566 -4.212 157 HG12 ILE 19 HG12 ILE 19 0.139 16.474 -4.176 158 HG13 ILE 19 HG13 ILE 19 0.733 16.423 -5.835 159 HG21 ILE 19 HG21 ILE 19 2.442 13.886 -5.596 160 HG22 ILE 19 HG22 ILE 19 3.910 14.708 -5.066 161 HG23 ILE 19 HG23 ILE 19 2.919 15.407 -6.348 162 HD11 ILE 19 HD11 ILE 19 -0.269 14.085 -4.213 163 HD12 ILE 19 HD12 ILE 19 0.408 13.975 -5.836 164 HD13 ILE 19 HD13 ILE 19 -1.086 14.859 -5.563 165 H GLU 20 H GLU 20 4.072 15.966 -2.026 166 HA GLU 20 HA GLU 20 6.102 14.173 -2.622 167 HB2 GLU 20 HB2 GLU 20 5.750 16.347 -0.636 168 HB3 GLU 20 HB3 GLU 20 7.050 15.210 -0.332 169 HG2 GLU 20 HG2 GLU 20 7.851 17.160 -1.517 170 HG3 GLU 20 HG3 GLU 20 8.019 15.714 -2.512 171 H GLN 21 H GLN 21 4.016 14.312 0.228 172 HA GLN 21 HA GLN 21 5.220 12.186 1.634 173 HB2 GLN 21 HB2 GLN 21 3.644 13.819 2.649 174 HB3 GLN 21 HB3 GLN 21 2.331 13.084 1.741 175 HG2 GLN 21 HG2 GLN 21 2.290 12.282 4.004 176 HG3 GLN 21 HG3 GLN 21 2.733 10.960 2.924 177 HE21 GLN 21 HE21 GLN 21 3.731 9.788 4.530 178 HE22 GLN 21 HE22 GLN 21 5.236 10.252 5.238 179 H ALA 22 H ALA 22 2.332 12.225 -0.493 180 HA ALA 22 HA ALA 22 1.786 9.493 -0.408 181 HB1 ALA 22 HB1 ALA 22 1.282 11.412 -2.682 182 HB2 ALA 22 HB2 ALA 22 0.233 11.180 -1.284 183 HB3 ALA 22 HB3 ALA 22 0.480 9.862 -2.430 184 H ASN 23 H ASN 23 3.905 11.327 -2.453 185 HA ASN 23 HA ASN 23 4.588 9.320 -4.323 186 HB2 ASN 23 HB2 ASN 23 5.952 11.827 -3.438 187 HB3 ASN 23 HB3 ASN 23 6.856 10.673 -4.413 188 HD21 ASN 23 HD21 ASN 23 5.996 13.369 -5.083 189 HD22 ASN 23 HD22 ASN 23 5.001 13.213 -6.490 190 H HIS 24 H HIS 24 5.850 10.061 -1.153 191 HA HIS 24 HA HIS 24 7.972 8.173 -1.274 192 HB2 HIS 24 HB2 HIS 24 6.659 9.674 0.965 193 HB3 HIS 24 HB3 HIS 24 7.774 8.363 1.323 194 HD1 HIS 24 HD1 HIS 24 7.654 11.807 -0.181 195 HD2 HIS 24 HD2 HIS 24 10.463 8.946 0.910 196 HE1 HIS 24 HE1 HIS 24 9.878 12.975 -0.254 197 HE2 HIS 24 HE2 HIS 24 11.567 11.168 0.213 198 H ALA 25 H ALA 25 4.577 7.952 0.034 199 HA ALA 25 HA ALA 25 4.917 5.414 1.090 200 HB1 ALA 25 HB1 ALA 25 2.496 5.393 1.194 201 HB2 ALA 25 HB2 ALA 25 2.419 6.773 0.098 202 HB3 ALA 25 HB3 ALA 25 3.124 6.961 1.705 203 H ILE 26 H ILE 26 3.749 6.489 -2.112 204 HA ILE 26 HA ILE 26 3.044 3.874 -2.947 205 HB ILE 26 HB ILE 26 3.030 4.758 -5.266 206 HG12 ILE 26 HG12 ILE 26 3.919 7.352 -3.990 207 HG13 ILE 26 HG13 ILE 26 4.921 6.340 -5.022 208 HG21 ILE 26 HG21 ILE 26 1.209 6.362 -4.936 209 HG22 ILE 26 HG22 ILE 26 1.651 6.507 -3.237 210 HG23 ILE 26 HG23 ILE 26 1.060 4.969 -3.865 211 HD11 ILE 26 HD11 ILE 26 3.392 6.727 -6.887 212 HD12 ILE 26 HD12 ILE 26 4.026 8.242 -6.244 213 HD13 ILE 26 HD13 ILE 26 2.385 7.735 -5.849 214 H GLU 27 H GLU 27 6.026 5.730 -3.200 215 HA GLU 27 HA GLU 27 7.457 3.943 -4.838 216 HB2 GLU 27 HB2 GLU 27 8.205 6.242 -4.316 217 HB3 GLU 27 HB3 GLU 27 8.466 5.773 -2.649 218 HG2 GLU 27 HG2 GLU 27 9.913 4.212 -4.697 219 HG3 GLU 27 HG3 GLU 27 10.411 5.888 -4.474 220 H LYS 28 H LYS 28 6.943 4.111 -1.354 221 HA LYS 28 HA LYS 28 8.717 2.009 -0.661 222 HB2 LYS 28 HB2 LYS 28 7.957 3.734 0.928 223 HB3 LYS 28 HB3 LYS 28 6.319 3.112 0.813 224 HG2 LYS 28 HG2 LYS 28 7.156 0.946 1.720 225 HG3 LYS 28 HG3 LYS 28 8.718 1.729 1.983 226 HD2 LYS 28 HD2 LYS 28 7.558 3.439 3.366 227 HD3 LYS 28 HD3 LYS 28 6.068 2.507 3.192 228 HE2 LYS 28 HE2 LYS 28 7.179 0.582 4.249 229 HE3 LYS 28 HE3 LYS 28 8.634 1.554 4.462 230 HZ1 LYS 28 HZ1 LYS 28 7.242 3.119 5.776 231 HZ2 LYS 28 HZ2 LYS 28 7.435 1.601 6.484 232 HZ3 LYS 28 HZ3 LYS 28 5.984 1.991 5.712 233 H GLY 29 H GLY 29 5.175 2.199 -1.141 234 HA2 GLY 29 HA2 GLY 29 4.581 -0.463 -0.540 235 HA3 GLY 29 HA3 GLY 29 3.616 0.601 -1.553 236 H GLU 30 H GLU 30 5.390 1.066 -3.580 237 HA GLU 30 HA GLU 30 4.967 -1.166 -5.241 238 HB2 GLU 30 HB2 GLU 30 5.333 1.188 -6.037 239 HB3 GLU 30 HB3 GLU 30 7.046 0.975 -5.689 240 HG2 GLU 30 HG2 GLU 30 7.032 -0.973 -7.253 241 HG3 GLU 30 HG3 GLU 30 5.392 -0.516 -7.703 242 H HIS 31 H HIS 31 7.830 -0.062 -3.510 243 HA HIS 31 HA HIS 31 9.645 -1.945 -4.532 244 HB2 HIS 31 HB2 HIS 31 10.243 0.145 -3.366 245 HB3 HIS 31 HB3 HIS 31 9.658 -0.542 -1.858 246 HD1 HIS 31 HD1 HIS 31 11.519 -1.324 -0.445 247 HD2 HIS 31 HD2 HIS 31 12.389 -1.729 -4.486 248 HE1 HIS 31 HE1 HIS 31 13.851 -2.248 -0.549 249 HE2 HIS 31 HE2 HIS 31 14.268 -2.671 -2.983 250 H GLN 32 H GLN 32 7.609 -1.966 -1.658 251 HA GLN 32 HA GLN 32 8.565 -4.512 -0.763 252 HB2 GLN 32 HB2 GLN 32 6.869 -4.465 0.950 253 HB3 GLN 32 HB3 GLN 32 7.564 -2.864 0.803 254 HG2 GLN 32 HG2 GLN 32 5.352 -2.353 1.022 255 HG3 GLN 32 HG3 GLN 32 5.483 -2.437 -0.732 256 HE21 GLN 32 HE21 GLN 32 4.404 -4.112 2.134 257 HE22 GLN 32 HE22 GLN 32 3.300 -5.172 1.332 258 H LEU 33 H LEU 33 6.163 -3.540 -3.029 259 HA LEU 33 HA LEU 33 4.708 -5.969 -3.120 260 HB2 LEU 33 HB2 LEU 33 3.852 -3.842 -4.034 261 HB3 LEU 33 HB3 LEU 33 5.114 -3.849 -5.244 262 HG LEU 33 HG LEU 33 2.689 -4.556 -5.882 263 HD11 LEU 33 HD11 LEU 33 3.523 -6.033 -7.613 264 HD12 LEU 33 HD12 LEU 33 5.045 -6.224 -6.737 265 HD13 LEU 33 HD13 LEU 33 4.593 -4.649 -7.394 266 HD21 LEU 33 HD21 LEU 33 3.729 -7.175 -4.783 267 HD22 LEU 33 HD22 LEU 33 2.229 -6.936 -5.678 268 HD23 LEU 33 HD23 LEU 33 2.426 -6.215 -4.081 269 H LEU 34 H LEU 34 7.480 -4.707 -4.989 270 HA LEU 34 HA LEU 34 7.825 -6.996 -6.607 271 HB2 LEU 34 HB2 LEU 34 9.580 -4.727 -5.731 272 HB3 LEU 34 HB3 LEU 34 10.248 -6.061 -6.642 273 HG LEU 34 HG LEU 34 9.731 -4.103 -7.994 274 HD11 LEU 34 HD11 LEU 34 9.768 -6.316 -9.023 275 HD12 LEU 34 HD12 LEU 34 8.584 -5.276 -9.811 276 HD13 LEU 34 HD13 LEU 34 8.052 -6.512 -8.673 277 HD21 LEU 34 HD21 LEU 34 7.416 -3.536 -8.551 278 HD22 LEU 34 HD22 LEU 34 7.791 -3.253 -6.850 279 HD23 LEU 34 HD23 LEU 34 6.860 -4.675 -7.324 280 H TYR 35 H TYR 35 8.615 -6.162 -3.418 281 HA TYR 35 HA TYR 35 10.681 -8.106 -2.977 282 HB2 TYR 35 HB2 TYR 35 10.567 -6.133 -1.535 283 HB3 TYR 35 HB3 TYR 35 8.984 -6.638 -0.948 284 HD1 TYR 35 HD1 TYR 35 12.565 -7.611 -1.034 285 HD2 TYR 35 HD2 TYR 35 8.792 -8.130 0.859 286 HE1 TYR 35 HE1 TYR 35 13.642 -8.924 0.744 287 HE2 TYR 35 HE2 TYR 35 9.857 -9.442 2.639 288 HH TYR 35 HH TYR 35 11.910 -10.817 2.918 289 H LEU 36 H LEU 36 7.245 -7.947 -1.837 290 HA LEU 36 HA LEU 36 7.229 -10.544 -0.795 291 HB2 LEU 36 HB2 LEU 36 4.955 -8.798 -1.725 292 HB3 LEU 36 HB3 LEU 36 4.787 -10.248 -0.758 293 HG LEU 36 HG LEU 36 6.223 -7.742 0.121 294 HD11 LEU 36 HD11 LEU 36 4.318 -7.424 1.612 295 HD12 LEU 36 HD12 LEU 36 3.520 -8.823 0.892 296 HD13 LEU 36 HD13 LEU 36 3.828 -7.383 -0.081 297 HD21 LEU 36 HD21 LEU 36 5.505 -10.258 1.622 298 HD22 LEU 36 HD22 LEU 36 6.202 -8.802 2.332 299 HD23 LEU 36 HD23 LEU 36 7.128 -9.743 1.165 300 H GLN 37 H GLN 37 6.523 -9.272 -3.997 301 HA GLN 37 HA GLN 37 5.165 -11.454 -5.065 302 HB2 GLN 37 HB2 GLN 37 5.592 -9.150 -6.101 303 HB3 GLN 37 HB3 GLN 37 7.140 -9.794 -6.623 304 HG2 GLN 37 HG2 GLN 37 6.025 -11.497 -7.934 305 HG3 GLN 37 HG3 GLN 37 4.454 -10.938 -7.360 306 HE21 GLN 37 HE21 GLN 37 3.642 -8.962 -8.113 307 HE22 GLN 37 HE22 GLN 37 4.271 -8.205 -9.529 308 H HIS 38 H HIS 38 8.624 -10.888 -4.623 309 HA HIS 38 HA HIS 38 9.464 -13.221 -6.018 310 HB2 HIS 38 HB2 HIS 38 10.787 -11.320 -4.140 311 HB3 HIS 38 HB3 HIS 38 11.544 -12.886 -4.407 312 HD1 HIS 38 HD1 HIS 38 12.497 -13.357 -6.759 313 HD2 HIS 38 HD2 HIS 38 10.886 -9.558 -6.309 314 HE1 HIS 38 HE1 HIS 38 13.289 -12.051 -8.745 315 HE2 HIS 38 HE2 HIS 38 12.080 -9.855 -8.576 316 H GLN 39 H GLN 39 8.757 -12.530 -2.627 317 HA GLN 39 HA GLN 39 9.381 -15.045 -1.615 318 HB2 GLN 39 HB2 GLN 39 7.317 -13.055 -0.673 319 HB3 GLN 39 HB3 GLN 39 7.710 -14.526 0.206 320 HG2 GLN 39 HG2 GLN 39 10.098 -13.732 0.248 321 HG3 GLN 39 HG3 GLN 39 9.507 -12.189 -0.370 322 HE21 GLN 39 HE21 GLN 39 9.604 -14.348 2.335 323 HE22 GLN 39 HE22 GLN 39 8.998 -13.230 3.506 324 H LEU 40 H LEU 40 6.306 -13.871 -2.993 325 HA LEU 40 HA LEU 40 4.750 -16.105 -2.836 326 HB2 LEU 40 HB2 LEU 40 3.768 -14.200 -3.757 327 HB3 LEU 40 HB3 LEU 40 5.063 -13.964 -4.909 328 HG LEU 40 HG LEU 40 4.237 -15.944 -6.177 329 HD11 LEU 40 HD11 LEU 40 1.870 -15.795 -4.323 330 HD12 LEU 40 HD12 LEU 40 3.086 -17.071 -4.327 331 HD13 LEU 40 HD13 LEU 40 2.043 -16.844 -5.730 332 HD21 LEU 40 HD21 LEU 40 2.246 -13.721 -5.750 333 HD22 LEU 40 HD22 LEU 40 2.301 -14.805 -7.140 334 HD23 LEU 40 HD23 LEU 40 3.631 -13.687 -6.842 335 H ASP 41 H ASP 41 7.197 -15.390 -5.377 336 HA ASP 41 HA ASP 41 6.864 -17.688 -6.884 337 HB2 ASP 41 HB2 ASP 41 8.188 -15.744 -7.586 338 HB3 ASP 41 HB3 ASP 41 9.380 -16.099 -6.340 339 H GLU 42 H GLU 42 8.763 -17.110 -4.013 340 HA GLU 42 HA GLU 42 10.084 -19.635 -3.889 341 HB2 GLU 42 HB2 GLU 42 10.863 -17.646 -2.657 342 HB3 GLU 42 HB3 GLU 42 9.402 -17.674 -1.683 343 HG2 GLU 42 HG2 GLU 42 10.079 -19.915 -0.860 344 HG3 GLU 42 HG3 GLU 42 11.608 -19.709 -1.715 345 H LEU 43 H LEU 43 7.220 -18.319 -2.429 346 HA LEU 43 HA LEU 43 6.345 -20.449 -0.848 347 HB2 LEU 43 HB2 LEU 43 5.285 -18.215 -0.847 348 HB3 LEU 43 HB3 LEU 43 4.552 -18.576 -2.397 349 HG LEU 43 HG LEU 43 3.303 -20.448 -1.311 350 HD11 LEU 43 HD11 LEU 43 4.439 -19.292 1.209 351 HD12 LEU 43 HD12 LEU 43 4.787 -20.885 0.531 352 HD13 LEU 43 HD13 LEU 43 3.166 -20.508 1.113 353 HD21 LEU 43 HD21 LEU 43 2.889 -17.723 -0.100 354 HD22 LEU 43 HD22 LEU 43 1.700 -19.022 -0.155 355 HD23 LEU 43 HD23 LEU 43 2.256 -18.273 -1.651 356 H ASN 44 H ASN 44 5.879 -19.951 -4.300 357 HA ASN 44 HA ASN 44 4.088 -22.027 -4.853 358 HB2 ASN 44 HB2 ASN 44 6.184 -20.586 -6.422 359 HB3 ASN 44 HB3 ASN 44 5.447 -22.023 -7.119 360 HD21 ASN 44 HD21 ASN 44 4.910 -18.750 -6.041 361 HD22 ASN 44 HD22 ASN 44 3.391 -18.550 -6.834 362 H GLU 45 H GLU 45 7.529 -22.032 -4.430 363 HA GLU 45 HA GLU 45 7.865 -24.767 -5.236 364 HB2 GLU 45 HB2 GLU 45 9.774 -22.881 -3.863 365 HB3 GLU 45 HB3 GLU 45 10.197 -24.432 -4.577 366 HG2 GLU 45 HG2 GLU 45 9.004 -22.153 -6.131 367 HG3 GLU 45 HG3 GLU 45 10.738 -22.430 -5.967 368 H ASN 46 H ASN 46 7.876 -23.033 -2.089 369 HA ASN 46 HA ASN 46 8.620 -25.417 -0.650 370 HB2 ASN 46 HB2 ASN 46 7.768 -22.672 0.289 371 HB3 ASN 46 HB3 ASN 46 8.312 -23.966 1.350 372 HD21 ASN 46 HD21 ASN 46 9.419 -21.308 0.900 373 HD22 ASN 46 HD22 ASN 46 11.048 -21.555 0.395 374 H LYS 47 H LYS 47 5.802 -23.607 -1.314 375 HA LYS 47 HA LYS 47 3.481 -23.881 -0.833 376 HB2 LYS 47 HB2 LYS 47 4.373 -26.737 -0.286 377 HB3 LYS 47 HB3 LYS 47 2.697 -26.221 -0.407 378 HG2 LYS 47 HG2 LYS 47 4.710 -25.999 -2.638 379 HG3 LYS 47 HG3 LYS 47 3.576 -27.335 -2.449 380 HD2 LYS 47 HD2 LYS 47 1.701 -25.739 -2.623 381 HD3 LYS 47 HD3 LYS 47 2.854 -24.422 -2.846 382 HE2 LYS 47 HE2 LYS 47 1.950 -25.156 -4.978 383 HE3 LYS 47 HE3 LYS 47 3.678 -25.476 -4.884 384 HZ1 LYS 47 HZ1 LYS 47 3.245 -27.785 -4.491 385 HZ2 LYS 47 HZ2 LYS 47 2.348 -27.309 -5.846 386 HZ3 LYS 47 HZ3 LYS 47 1.579 -27.513 -4.361 387 H SER 48 H SER 48 5.578 -23.305 1.174 388 HA SER 48 HA SER 48 4.989 -24.443 3.681 389 HB2 SER 48 HB2 SER 48 7.103 -23.436 3.480 390 HB3 SER 48 HB3 SER 48 6.426 -21.917 2.894 391 HG SER 48 HG SER 48 6.026 -22.971 5.525 392 H LYS 49 H LYS 49 3.224 -24.294 4.782 393 HA LYS 49 HA LYS 49 1.221 -22.406 4.455 394 HB2 LYS 49 HB2 LYS 49 0.283 -23.282 6.577 395 HB3 LYS 49 HB3 LYS 49 0.735 -24.562 5.466 396 HG2 LYS 49 HG2 LYS 49 2.611 -23.705 7.635 397 HG3 LYS 49 HG3 LYS 49 1.275 -24.795 7.991 398 HD2 LYS 49 HD2 LYS 49 2.123 -26.396 6.344 399 HD3 LYS 49 HD3 LYS 49 3.428 -25.294 5.917 400 HE2 LYS 49 HE2 LYS 49 4.263 -25.421 8.217 401 HE3 LYS 49 HE3 LYS 49 3.004 -26.600 8.597 402 HZ1 LYS 49 HZ1 LYS 49 3.983 -28.017 6.823 403 HZ2 LYS 49 HZ2 LYS 49 5.010 -27.760 8.134 404 HZ3 LYS 49 HZ3 LYS 49 5.264 -26.917 6.694 405 H GLU 50 H GLU 50 3.968 -22.526 6.677 406 HA GLU 50 HA GLU 50 3.303 -20.281 8.220 407 HB2 GLU 50 HB2 GLU 50 6.125 -21.115 7.559 408 HB3 GLU 50 HB3 GLU 50 5.558 -20.297 9.006 409 HG2 GLU 50 HG2 GLU 50 5.769 -22.374 9.857 410 HG3 GLU 50 HG3 GLU 50 4.130 -22.529 9.226 411 H LEU 51 H LEU 51 5.321 -20.550 5.294 412 HA LEU 51 HA LEU 51 5.918 -17.818 5.135 413 HB2 LEU 51 HB2 LEU 51 7.074 -19.579 3.842 414 HB3 LEU 51 HB3 LEU 51 5.630 -19.809 2.879 415 HG LEU 51 HG LEU 51 5.859 -17.515 2.004 416 HD11 LEU 51 HD11 LEU 51 8.424 -17.483 3.587 417 HD12 LEU 51 HD12 LEU 51 7.002 -16.480 3.874 418 HD13 LEU 51 HD13 LEU 51 7.939 -16.277 2.395 419 HD21 LEU 51 HD21 LEU 51 8.322 -19.224 1.694 420 HD22 LEU 51 HD22 LEU 51 7.809 -17.940 0.598 421 HD23 LEU 51 HD23 LEU 51 6.821 -19.386 0.784 422 H GLN 52 H GLN 52 3.214 -19.720 3.856 423 HA GLN 52 HA GLN 52 1.884 -17.699 2.451 424 HB2 GLN 52 HB2 GLN 52 1.164 -20.019 2.327 425 HB3 GLN 52 HB3 GLN 52 0.755 -20.018 4.035 426 HG2 GLN 52 HG2 GLN 52 -0.908 -18.176 3.469 427 HG3 GLN 52 HG3 GLN 52 -0.644 -18.618 1.783 428 HE21 GLN 52 HE21 GLN 52 -1.917 -19.636 4.851 429 HE22 GLN 52 HE22 GLN 52 -2.843 -20.961 4.247 430 H GLU 53 H GLU 53 1.597 -18.672 5.900 431 HA GLU 53 HA GLU 53 -0.325 -16.923 6.727 432 HB2 GLU 53 HB2 GLU 53 0.422 -18.808 8.010 433 HB3 GLU 53 HB3 GLU 53 2.059 -18.186 8.072 434 HG2 GLU 53 HG2 GLU 53 1.104 -17.868 10.184 435 HG3 GLU 53 HG3 GLU 53 1.196 -16.288 9.408 436 H LYS 54 H LYS 54 3.208 -16.529 6.750 437 HA LYS 54 HA LYS 54 3.234 -13.953 7.904 438 HB2 LYS 54 HB2 LYS 54 5.261 -15.234 6.069 439 HB3 LYS 54 HB3 LYS 54 5.522 -13.753 6.977 440 HG2 LYS 54 HG2 LYS 54 5.118 -15.067 9.068 441 HG3 LYS 54 HG3 LYS 54 5.100 -16.524 8.072 442 HD2 LYS 54 HD2 LYS 54 7.306 -16.201 9.046 443 HD3 LYS 54 HD3 LYS 54 7.377 -15.991 7.294 444 HE2 LYS 54 HE2 LYS 54 7.335 -13.567 7.568 445 HE3 LYS 54 HE3 LYS 54 7.206 -13.754 9.315 446 HZ1 LYS 54 HZ1 LYS 54 9.459 -13.255 8.569 447 HZ2 LYS 54 HZ2 LYS 54 9.492 -14.683 7.670 448 HZ3 LYS 54 HZ3 LYS 54 9.381 -14.748 9.354 449 H ILE 55 H ILE 55 3.275 -14.983 4.566 450 HA ILE 55 HA ILE 55 3.549 -12.393 3.439 451 HB ILE 55 HB ILE 55 2.345 -14.862 2.166 452 HG12 ILE 55 HG12 ILE 55 5.069 -13.570 1.839 453 HG13 ILE 55 HG13 ILE 55 4.745 -15.017 2.788 454 HG21 ILE 55 HG21 ILE 55 2.746 -13.657 0.016 455 HG22 ILE 55 HG22 ILE 55 3.069 -12.195 0.950 456 HG23 ILE 55 HG23 ILE 55 1.474 -12.946 1.008 457 HD11 ILE 55 HD11 ILE 55 5.702 -15.568 0.626 458 HD12 ILE 55 HD12 ILE 55 4.376 -14.737 -0.188 459 HD13 ILE 55 HD13 ILE 55 4.057 -16.189 0.761 460 H ILE 56 H ILE 56 0.634 -14.378 3.959 461 HA ILE 56 HA ILE 56 -1.257 -12.521 3.041 462 HB ILE 56 HB ILE 56 -1.466 -14.694 5.135 463 HG12 ILE 56 HG12 ILE 56 -1.122 -15.373 2.769 464 HG13 ILE 56 HG13 ILE 56 -2.657 -15.928 3.431 465 HG21 ILE 56 HG21 ILE 56 -3.726 -13.019 4.039 466 HG22 ILE 56 HG22 ILE 56 -3.125 -13.007 5.695 467 HG23 ILE 56 HG23 ILE 56 -3.906 -14.452 5.052 468 HD11 ILE 56 HD11 ILE 56 -2.234 -13.600 1.571 469 HD12 ILE 56 HD12 ILE 56 -3.776 -14.041 2.303 470 HD13 ILE 56 HD13 ILE 56 -2.981 -15.151 1.190 471 H ARG 57 H ARG 57 0.123 -12.961 6.272 472 HA ARG 57 HA ARG 57 -1.565 -11.048 7.503 473 HB2 ARG 57 HB2 ARG 57 0.814 -12.624 8.309 474 HB3 ARG 57 HB3 ARG 57 0.454 -11.186 9.249 475 HG2 ARG 57 HG2 ARG 57 -0.501 -13.349 10.125 476 HG3 ARG 57 HG3 ARG 57 -1.650 -12.030 9.922 477 HD2 ARG 57 HD2 ARG 57 -2.502 -12.990 7.903 478 HD3 ARG 57 HD3 ARG 57 -1.214 -14.190 7.868 479 HE ARG 57 HE ARG 57 -2.213 -15.208 9.827 480 HH11 ARG 57 HH11 ARG 57 -4.238 -12.952 8.033 481 HH12 ARG 57 HH12 ARG 57 -5.722 -13.651 8.567 482 HH21 ARG 57 HH21 ARG 57 -4.186 -16.135 10.529 483 HH22 ARG 57 HH22 ARG 57 -5.693 -15.486 9.990 484 H GLU 58 H GLU 58 1.906 -10.800 6.459 485 HA GLU 58 HA GLU 58 2.006 -8.102 7.281 486 HB2 GLU 58 HB2 GLU 58 3.821 -9.682 5.465 487 HB3 GLU 58 HB3 GLU 58 4.146 -8.034 5.989 488 HG2 GLU 58 HG2 GLU 58 4.041 -8.850 8.345 489 HG3 GLU 58 HG3 GLU 58 3.941 -10.488 7.713 490 H LEU 59 H LEU 59 1.188 -9.652 4.249 491 HA LEU 59 HA LEU 59 1.294 -7.304 2.662 492 HB2 LEU 59 HB2 LEU 59 1.236 -9.588 1.710 493 HB3 LEU 59 HB3 LEU 59 -0.406 -9.774 2.279 494 HG LEU 59 HG LEU 59 -1.218 -8.155 0.695 495 HD11 LEU 59 HD11 LEU 59 1.674 -7.714 -0.049 496 HD12 LEU 59 HD12 LEU 59 0.628 -6.559 0.779 497 HD13 LEU 59 HD13 LEU 59 0.282 -7.027 -0.885 498 HD21 LEU 59 HD21 LEU 59 0.762 -9.983 -0.647 499 HD22 LEU 59 HD22 LEU 59 -0.670 -9.264 -1.383 500 HD23 LEU 59 HD23 LEU 59 -0.842 -10.450 -0.091 501 H ASP 60 H ASP 60 -1.325 -8.879 4.451 502 HA ASP 60 HA ASP 60 -3.408 -7.150 3.722 503 HB2 ASP 60 HB2 ASP 60 -3.737 -9.340 4.826 504 HB3 ASP 60 HB3 ASP 60 -3.081 -8.670 6.311 505 H VAL 61 H VAL 61 -1.203 -7.019 6.464 506 HA VAL 61 HA VAL 61 -2.449 -4.753 7.666 507 HB VAL 61 HB VAL 61 -0.476 -4.455 9.066 508 HG11 VAL 61 HG11 VAL 61 -0.429 -6.657 10.136 509 HG12 VAL 61 HG12 VAL 61 -1.233 -7.345 8.725 510 HG13 VAL 61 HG13 VAL 61 -2.061 -6.143 9.715 511 HG21 VAL 61 HG21 VAL 61 0.813 -6.532 7.307 512 HG22 VAL 61 HG22 VAL 61 1.474 -5.958 8.839 513 HG23 VAL 61 HG23 VAL 61 1.300 -4.846 7.481 514 H VAL 62 H VAL 62 0.163 -5.034 5.320 515 HA VAL 62 HA VAL 62 0.744 -2.248 5.258 516 HB VAL 62 HB VAL 62 1.289 -4.387 3.178 517 HG11 VAL 62 HG11 VAL 62 2.355 -1.566 3.357 518 HG12 VAL 62 HG12 VAL 62 1.230 -2.172 2.144 519 HG13 VAL 62 HG13 VAL 62 2.878 -2.792 2.205 520 HG21 VAL 62 HG21 VAL 62 3.594 -4.262 4.034 521 HG22 VAL 62 HG22 VAL 62 2.452 -4.769 5.282 522 HG23 VAL 62 HG23 VAL 62 3.063 -3.114 5.265 523 H CYS 63 H CYS 63 -1.406 -4.354 3.472 524 HA CYS 63 HA CYS 63 -2.279 -2.476 1.540 525 HB2 CYS 63 HB2 CYS 63 -3.740 -4.836 2.753 526 HB3 CYS 63 HB3 CYS 63 -4.343 -3.903 1.389 527 HG CYS 63 HG CYS 63 -1.550 -5.861 1.470 528 H ALA 64 H ALA 64 -3.359 -3.240 4.786 529 HA ALA 64 HA ALA 64 -5.643 -1.571 4.818 530 HB1 ALA 64 HB1 ALA 64 -5.604 -1.887 7.223 531 HB2 ALA 64 HB2 ALA 64 -3.957 -2.514 7.125 532 HB3 ALA 64 HB3 ALA 64 -5.287 -3.414 6.394 533 H MET 65 H MET 65 -2.325 -1.048 6.076 534 HA MET 65 HA MET 65 -2.899 1.576 6.985 535 HB2 MET 65 HB2 MET 65 -0.569 1.830 7.415 536 HB3 MET 65 HB3 MET 65 -0.971 0.157 7.763 537 HG2 MET 65 HG2 MET 65 -0.059 -0.489 5.574 538 HG3 MET 65 HG3 MET 65 0.388 1.191 5.289 539 HE1 MET 65 HE1 MET 65 2.278 -1.602 8.423 540 HE2 MET 65 HE2 MET 65 1.082 -2.071 7.213 541 HE3 MET 65 HE3 MET 65 0.613 -1.037 8.559 542 H ILE 66 H ILE 66 -1.729 0.311 3.920 543 HA ILE 66 HA ILE 66 -1.121 2.833 2.777 544 HB ILE 66 HB ILE 66 -1.337 0.052 1.774 545 HG12 ILE 66 HG12 ILE 66 0.770 0.611 0.676 546 HG13 ILE 66 HG13 ILE 66 0.546 2.312 1.055 547 HG21 ILE 66 HG21 ILE 66 -1.680 2.361 -0.136 548 HG22 ILE 66 HG22 ILE 66 -2.872 1.112 0.214 549 HG23 ILE 66 HG23 ILE 66 -1.364 0.689 -0.596 550 HD11 ILE 66 HD11 ILE 66 0.943 0.117 3.083 551 HD12 ILE 66 HD12 ILE 66 0.798 1.843 3.417 552 HD13 ILE 66 HD13 ILE 66 2.185 1.234 2.515 553 H GLU 67 H GLU 67 -4.015 0.804 2.734 554 HA GLU 67 HA GLU 67 -5.560 2.472 1.026 555 HB2 GLU 67 HB2 GLU 67 -6.384 0.465 3.128 556 HB3 GLU 67 HB3 GLU 67 -7.537 1.319 2.119 557 HG2 GLU 67 HG2 GLU 67 -6.524 0.331 0.129 558 HG3 GLU 67 HG3 GLU 67 -5.376 -0.533 1.152 559 H GLY 68 H GLY 68 -4.911 2.420 4.442 560 HA2 GLY 68 HA2 GLY 68 -6.901 4.254 5.247 561 HA3 GLY 68 HA3 GLY 68 -5.438 3.853 6.138 562 H ALA 69 H ALA 69 -3.476 4.661 4.381 563 HA ALA 69 HA ALA 69 -3.483 7.459 4.842 564 HB1 ALA 69 HB1 ALA 69 -1.445 6.122 4.989 565 HB2 ALA 69 HB2 ALA 69 -1.277 7.416 3.800 566 HB3 ALA 69 HB3 ALA 69 -1.558 5.758 3.267 567 H GLN 70 H GLN 70 -3.781 5.436 1.956 568 HA GLN 70 HA GLN 70 -3.624 7.611 0.123 569 HB2 GLN 70 HB2 GLN 70 -4.377 6.119 -1.623 570 HB3 GLN 70 HB3 GLN 70 -3.253 5.248 -0.601 571 HG2 GLN 70 HG2 GLN 70 -4.827 3.637 -0.797 572 HG3 GLN 70 HG3 GLN 70 -5.525 4.496 0.572 573 HE21 GLN 70 HE21 GLN 70 -5.528 5.602 -2.776 574 HE22 GLN 70 HE22 GLN 70 -7.237 5.535 -2.985 575 H GLY 71 H GLY 71 -6.234 6.049 1.745 576 HA2 GLY 71 HA2 GLY 71 -8.370 7.476 0.484 577 HA3 GLY 71 HA3 GLY 71 -8.490 6.630 2.021 578 H ALA 72 H ALA 72 -6.499 8.018 3.350 579 HA ALA 72 HA ALA 72 -8.032 10.177 4.405 580 HB1 ALA 72 HB1 ALA 72 -5.147 9.494 4.944 581 HB2 ALA 72 HB2 ALA 72 -6.536 8.836 5.809 582 HB3 ALA 72 HB3 ALA 72 -6.166 10.558 5.912 583 H LEU 73 H LEU 73 -4.870 10.118 2.737 584 HA LEU 73 HA LEU 73 -4.704 12.917 2.583 585 HB2 LEU 73 HB2 LEU 73 -2.881 12.554 0.929 586 HB3 LEU 73 HB3 LEU 73 -2.671 11.692 2.433 587 HG LEU 73 HG LEU 73 -3.670 9.670 1.097 588 HD11 LEU 73 HD11 LEU 73 -4.293 10.912 -0.898 589 HD12 LEU 73 HD12 LEU 73 -3.080 9.686 -1.268 590 HD13 LEU 73 HD13 LEU 73 -2.611 11.380 -1.144 591 HD21 LEU 73 HD21 LEU 73 -1.424 9.747 2.016 592 HD22 LEU 73 HD22 LEU 73 -0.875 10.706 0.641 593 HD23 LEU 73 HD23 LEU 73 -1.406 9.040 0.399 594 H GLU 74 H GLU 74 -6.110 10.552 0.415 595 HA GLU 74 HA GLU 74 -6.486 12.096 -1.876 596 HB2 GLU 74 HB2 GLU 74 -6.932 9.729 -1.853 597 HB3 GLU 74 HB3 GLU 74 -8.146 9.913 -0.604 598 HG2 GLU 74 HG2 GLU 74 -9.242 9.458 -2.622 599 HG3 GLU 74 HG3 GLU 74 -9.542 11.159 -2.259 600 H ARG 75 H ARG 75 -8.682 11.637 0.867 601 HA ARG 75 HA ARG 75 -10.688 13.398 0.019 602 HB2 ARG 75 HB2 ARG 75 -10.929 11.668 1.792 603 HB3 ARG 75 HB3 ARG 75 -9.954 12.666 2.859 604 HG2 ARG 75 HG2 ARG 75 -12.271 12.950 3.401 605 HG3 ARG 75 HG3 ARG 75 -11.653 14.442 2.691 606 HD2 ARG 75 HD2 ARG 75 -12.612 13.779 0.523 607 HD3 ARG 75 HD3 ARG 75 -13.276 12.330 1.277 608 HE ARG 75 HE ARG 75 -14.076 14.698 2.635 609 HH11 ARG 75 HH11 ARG 75 -14.766 12.720 -0.173 610 HH12 ARG 75 HH12 ARG 75 -16.402 13.253 -0.305 611 HH21 ARG 75 HH21 ARG 75 -16.236 15.412 2.462 612 HH22 ARG 75 HH22 ARG 75 -17.250 14.790 1.210 613 H GLU 76 H GLU 76 -7.825 13.931 1.965 614 HA GLU 76 HA GLU 76 -8.478 16.636 2.610 615 HB2 GLU 76 HB2 GLU 76 -7.003 15.365 4.067 616 HB3 GLU 76 HB3 GLU 76 -5.829 15.192 2.770 617 HG2 GLU 76 HG2 GLU 76 -5.278 17.486 2.833 618 HG3 GLU 76 HG3 GLU 76 -6.668 17.866 3.846 619 H LEU 77 H LEU 77 -5.986 15.282 0.369 620 HA LEU 77 HA LEU 77 -5.232 17.734 -0.639 621 HB2 LEU 77 HB2 LEU 77 -4.268 16.521 -2.561 622 HB3 LEU 77 HB3 LEU 77 -3.827 15.834 -1.020 623 HG LEU 77 HG LEU 77 -5.629 14.071 -1.465 624 HD11 LEU 77 HD11 LEU 77 -6.206 13.653 -3.776 625 HD12 LEU 77 HD12 LEU 77 -5.347 15.112 -4.276 626 HD13 LEU 77 HD13 LEU 77 -6.789 15.238 -3.270 627 HD21 LEU 77 HD21 LEU 77 -3.194 14.216 -3.231 628 HD22 LEU 77 HD22 LEU 77 -4.109 12.755 -2.858 629 HD23 LEU 77 HD23 LEU 77 -3.256 13.610 -1.576 630 H LYS 78 H LYS 78 -8.185 16.112 -1.202 631 HA LYS 78 HA LYS 78 -8.463 17.114 -3.862 632 HB2 LYS 78 HB2 LYS 78 -10.061 15.450 -2.050 633 HB3 LYS 78 HB3 LYS 78 -10.967 16.387 -3.258 634 HG2 LYS 78 HG2 LYS 78 -8.615 14.631 -3.911 635 HG3 LYS 78 HG3 LYS 78 -10.292 14.065 -3.986 636 HD2 LYS 78 HD2 LYS 78 -10.764 15.371 -5.832 637 HD3 LYS 78 HD3 LYS 78 -9.527 16.562 -5.439 638 HE2 LYS 78 HE2 LYS 78 -8.913 15.286 -7.430 639 HE3 LYS 78 HE3 LYS 78 -7.784 14.982 -6.113 640 HZ1 LYS 78 HZ1 LYS 78 -8.528 13.000 -7.418 641 HZ2 LYS 78 HZ2 LYS 78 -10.059 13.186 -6.714 642 HZ3 LYS 78 HZ3 LYS 78 -8.713 12.865 -5.733 643 H ARG 79 H ARG 79 -8.894 18.286 -0.716 644 HA ARG 79 HA ARG 79 -10.744 20.383 -1.510 645 HB2 ARG 79 HB2 ARG 79 -9.377 19.704 1.086 646 HB3 ARG 79 HB3 ARG 79 -10.278 21.194 0.869 647 HG2 ARG 79 HG2 ARG 79 -12.282 19.836 0.326 648 HG3 ARG 79 HG3 ARG 79 -11.349 18.388 0.719 649 HD2 ARG 79 HD2 ARG 79 -11.006 19.170 2.972 650 HD3 ARG 79 HD3 ARG 79 -11.788 20.701 2.600 651 HE ARG 79 HE ARG 79 -13.567 18.577 2.079 652 HH11 ARG 79 HH11 ARG 79 -12.040 20.243 4.763 653 HH12 ARG 79 HH12 ARG 79 -13.344 19.944 5.858 654 HH21 ARG 79 HH21 ARG 79 -15.305 18.174 3.535 655 HH22 ARG 79 HH22 ARG 79 -15.204 18.763 5.158 656 H THR 80 H THR 80 -7.350 19.906 -0.825 657 HA THR 80 HA THR 80 -6.735 22.695 -0.840 658 HB THR 80 HB THR 80 -4.342 21.840 -0.899 659 HG1 THR 80 HG1 THR 80 -4.639 19.806 -1.791 660 HG21 THR 80 HG21 THR 80 -4.429 21.046 1.427 661 HG22 THR 80 HG22 THR 80 -6.174 20.833 1.287 662 HG23 THR 80 HG23 THR 80 -5.471 22.448 1.190 663 H ASP 81 H ASP 81 -7.545 20.599 -3.378 664 HA ASP 81 HA ASP 81 -5.672 21.275 -5.306 665 HB2 ASP 81 HB2 ASP 81 -7.049 19.377 -5.665 666 HB3 ASP 81 HB3 ASP 81 -8.518 20.282 -5.334 667 H LEU 82 H LEU 82 -5.290 23.300 -6.004 668 HA LEU 82 HA LEU 82 -7.473 24.770 -7.136 669 HB2 LEU 82 HB2 LEU 82 -6.989 25.440 -4.608 670 HB3 LEU 82 HB3 LEU 82 -5.619 26.265 -5.315 671 HG LEU 82 HG LEU 82 -7.533 27.766 -4.907 672 HD11 LEU 82 HD11 LEU 82 -7.615 28.822 -7.115 673 HD12 LEU 82 HD12 LEU 82 -6.871 27.383 -7.816 674 HD13 LEU 82 HD13 LEU 82 -5.977 28.361 -6.652 675 HD21 LEU 82 HD21 LEU 82 -8.954 26.109 -6.986 676 HD22 LEU 82 HD22 LEU 82 -9.548 27.599 -6.254 677 HD23 LEU 82 HD23 LEU 82 -9.332 26.156 -5.262 678 H ASN 83 H ASN 83 -6.219 23.858 -8.896 679 HA ASN 83 HA ASN 83 -4.631 25.552 -10.297 680 HB2 ASN 83 HB2 ASN 83 -3.027 25.221 -8.330 681 HB3 ASN 83 HB3 ASN 83 -2.764 23.596 -8.962 682 HD21 ASN 83 HD21 ASN 83 -2.277 26.977 -9.481 683 HD22 ASN 83 HD22 ASN 83 -1.153 26.828 -10.780 684 H ILE 84 H ILE 84 -4.404 24.756 -12.307 685 HA ILE 84 HA ILE 84 -5.538 22.329 -13.086 686 HB ILE 84 HB ILE 84 -3.504 23.981 -14.602 687 HG12 ILE 84 HG12 ILE 84 -5.477 25.283 -13.965 688 HG13 ILE 84 HG13 ILE 84 -5.457 24.997 -15.700 689 HG21 ILE 84 HG21 ILE 84 -3.720 21.732 -15.533 690 HG22 ILE 84 HG22 ILE 84 -4.406 22.938 -16.621 691 HG23 ILE 84 HG23 ILE 84 -5.470 21.937 -15.633 692 HD11 ILE 84 HD11 ILE 84 -7.134 23.532 -13.672 693 HD12 ILE 84 HD12 ILE 84 -7.098 23.203 -15.406 694 HD13 ILE 84 HD13 ILE 84 -7.690 24.756 -14.815 695 H LEU 85 H LEU 85 -2.222 23.091 -12.277 696 HA LEU 85 HA LEU 85 -1.086 20.669 -13.304 697 HB2 LEU 85 HB2 LEU 85 0.304 22.636 -13.011 698 HB3 LEU 85 HB3 LEU 85 -0.027 22.649 -11.290 699 HG LEU 85 HG LEU 85 1.119 20.422 -11.139 700 HD11 LEU 85 HD11 LEU 85 0.931 19.723 -13.437 701 HD12 LEU 85 HD12 LEU 85 2.631 19.809 -12.967 702 HD13 LEU 85 HD13 LEU 85 1.923 21.083 -13.961 703 HD21 LEU 85 HD21 LEU 85 3.368 21.370 -11.234 704 HD22 LEU 85 HD22 LEU 85 2.220 22.477 -10.485 705 HD23 LEU 85 HD23 LEU 85 2.748 22.748 -12.147 706 H GLU 86 H GLU 86 -1.892 21.818 -10.038 707 HA GLU 86 HA GLU 86 -1.218 19.468 -8.702 708 HB2 GLU 86 HB2 GLU 86 -2.946 21.796 -8.045 709 HB3 GLU 86 HB3 GLU 86 -3.091 20.353 -7.052 710 HG2 GLU 86 HG2 GLU 86 -1.522 21.948 -6.084 711 HG3 GLU 86 HG3 GLU 86 -0.723 20.443 -6.529 712 H ARG 87 H ARG 87 -4.263 20.396 -10.300 713 HA ARG 87 HA ARG 87 -5.831 18.277 -9.447 714 HB2 ARG 87 HB2 ARG 87 -6.717 20.163 -10.723 715 HB3 ARG 87 HB3 ARG 87 -5.768 19.689 -12.124 716 HG2 ARG 87 HG2 ARG 87 -8.053 19.043 -12.459 717 HG3 ARG 87 HG3 ARG 87 -7.069 17.593 -12.254 718 HD2 ARG 87 HD2 ARG 87 -9.180 17.436 -11.023 719 HD3 ARG 87 HD3 ARG 87 -7.791 17.409 -9.937 720 HE ARG 87 HE ARG 87 -8.299 19.621 -9.255 721 HH11 ARG 87 HH11 ARG 87 -10.739 18.223 -11.379 722 HH12 ARG 87 HH12 ARG 87 -11.979 19.327 -10.909 723 HH21 ARG 87 HH21 ARG 87 -9.920 21.076 -8.633 724 HH22 ARG 87 HH22 ARG 87 -11.511 20.993 -9.337 725 H PHE 88 H PHE 88 -3.706 18.552 -12.259 726 HA PHE 88 HA PHE 88 -4.057 15.958 -13.255 727 HB2 PHE 88 HB2 PHE 88 -3.089 17.668 -14.644 728 HB3 PHE 88 HB3 PHE 88 -1.764 17.910 -13.511 729 HD1 PHE 88 HD1 PHE 88 -3.292 15.153 -15.510 730 HD2 PHE 88 HD2 PHE 88 0.255 16.998 -14.058 731 HE1 PHE 88 HE1 PHE 88 -1.938 13.524 -16.759 732 HE2 PHE 88 HE2 PHE 88 1.615 15.371 -15.302 733 HZ PHE 88 HZ PHE 88 0.516 13.632 -16.653 734 H ASN 89 H ASN 89 -1.679 17.304 -11.032 735 HA ASN 89 HA ASN 89 -0.093 15.018 -10.670 736 HB2 ASN 89 HB2 ASN 89 -0.690 17.303 -8.782 737 HB3 ASN 89 HB3 ASN 89 0.490 16.047 -8.425 738 HD21 ASN 89 HD21 ASN 89 0.839 18.943 -8.798 739 HD22 ASN 89 HD22 ASN 89 1.995 19.102 -10.063 740 H TYR 90 H TYR 90 -2.788 16.178 -8.671 741 HA TYR 90 HA TYR 90 -2.945 14.086 -6.863 742 HB2 TYR 90 HB2 TYR 90 -5.143 15.797 -8.027 743 HB3 TYR 90 HB3 TYR 90 -5.364 14.720 -6.656 744 HD1 TYR 90 HD1 TYR 90 -2.120 16.073 -6.445 745 HD2 TYR 90 HD2 TYR 90 -6.196 17.078 -5.850 746 HE1 TYR 90 HE1 TYR 90 -1.439 17.862 -4.907 747 HE2 TYR 90 HE2 TYR 90 -5.544 18.861 -4.331 748 HH TYR 90 HH TYR 90 -2.458 20.074 -4.104 749 H GLU 91 H GLU 91 -4.746 14.469 -9.879 750 HA GLU 91 HA GLU 91 -6.129 12.031 -9.773 751 HB2 GLU 91 HB2 GLU 91 -5.801 14.224 -11.603 752 HB3 GLU 91 HB3 GLU 91 -5.775 12.702 -12.480 753 HG2 GLU 91 HG2 GLU 91 -8.030 13.675 -12.312 754 HG3 GLU 91 HG3 GLU 91 -7.916 12.078 -11.576 755 H GLU 92 H GLU 92 -2.982 12.862 -11.154 756 HA GLU 92 HA GLU 92 -2.526 10.348 -12.373 757 HB2 GLU 92 HB2 GLU 92 -1.199 12.312 -12.997 758 HB3 GLU 92 HB3 GLU 92 -0.515 12.383 -11.379 759 HG2 GLU 92 HG2 GLU 92 0.652 10.320 -11.707 760 HG3 GLU 92 HG3 GLU 92 -0.164 10.050 -13.245 761 H ALA 93 H ALA 93 -1.555 11.643 -9.156 762 HA ALA 93 HA ALA 93 -0.213 9.375 -8.286 763 HB1 ALA 93 HB1 ALA 93 -1.802 11.360 -6.659 764 HB2 ALA 93 HB2 ALA 93 -0.124 11.556 -7.163 765 HB3 ALA 93 HB3 ALA 93 -0.563 10.266 -6.044 766 H GLN 94 H GLN 94 -3.623 10.266 -8.139 767 HA GLN 94 HA GLN 94 -4.564 8.085 -6.646 768 HB2 GLN 94 HB2 GLN 94 -5.923 10.083 -7.154 769 HB3 GLN 94 HB3 GLN 94 -5.967 9.618 -8.848 770 HG2 GLN 94 HG2 GLN 94 -7.145 7.541 -8.202 771 HG3 GLN 94 HG3 GLN 94 -7.188 8.128 -6.539 772 HE21 GLN 94 HE21 GLN 94 -8.472 9.883 -6.026 773 HE22 GLN 94 HE22 GLN 94 -9.771 10.404 -7.058 774 H THR 95 H THR 95 -4.030 8.527 -10.074 775 HA THR 95 HA THR 95 -5.077 6.103 -10.973 776 HB THR 95 HB THR 95 -2.784 7.661 -12.179 777 HG1 THR 95 HG1 THR 95 -4.623 8.962 -12.053 778 HG21 THR 95 HG21 THR 95 -2.984 5.355 -13.046 779 HG22 THR 95 HG22 THR 95 -3.413 6.550 -14.271 780 HG23 THR 95 HG23 THR 95 -4.679 5.656 -13.428 781 H LEU 96 H LEU 96 -1.721 6.923 -10.019 782 HA LEU 96 HA LEU 96 -0.721 4.345 -10.629 783 HB2 LEU 96 HB2 LEU 96 0.434 6.469 -8.825 784 HB3 LEU 96 HB3 LEU 96 1.287 5.064 -9.432 785 HG LEU 96 HG LEU 96 0.232 7.341 -11.114 786 HD11 LEU 96 HD11 LEU 96 2.582 7.892 -11.450 787 HD12 LEU 96 HD12 LEU 96 3.049 6.596 -10.348 788 HD13 LEU 96 HD13 LEU 96 2.140 7.983 -9.744 789 HD21 LEU 96 HD21 LEU 96 1.864 4.919 -11.878 790 HD22 LEU 96 HD22 LEU 96 1.479 6.274 -12.939 791 HD23 LEU 96 HD23 LEU 96 0.191 5.234 -12.336 792 H SER 97 H SER 97 -1.900 5.890 -7.672 793 HA SER 97 HA SER 97 -1.014 3.919 -5.905 794 HB2 SER 97 HB2 SER 97 -2.834 4.823 -4.373 795 HB3 SER 97 HB3 SER 97 -1.642 5.985 -4.948 796 HG SER 97 HG SER 97 -3.106 6.891 -6.230 797 H LYS 98 H LYS 98 -4.192 4.250 -7.525 798 HA LYS 98 HA LYS 98 -5.260 1.952 -6.290 799 HB2 LYS 98 HB2 LYS 98 -7.045 2.081 -7.979 800 HB3 LYS 98 HB3 LYS 98 -6.744 3.624 -7.196 801 HG2 LYS 98 HG2 LYS 98 -5.581 4.433 -9.093 802 HG3 LYS 98 HG3 LYS 98 -5.637 2.846 -9.866 803 HD2 LYS 98 HD2 LYS 98 -8.076 2.982 -9.980 804 HD3 LYS 98 HD3 LYS 98 -8.034 4.554 -9.179 805 HE2 LYS 98 HE2 LYS 98 -6.856 5.522 -11.042 806 HE3 LYS 98 HE3 LYS 98 -6.713 3.949 -11.826 807 HZ1 LYS 98 HZ1 LYS 98 -9.118 3.895 -12.038 808 HZ2 LYS 98 HZ2 LYS 98 -8.486 5.268 -12.789 809 HZ3 LYS 98 HZ3 LYS 98 -9.243 5.403 -11.284 810 H ILE 99 H ILE 99 -3.331 2.418 -9.188 811 HA ILE 99 HA ILE 99 -3.719 -0.162 -10.266 812 HB ILE 99 HB ILE 99 -1.347 1.706 -10.486 813 HG12 ILE 99 HG12 ILE 99 -3.530 0.983 -12.456 814 HG13 ILE 99 HG13 ILE 99 -3.465 2.470 -11.517 815 HG21 ILE 99 HG21 ILE 99 -0.522 0.289 -12.293 816 HG22 ILE 99 HG22 ILE 99 -1.859 -0.834 -12.039 817 HG23 ILE 99 HG23 ILE 99 -0.632 -0.633 -10.790 818 HD11 ILE 99 HD11 ILE 99 -2.721 2.846 -13.788 819 HD12 ILE 99 HD12 ILE 99 -1.484 1.600 -13.613 820 HD13 ILE 99 HD13 ILE 99 -1.386 3.082 -12.659 821 H LEU 100 H LEU 100 -1.434 1.139 -7.944 822 HA LEU 100 HA LEU 100 0.104 -1.192 -7.559 823 HB2 LEU 100 HB2 LEU 100 -0.448 1.067 -5.635 824 HB3 LEU 100 HB3 LEU 100 0.769 -0.168 -5.396 825 HG LEU 100 HG LEU 100 0.745 1.874 -7.620 826 HD11 LEU 100 HD11 LEU 100 2.694 2.802 -6.479 827 HD12 LEU 100 HD12 LEU 100 2.497 1.623 -5.183 828 HD13 LEU 100 HD13 LEU 100 1.260 2.848 -5.454 829 HD21 LEU 100 HD21 LEU 100 2.764 -0.260 -6.925 830 HD22 LEU 100 HD22 LEU 100 2.999 1.017 -8.118 831 HD23 LEU 100 HD23 LEU 100 1.752 -0.203 -8.369 832 H LEU 101 H LEU 101 -2.755 0.040 -5.877 833 HA LEU 101 HA LEU 101 -3.018 -1.931 -3.927 834 HB2 LEU 101 HB2 LEU 101 -4.915 -0.090 -5.309 835 HB3 LEU 101 HB3 LEU 101 -5.606 -1.415 -4.403 836 HG LEU 101 HG LEU 101 -5.541 0.697 -3.113 837 HD11 LEU 101 HD11 LEU 101 -4.564 -0.225 -1.077 838 HD12 LEU 101 HD12 LEU 101 -3.737 -1.463 -2.021 839 HD13 LEU 101 HD13 LEU 101 -5.499 -1.444 -1.944 840 HD21 LEU 101 HD21 LEU 101 -2.546 0.401 -3.309 841 HD22 LEU 101 HD22 LEU 101 -3.407 1.558 -2.294 842 HD23 LEU 101 HD23 LEU 101 -3.522 1.669 -4.050 843 H LYS 102 H LYS 102 -4.093 -1.926 -7.286 844 HA LYS 102 HA LYS 102 -5.472 -4.400 -7.158 845 HB2 LYS 102 HB2 LYS 102 -4.267 -2.975 -9.524 846 HB3 LYS 102 HB3 LYS 102 -5.307 -4.386 -9.644 847 HG2 LYS 102 HG2 LYS 102 -7.072 -3.046 -8.452 848 HG3 LYS 102 HG3 LYS 102 -6.023 -1.642 -8.653 849 HD2 LYS 102 HD2 LYS 102 -7.131 -3.360 -10.877 850 HD3 LYS 102 HD3 LYS 102 -7.699 -1.753 -10.428 851 HE2 LYS 102 HE2 LYS 102 -5.550 -0.795 -11.027 852 HE3 LYS 102 HE3 LYS 102 -4.912 -2.398 -11.390 853 HZ1 LYS 102 HZ1 LYS 102 -6.582 -2.591 -13.143 854 HZ2 LYS 102 HZ2 LYS 102 -5.545 -1.288 -13.403 855 HZ3 LYS 102 HZ3 LYS 102 -7.108 -1.015 -12.824 856 H ASP 103 H ASP 103 -2.052 -3.590 -7.820 857 HA ASP 103 HA ASP 103 -1.414 -6.203 -8.765 858 HB2 ASP 103 HB2 ASP 103 -0.082 -3.938 -9.016 859 HB3 ASP 103 HB3 ASP 103 0.626 -4.423 -7.480 860 H LEU 104 H LEU 104 -1.428 -4.626 -5.561 861 HA LEU 104 HA LEU 104 -0.125 -6.715 -4.193 862 HB2 LEU 104 HB2 LEU 104 -1.922 -4.456 -3.420 863 HB3 LEU 104 HB3 LEU 104 -1.673 -5.742 -2.260 864 HG LEU 104 HG LEU 104 0.763 -5.302 -2.312 865 HD11 LEU 104 HD11 LEU 104 1.614 -3.276 -3.363 866 HD12 LEU 104 HD12 LEU 104 0.027 -2.973 -4.070 867 HD13 LEU 104 HD13 LEU 104 0.952 -4.393 -4.556 868 HD21 LEU 104 HD21 LEU 104 -0.630 -4.249 -0.618 869 HD22 LEU 104 HD22 LEU 104 -0.936 -2.888 -1.698 870 HD23 LEU 104 HD23 LEU 104 0.695 -3.185 -1.094 871 H LYS 105 H LYS 105 -3.522 -6.030 -4.894 872 HA LYS 105 HA LYS 105 -4.618 -8.256 -3.601 873 HB2 LYS 105 HB2 LYS 105 -5.653 -6.627 -5.916 874 HB3 LYS 105 HB3 LYS 105 -6.598 -7.873 -5.109 875 HG2 LYS 105 HG2 LYS 105 -5.498 -5.367 -3.846 876 HG3 LYS 105 HG3 LYS 105 -7.190 -5.698 -4.239 877 HD2 LYS 105 HD2 LYS 105 -7.235 -7.526 -2.654 878 HD3 LYS 105 HD3 LYS 105 -5.520 -7.330 -2.328 879 HE2 LYS 105 HE2 LYS 105 -5.956 -5.097 -1.423 880 HE3 LYS 105 HE3 LYS 105 -7.683 -5.337 -1.706 881 HZ1 LYS 105 HZ1 LYS 105 -7.748 -7.075 -0.140 882 HZ2 LYS 105 HZ2 LYS 105 -6.864 -5.848 0.613 883 HZ3 LYS 105 HZ3 LYS 105 -6.065 -7.188 -0.053 884 H GLU 106 H GLU 106 -3.160 -7.940 -6.727 885 HA GLU 106 HA GLU 106 -4.008 -10.421 -7.809 886 HB2 GLU 106 HB2 GLU 106 -3.055 -8.564 -9.147 887 HB3 GLU 106 HB3 GLU 106 -1.512 -8.787 -8.342 888 HG2 GLU 106 HG2 GLU 106 -1.429 -9.765 -10.521 889 HG3 GLU 106 HG3 GLU 106 -1.372 -11.045 -9.313 890 H THR 107 H THR 107 -1.281 -9.341 -5.921 891 HA THR 107 HA THR 107 0.189 -11.739 -5.898 892 HB THR 107 HB THR 107 0.225 -9.555 -3.802 893 HG1 THR 107 HG1 THR 107 0.657 -8.538 -5.727 894 HG21 THR 107 HG21 THR 107 2.342 -11.535 -4.683 895 HG22 THR 107 HG22 THR 107 1.439 -11.608 -3.171 896 HG23 THR 107 HG23 THR 107 2.551 -10.273 -3.469 897 H GLU 108 H GLU 108 -1.925 -10.352 -3.277 898 HA GLU 108 HA GLU 108 -1.792 -12.563 -1.616 899 HB2 GLU 108 HB2 GLU 108 -3.886 -11.806 -0.566 900 HB3 GLU 108 HB3 GLU 108 -2.772 -10.479 -0.834 901 HG2 GLU 108 HG2 GLU 108 -4.050 -9.671 -2.641 902 HG3 GLU 108 HG3 GLU 108 -5.063 -11.111 -2.664 903 H GLN 109 H GLN 109 -3.928 -12.047 -4.378 904 HA GLN 109 HA GLN 109 -5.599 -14.246 -4.077 905 HB2 GLN 109 HB2 GLN 109 -5.950 -12.546 -5.794 906 HB3 GLN 109 HB3 GLN 109 -4.488 -13.058 -6.625 907 HG2 GLN 109 HG2 GLN 109 -5.542 -15.289 -6.958 908 HG3 GLN 109 HG3 GLN 109 -7.031 -14.628 -6.288 909 HE21 GLN 109 HE21 GLN 109 -8.155 -13.080 -7.455 910 HE22 GLN 109 HE22 GLN 109 -7.895 -12.831 -9.146 911 H LYS 110 H LYS 110 -2.464 -14.030 -5.720 912 HA LYS 110 HA LYS 110 -2.423 -16.702 -6.586 913 HB2 LYS 110 HB2 LYS 110 -0.350 -14.573 -6.361 914 HB3 LYS 110 HB3 LYS 110 0.113 -16.219 -6.791 915 HG2 LYS 110 HG2 LYS 110 -1.220 -16.190 -8.734 916 HG3 LYS 110 HG3 LYS 110 -2.040 -14.711 -8.236 917 HD2 LYS 110 HD2 LYS 110 -0.104 -13.410 -8.628 918 HD3 LYS 110 HD3 LYS 110 0.909 -14.845 -8.798 919 HE2 LYS 110 HE2 LYS 110 0.231 -13.672 -10.946 920 HE3 LYS 110 HE3 LYS 110 -0.046 -15.409 -10.870 921 HZ1 LYS 110 HZ1 LYS 110 -2.367 -14.982 -10.356 922 HZ2 LYS 110 HZ2 LYS 110 -1.946 -14.240 -11.808 923 HZ3 LYS 110 HZ3 LYS 110 -2.119 -13.310 -10.411 924 H VAL 111 H VAL 111 -1.094 -15.243 -3.662 925 HA VAL 111 HA VAL 111 0.257 -17.600 -2.851 926 HB VAL 111 HB VAL 111 0.421 -16.612 -0.620 927 HG11 VAL 111 HG11 VAL 111 0.905 -14.657 -2.845 928 HG12 VAL 111 HG12 VAL 111 2.031 -15.868 -2.218 929 HG13 VAL 111 HG13 VAL 111 1.551 -14.500 -1.217 930 HG21 VAL 111 HG21 VAL 111 -0.547 -14.404 -0.142 931 HG22 VAL 111 HG22 VAL 111 -1.771 -15.652 -0.385 932 HG23 VAL 111 HG23 VAL 111 -1.430 -14.491 -1.667 933 H LYS 112 H LYS 112 -2.990 -16.360 -2.348 934 HA LYS 112 HA LYS 112 -3.883 -18.460 -0.662 935 HB2 LYS 112 HB2 LYS 112 -5.396 -16.572 -2.473 936 HB3 LYS 112 HB3 LYS 112 -6.155 -17.665 -1.324 937 HG2 LYS 112 HG2 LYS 112 -5.275 -16.506 0.522 938 HG3 LYS 112 HG3 LYS 112 -4.134 -15.618 -0.486 939 HD2 LYS 112 HD2 LYS 112 -6.003 -14.192 0.192 940 HD3 LYS 112 HD3 LYS 112 -5.988 -14.432 -1.555 941 HE2 LYS 112 HE2 LYS 112 -8.242 -14.604 -0.728 942 HE3 LYS 112 HE3 LYS 112 -7.698 -16.175 -1.303 943 HZ1 LYS 112 HZ1 LYS 112 -8.867 -16.353 0.810 944 HZ2 LYS 112 HZ2 LYS 112 -7.751 -15.314 1.535 945 HZ3 LYS 112 HZ3 LYS 112 -7.255 -16.822 0.977 946 H ASP 113 H ASP 113 -3.269 -18.247 -4.028 947 HA ASP 113 HA ASP 113 -5.019 -20.379 -4.804 948 HB2 ASP 113 HB2 ASP 113 -2.764 -18.983 -6.207 949 HB3 ASP 113 HB3 ASP 113 -3.514 -20.419 -6.890 950 H ILE 114 H ILE 114 -1.743 -20.144 -3.560 951 HA ILE 114 HA ILE 114 -1.096 -22.844 -4.254 952 HB ILE 114 HB ILE 114 0.243 -20.656 -2.699 953 HG12 ILE 114 HG12 ILE 114 2.186 -21.319 -4.072 954 HG13 ILE 114 HG13 ILE 114 1.240 -22.628 -4.762 955 HG21 ILE 114 HG21 ILE 114 0.411 -22.455 -1.110 956 HG22 ILE 114 HG22 ILE 114 1.983 -22.205 -1.872 957 HG23 ILE 114 HG23 ILE 114 0.967 -23.561 -2.363 958 HD11 ILE 114 HD11 ILE 114 -0.287 -21.001 -5.737 959 HD12 ILE 114 HD12 ILE 114 1.377 -20.762 -6.273 960 HD13 ILE 114 HD13 ILE 114 0.680 -19.692 -5.054 961 H GLN 115 H GLN 115 -2.146 -24.443 -3.357 962 HA GLN 115 HA GLN 115 -3.435 -24.328 -0.826 963 HB2 GLN 115 HB2 GLN 115 -3.609 -26.824 -1.068 964 HB3 GLN 115 HB3 GLN 115 -4.276 -25.907 -2.413 965 HG2 GLN 115 HG2 GLN 115 -2.401 -26.387 -3.775 966 HG3 GLN 115 HG3 GLN 115 -1.516 -27.070 -2.410 967 HE21 GLN 115 HE21 GLN 115 -4.148 -27.560 -4.657 968 HE22 GLN 115 HE22 GLN 115 -4.286 -29.266 -4.404 969 H THR 116 H THR 116 -2.614 -24.600 1.125 970 HA THR 116 HA THR 116 0.112 -25.663 1.319 971 HB THR 116 HB THR 116 0.327 -24.237 3.366 972 HG1 THR 116 HG1 THR 116 -1.610 -22.481 2.580 973 HG21 THR 116 HG21 THR 116 1.292 -23.557 1.233 974 HG22 THR 116 HG22 THR 116 0.664 -22.147 2.090 975 HG23 THR 116 HG23 THR 116 -0.247 -22.851 0.750 976 H GLN 117 H GLN 117 0.553 -26.248 3.698 977 HA GLN 117 HA GLN 117 0.362 -27.850 5.277 978 HB2 GLN 117 HB2 GLN 117 -1.220 -26.041 6.049 979 HB3 GLN 117 HB3 GLN 117 -2.528 -27.015 5.396 980 HG2 GLN 117 HG2 GLN 117 -2.322 -27.350 7.764 981 HG3 GLN 117 HG3 GLN 117 -1.918 -28.826 6.882 982 HE21 GLN 117 HE21 GLN 117 0.141 -29.615 6.953 983 HE22 GLN 117 HE22 GLN 117 1.348 -29.018 8.032 Start of MODEL 11 1 H GLN 1 H1 GLN 1 19.986 25.499 9.194 2 HA GLN 1 HA GLN 1 18.878 26.082 7.134 3 HB2 GLN 1 HB2 GLN 1 19.197 23.131 6.540 4 HB3 GLN 1 HB3 GLN 1 18.195 24.239 5.620 5 HG2 GLN 1 HG2 GLN 1 21.184 24.371 5.908 6 HG3 GLN 1 HG3 GLN 1 20.293 23.814 4.494 7 HE21 GLN 1 HE21 GLN 1 19.195 25.322 3.225 8 HE22 GLN 1 HE22 GLN 1 19.555 27.012 3.309 9 H GLU 2 H GLU 2 18.671 23.450 9.395 10 HA GLU 2 HA GLU 2 15.925 22.927 9.258 11 HB2 GLU 2 HB2 GLU 2 17.837 22.653 11.582 12 HB3 GLU 2 HB3 GLU 2 16.221 21.977 11.536 13 HG2 GLU 2 HG2 GLU 2 17.846 20.258 11.075 14 HG3 GLU 2 HG3 GLU 2 16.878 20.562 9.636 15 H HIS 3 H HIS 3 14.191 23.753 10.314 16 HA HIS 3 HA HIS 3 14.627 26.256 11.778 17 HB2 HIS 3 HB2 HIS 3 12.213 25.250 10.263 18 HB3 HIS 3 HB3 HIS 3 12.197 26.694 11.271 19 HD1 HIS 3 HD1 HIS 3 12.220 26.017 7.911 20 HD2 HIS 3 HD2 HIS 3 14.758 28.287 10.288 21 HE1 HIS 3 HE1 HIS 3 13.344 27.621 6.353 22 HE2 HIS 3 HE2 HIS 3 14.665 29.143 7.854 23 H LYS 4 H LYS 4 14.755 25.821 13.850 24 HA LYS 4 HA LYS 4 13.501 23.570 15.073 25 HB2 LYS 4 HB2 LYS 4 14.822 25.947 16.396 26 HB3 LYS 4 HB3 LYS 4 14.414 24.430 17.171 27 HG2 LYS 4 HG2 LYS 4 16.749 24.401 16.796 28 HG3 LYS 4 HG3 LYS 4 16.048 23.320 15.597 29 HD2 LYS 4 HD2 LYS 4 16.317 24.933 13.864 30 HD3 LYS 4 HD3 LYS 4 16.712 26.203 15.024 31 HE2 LYS 4 HE2 LYS 4 18.368 23.731 14.577 32 HE3 LYS 4 HE3 LYS 4 18.670 25.278 13.794 33 HZ1 LYS 4 HZ1 LYS 4 20.051 24.987 15.749 34 HZ2 LYS 4 HZ2 LYS 4 18.686 24.792 16.722 35 HZ3 LYS 4 HZ3 LYS 4 18.980 26.276 15.966 36 HA PRO 5 HA PRO 5 9.738 25.602 16.279 37 HB2 PRO 5 HB2 PRO 5 8.915 23.869 18.179 38 HB3 PRO 5 HB3 PRO 5 8.868 23.458 16.460 39 HG2 PRO 5 HG2 PRO 5 10.887 22.693 18.535 40 HG3 PRO 5 HG3 PRO 5 10.170 21.698 17.254 41 HD2 PRO 5 HD2 PRO 5 12.644 22.836 17.085 42 HD3 PRO 5 HD3 PRO 5 11.631 22.484 15.671 43 H LYS 6 H LYS 6 11.000 27.438 17.202 44 HA LYS 6 HA LYS 6 11.588 27.164 20.049 45 HB2 LYS 6 HB2 LYS 6 13.307 27.983 18.322 46 HB3 LYS 6 HB3 LYS 6 12.355 29.451 18.236 47 HG2 LYS 6 HG2 LYS 6 14.284 29.704 19.696 48 HG3 LYS 6 HG3 LYS 6 12.776 29.890 20.582 49 HD2 LYS 6 HD2 LYS 6 14.317 28.563 21.893 50 HD3 LYS 6 HD3 LYS 6 12.994 27.535 21.357 51 HE2 LYS 6 HE2 LYS 6 15.077 26.348 21.099 52 HE3 LYS 6 HE3 LYS 6 14.434 26.724 19.505 53 HZ1 LYS 6 HZ1 LYS 6 16.808 27.144 19.632 54 HZ2 LYS 6 HZ2 LYS 6 16.583 28.231 20.902 55 HZ3 LYS 6 HZ3 LYS 6 15.978 28.587 19.364 56 H LYS 7 H LYS 7 11.148 29.269 21.319 57 HA LYS 7 HA LYS 7 8.355 29.832 20.996 58 HB2 LYS 7 HB2 LYS 7 8.424 30.933 23.147 59 HB3 LYS 7 HB3 LYS 7 9.335 29.441 23.263 60 HG2 LYS 7 HG2 LYS 7 10.567 32.184 22.944 61 HG3 LYS 7 HG3 LYS 7 10.353 31.356 24.487 62 HD2 LYS 7 HD2 LYS 7 11.822 29.546 23.680 63 HD3 LYS 7 HD3 LYS 7 12.016 30.414 22.160 64 HE2 LYS 7 HE2 LYS 7 13.935 30.846 23.538 65 HE3 LYS 7 HE3 LYS 7 12.979 32.317 23.406 66 HZ1 LYS 7 HZ1 LYS 7 12.076 31.917 25.584 67 HZ2 LYS 7 HZ2 LYS 7 13.762 31.890 25.667 68 HZ3 LYS 7 HZ3 LYS 7 12.895 30.442 25.703 69 H ASP 8 H ASP 8 8.405 30.936 18.968 70 HA ASP 8 HA ASP 8 8.419 33.739 19.323 71 HB2 ASP 8 HB2 ASP 8 10.156 34.386 17.733 72 HB3 ASP 8 HB3 ASP 8 10.833 33.465 19.070 73 H ASP 9 H ASP 9 8.223 34.840 17.154 74 HA ASP 9 HA ASP 9 5.772 33.934 16.048 75 HB2 ASP 9 HB2 ASP 9 5.729 35.919 14.740 76 HB3 ASP 9 HB3 ASP 9 6.427 36.326 16.302 77 H PHE 10 H PHE 10 8.937 33.066 15.093 78 HA PHE 10 HA PHE 10 8.348 32.852 12.290 79 HB2 PHE 10 HB2 PHE 10 10.674 33.122 13.172 80 HB3 PHE 10 HB3 PHE 10 10.576 31.489 13.818 81 HD1 PHE 10 HD1 PHE 10 10.635 33.494 10.732 82 HD2 PHE 10 HD2 PHE 10 10.875 29.596 12.417 83 HE1 PHE 10 HE1 PHE 10 11.401 32.611 8.569 84 HE2 PHE 10 HE2 PHE 10 11.641 28.706 10.258 85 HZ PHE 10 HZ PHE 10 11.904 30.213 8.330 86 H ARG 11 H ARG 11 7.804 31.024 11.097 87 HA ARG 11 HA ARG 11 7.334 28.513 12.421 88 HB2 ARG 11 HB2 ARG 11 5.297 30.138 12.797 89 HB3 ARG 11 HB3 ARG 11 4.945 29.791 11.112 90 HG2 ARG 11 HG2 ARG 11 3.627 28.310 12.403 91 HG3 ARG 11 HG3 ARG 11 4.944 27.345 11.730 92 HD2 ARG 11 HD2 ARG 11 6.162 27.526 13.844 93 HD3 ARG 11 HD3 ARG 11 4.861 28.510 14.507 94 HE ARG 11 HE ARG 11 4.077 25.887 13.563 95 HH11 ARG 11 HH11 ARG 11 5.070 27.851 16.311 96 HH12 ARG 11 HH12 ARG 11 4.462 26.742 17.490 97 HH21 ARG 11 HH21 ARG 11 3.250 24.416 15.139 98 HH22 ARG 11 HH22 ARG 11 3.427 24.786 16.822 99 H ASN 12 H ASN 12 6.590 26.897 10.813 100 HA ASN 12 HA ASN 12 7.906 27.351 8.279 101 HB2 ASN 12 HB2 ASN 12 6.657 24.909 9.537 102 HB3 ASN 12 HB3 ASN 12 7.347 24.910 7.919 103 HD21 ASN 12 HD21 ASN 12 8.127 23.422 10.290 104 HD22 ASN 12 HD22 ASN 12 9.791 23.808 10.570 105 H GLU 13 H GLU 13 6.899 26.836 6.224 106 HA GLU 13 HA GLU 13 3.983 27.119 6.280 107 HB2 GLU 13 HB2 GLU 13 4.950 29.335 5.875 108 HB3 GLU 13 HB3 GLU 13 5.812 28.706 4.478 109 HG2 GLU 13 HG2 GLU 13 3.799 28.356 3.284 110 HG3 GLU 13 HG3 GLU 13 2.820 28.647 4.719 111 H PHE 14 H PHE 14 6.261 27.027 3.492 112 HA PHE 14 HA PHE 14 4.587 24.982 2.318 113 HB2 PHE 14 HB2 PHE 14 6.881 26.641 1.288 114 HB3 PHE 14 HB3 PHE 14 6.204 25.308 0.358 115 HD1 PHE 14 HD2 PHE 14 3.910 25.434 -0.493 116 HD2 PHE 14 HD1 PHE 14 5.710 28.713 1.531 117 HE1 PHE 14 HE2 PHE 14 2.167 26.932 -1.377 118 HE2 PHE 14 HE1 PHE 14 3.971 30.213 0.651 119 HZ PHE 14 HZ PHE 14 2.197 29.325 -0.804 120 H ASP 15 H ASP 15 6.400 24.449 4.620 121 HA ASP 15 HA ASP 15 8.480 22.744 3.687 122 HB2 ASP 15 HB2 ASP 15 7.162 23.030 6.381 123 HB3 ASP 15 HB3 ASP 15 8.515 21.943 6.071 124 H HIS 16 H HIS 16 5.135 22.387 4.108 125 HA HIS 16 HA HIS 16 5.288 19.470 4.095 126 HB2 HIS 16 HB2 HIS 16 2.880 21.316 4.205 127 HB3 HIS 16 HB3 HIS 16 2.815 19.562 4.302 128 HD1 HIS 16 HD1 HIS 16 2.950 18.581 6.613 129 HD2 HIS 16 HD2 HIS 16 4.277 22.522 6.496 130 HE1 HIS 16 HE1 HIS 16 3.335 19.236 8.996 131 HE2 HIS 16 HE2 HIS 16 4.167 21.607 8.913 132 H LEU 17 H LEU 17 3.387 18.593 2.527 133 HA LEU 17 HA LEU 17 2.744 19.823 0.172 134 HB2 LEU 17 HB2 LEU 17 5.209 19.877 -0.229 135 HB3 LEU 17 HB3 LEU 17 5.219 18.129 -0.206 136 HG LEU 17 HG LEU 17 3.924 18.022 -2.240 137 HD11 LEU 17 HD11 LEU 17 3.213 20.058 -3.419 138 HD12 LEU 17 HD12 LEU 17 3.747 21.028 -2.044 139 HD13 LEU 17 HD13 LEU 17 2.417 19.887 -1.856 140 HD21 LEU 17 HD21 LEU 17 6.362 18.401 -2.456 141 HD22 LEU 17 HD22 LEU 17 6.060 20.134 -2.533 142 HD23 LEU 17 HD23 LEU 17 5.446 19.077 -3.801 143 H LEU 18 H LEU 18 0.962 18.771 -0.101 144 HA LEU 18 HA LEU 18 0.320 16.252 0.867 145 HB2 LEU 18 HB2 LEU 18 -0.943 17.716 -1.442 146 HB3 LEU 18 HB3 LEU 18 -1.672 16.413 -0.531 147 HG LEU 18 HG LEU 18 -0.830 18.938 0.843 148 HD11 LEU 18 HD11 LEU 18 -2.210 19.803 -0.844 149 HD12 LEU 18 HD12 LEU 18 -3.253 19.638 0.570 150 HD13 LEU 18 HD13 LEU 18 -3.333 18.457 -0.736 151 HD21 LEU 18 HD21 LEU 18 -2.599 18.286 2.406 152 HD22 LEU 18 HD22 LEU 18 -1.384 17.020 2.234 153 HD23 LEU 18 HD23 LEU 18 -2.942 16.863 1.424 154 H ILE 19 H ILE 19 0.938 17.124 -2.550 155 HA ILE 19 HA ILE 19 0.846 14.533 -3.572 156 HB ILE 19 HB ILE 19 2.206 17.035 -4.549 157 HG12 ILE 19 HG12 ILE 19 -0.233 16.865 -4.689 158 HG13 ILE 19 HG13 ILE 19 0.501 16.910 -6.289 159 HG21 ILE 19 HG21 ILE 19 2.705 15.903 -6.674 160 HG22 ILE 19 HG22 ILE 19 2.240 14.363 -5.951 161 HG23 ILE 19 HG23 ILE 19 3.643 15.241 -5.333 162 HD11 ILE 19 HD11 ILE 19 -0.587 14.483 -4.869 163 HD12 ILE 19 HD12 ILE 19 0.273 14.446 -6.406 164 HD13 ILE 19 HD13 ILE 19 -1.268 15.292 -6.279 165 H GLU 20 H GLU 20 3.480 16.247 -2.038 166 HA GLU 20 HA GLU 20 5.628 14.599 -2.748 167 HB2 GLU 20 HB2 GLU 20 5.807 16.798 -1.632 168 HB3 GLU 20 HB3 GLU 20 5.206 16.075 -0.151 169 HG2 GLU 20 HG2 GLU 20 7.587 16.341 -0.058 170 HG3 GLU 20 HG3 GLU 20 7.168 14.627 -0.071 171 H GLN 21 H GLN 21 3.432 14.436 0.038 172 HA GLN 21 HA GLN 21 4.710 12.121 1.092 173 HB2 GLN 21 HB2 GLN 21 3.381 13.838 2.409 174 HB3 GLN 21 HB3 GLN 21 1.935 13.044 1.795 175 HG2 GLN 21 HG2 GLN 21 2.585 12.300 4.058 176 HG3 GLN 21 HG3 GLN 21 2.529 10.990 2.881 177 HE21 GLN 21 HE21 GLN 21 4.614 13.040 4.778 178 HE22 GLN 21 HE22 GLN 21 6.037 12.069 4.641 179 H ALA 22 H ALA 22 2.239 12.647 -1.261 180 HA ALA 22 HA ALA 22 1.060 10.025 -1.076 181 HB1 ALA 22 HB1 ALA 22 -0.231 11.931 -1.936 182 HB2 ALA 22 HB2 ALA 22 -0.104 10.651 -3.144 183 HB3 ALA 22 HB3 ALA 22 0.904 12.094 -3.278 184 H ASN 23 H ASN 23 3.269 11.705 -3.113 185 HA ASN 23 HA ASN 23 3.925 9.572 -4.893 186 HB2 ASN 23 HB2 ASN 23 5.390 12.109 -4.177 187 HB3 ASN 23 HB3 ASN 23 6.091 10.921 -5.269 188 HD21 ASN 23 HD21 ASN 23 6.078 12.357 -6.985 189 HD22 ASN 23 HD22 ASN 23 4.624 12.815 -7.800 190 H HIS 24 H HIS 24 5.037 10.535 -1.767 191 HA HIS 24 HA HIS 24 7.272 8.769 -1.689 192 HB2 HIS 24 HB2 HIS 24 7.127 10.783 -0.262 193 HB3 HIS 24 HB3 HIS 24 5.770 10.067 0.593 194 HD1 HIS 24 HD1 HIS 24 6.535 9.381 2.811 195 HD2 HIS 24 HD2 HIS 24 9.402 8.622 -0.099 196 HE1 HIS 24 HE1 HIS 24 8.453 8.282 4.016 197 HE2 HIS 24 HE2 HIS 24 10.205 7.908 2.247 198 H ALA 25 H ALA 25 3.891 8.592 -0.382 199 HA ALA 25 HA ALA 25 4.169 6.117 0.835 200 HB1 ALA 25 HB1 ALA 25 2.311 7.675 1.220 201 HB2 ALA 25 HB2 ALA 25 1.747 6.056 0.809 202 HB3 ALA 25 HB3 ALA 25 1.706 7.338 -0.403 203 H ILE 26 H ILE 26 3.112 6.937 -2.480 204 HA ILE 26 HA ILE 26 2.605 4.242 -3.191 205 HB ILE 26 HB ILE 26 2.642 4.987 -5.546 206 HG12 ILE 26 HG12 ILE 26 3.412 7.678 -4.400 207 HG13 ILE 26 HG13 ILE 26 4.460 6.644 -5.364 208 HG21 ILE 26 HG21 ILE 26 0.756 6.555 -5.393 209 HG22 ILE 26 HG22 ILE 26 1.113 6.795 -3.681 210 HG23 ILE 26 HG23 ILE 26 0.603 5.209 -4.262 211 HD11 ILE 26 HD11 ILE 26 3.553 8.441 -6.708 212 HD12 ILE 26 HD12 ILE 26 1.911 7.953 -6.289 213 HD13 ILE 26 HD13 ILE 26 2.928 6.888 -7.260 214 H GLU 27 H GLU 27 5.491 6.234 -3.261 215 HA GLU 27 HA GLU 27 7.165 4.535 -4.749 216 HB2 GLU 27 HB2 GLU 27 7.810 6.815 -4.099 217 HB3 GLU 27 HB3 GLU 27 7.832 6.337 -2.410 218 HG2 GLU 27 HG2 GLU 27 9.643 4.725 -2.972 219 HG3 GLU 27 HG3 GLU 27 9.684 5.425 -4.590 220 H LYS 28 H LYS 28 6.463 4.715 -1.275 221 HA LYS 28 HA LYS 28 8.097 2.569 -0.480 222 HB2 LYS 28 HB2 LYS 28 7.264 4.164 1.143 223 HB3 LYS 28 HB3 LYS 28 5.603 3.746 0.758 224 HG2 LYS 28 HG2 LYS 28 5.907 1.534 1.698 225 HG3 LYS 28 HG3 LYS 28 7.610 1.882 2.011 226 HD2 LYS 28 HD2 LYS 28 6.299 2.118 4.045 227 HD3 LYS 28 HD3 LYS 28 6.945 3.683 3.550 228 HE2 LYS 28 HE2 LYS 28 4.759 4.240 2.568 229 HE3 LYS 28 HE3 LYS 28 4.136 2.674 3.087 230 HZ1 LYS 28 HZ1 LYS 28 5.086 4.877 4.830 231 HZ2 LYS 28 HZ2 LYS 28 4.665 3.345 5.392 232 HZ3 LYS 28 HZ3 LYS 28 3.496 4.330 4.677 233 H GLY 29 H GLY 29 4.676 2.776 -1.370 234 HA2 GLY 29 HA2 GLY 29 3.952 0.118 -0.901 235 HA3 GLY 29 HA3 GLY 29 3.172 1.198 -2.045 236 H GLU 30 H GLU 30 5.222 1.651 -3.774 237 HA GLU 30 HA GLU 30 5.010 -0.544 -5.520 238 HB2 GLU 30 HB2 GLU 30 5.471 1.788 -6.242 239 HB3 GLU 30 HB3 GLU 30 7.100 1.639 -5.599 240 HG2 GLU 30 HG2 GLU 30 7.508 -0.222 -7.171 241 HG3 GLU 30 HG3 GLU 30 5.907 0.050 -7.856 242 H HIS 31 H HIS 31 7.630 0.499 -3.405 243 HA HIS 31 HA HIS 31 9.509 -1.452 -4.211 244 HB2 HIS 31 HB2 HIS 31 10.055 0.681 -3.023 245 HB3 HIS 31 HB3 HIS 31 9.364 0.003 -1.558 246 HD1 HIS 31 HD1 HIS 31 11.963 0.633 -0.811 247 HD2 HIS 31 HD2 HIS 31 11.411 -2.705 -3.231 248 HE1 HIS 31 HE1 HIS 31 14.044 -0.742 -0.552 249 HE2 HIS 31 HE2 HIS 31 13.734 -2.700 -2.110 250 H GLN 32 H GLN 32 7.333 -1.304 -1.402 251 HA GLN 32 HA GLN 32 8.121 -3.849 -0.407 252 HB2 GLN 32 HB2 GLN 32 6.220 -3.699 1.137 253 HB3 GLN 32 HB3 GLN 32 7.124 -2.205 1.089 254 HG2 GLN 32 HG2 GLN 32 4.920 -1.497 1.151 255 HG3 GLN 32 HG3 GLN 32 5.337 -1.383 -0.552 256 HE21 GLN 32 HE21 GLN 32 4.642 -4.444 1.026 257 HE22 GLN 32 HE22 GLN 32 3.146 -4.719 0.217 258 H LEU 33 H LEU 33 5.714 -2.872 -2.739 259 HA LEU 33 HA LEU 33 4.341 -5.348 -2.832 260 HB2 LEU 33 HB2 LEU 33 3.372 -3.289 -3.729 261 HB3 LEU 33 HB3 LEU 33 4.647 -3.177 -4.916 262 HG LEU 33 HG LEU 33 2.271 -4.019 -5.611 263 HD11 LEU 33 HD11 LEU 33 3.226 -5.386 -7.388 264 HD12 LEU 33 HD12 LEU 33 4.758 -5.450 -6.515 265 HD13 LEU 33 HD13 LEU 33 4.157 -3.909 -7.128 266 HD21 LEU 33 HD21 LEU 33 3.485 -6.617 -4.640 267 HD22 LEU 33 HD22 LEU 33 1.967 -6.427 -5.516 268 HD23 LEU 33 HD23 LEU 33 2.128 -5.779 -3.884 269 H LEU 34 H LEU 34 7.028 -4.000 -4.755 270 HA LEU 34 HA LEU 34 7.241 -6.231 -6.495 271 HB2 LEU 34 HB2 LEU 34 9.291 -4.152 -5.729 272 HB3 LEU 34 HB3 LEU 34 9.475 -5.299 -7.040 273 HG LEU 34 HG LEU 34 7.372 -3.138 -6.890 274 HD11 LEU 34 HD11 LEU 34 9.593 -2.222 -7.224 275 HD12 LEU 34 HD12 LEU 34 8.638 -2.093 -8.702 276 HD13 LEU 34 HD13 LEU 34 9.873 -3.343 -8.558 277 HD21 LEU 34 HD21 LEU 34 8.052 -5.105 -9.074 278 HD22 LEU 34 HD22 LEU 34 6.937 -3.749 -9.238 279 HD23 LEU 34 HD23 LEU 34 6.566 -5.064 -8.122 280 H TYR 35 H TYR 35 8.635 -5.420 -3.402 281 HA TYR 35 HA TYR 35 10.590 -7.471 -3.353 282 HB2 TYR 35 HB2 TYR 35 10.768 -5.549 -1.859 283 HB3 TYR 35 HB3 TYR 35 9.254 -5.987 -1.076 284 HD1 TYR 35 HD1 TYR 35 12.681 -7.300 -1.738 285 HD2 TYR 35 HD2 TYR 35 9.292 -7.325 0.835 286 HE1 TYR 35 HE1 TYR 35 13.924 -8.673 -0.124 287 HE2 TYR 35 HE2 TYR 35 10.527 -8.700 2.457 288 HH TYR 35 HH TYR 35 12.390 -10.174 2.579 289 H LEU 36 H LEU 36 7.290 -7.233 -1.995 290 HA LEU 36 HA LEU 36 7.260 -9.778 -0.827 291 HB2 LEU 36 HB2 LEU 36 5.710 -7.690 -0.535 292 HB3 LEU 36 HB3 LEU 36 4.794 -8.410 -1.841 293 HG LEU 36 HG LEU 36 5.413 -10.002 0.634 294 HD11 LEU 36 HD11 LEU 36 3.116 -8.086 0.251 295 HD12 LEU 36 HD12 LEU 36 4.429 -7.925 1.418 296 HD13 LEU 36 HD13 LEU 36 3.274 -9.251 1.566 297 HD21 LEU 36 HD21 LEU 36 3.131 -10.058 -1.342 298 HD22 LEU 36 HD22 LEU 36 3.344 -11.150 0.025 299 HD23 LEU 36 HD23 LEU 36 4.494 -11.176 -1.312 300 H GLN 37 H GLN 37 6.599 -8.654 -4.082 301 HA GLN 37 HA GLN 37 5.244 -10.869 -5.094 302 HB2 GLN 37 HB2 GLN 37 7.221 -9.065 -6.505 303 HB3 GLN 37 HB3 GLN 37 6.193 -10.229 -7.322 304 HG2 GLN 37 HG2 GLN 37 5.220 -7.902 -5.682 305 HG3 GLN 37 HG3 GLN 37 5.344 -7.928 -7.436 306 HE21 GLN 37 HE21 GLN 37 3.132 -7.518 -7.612 307 HE22 GLN 37 HE22 GLN 37 1.953 -8.741 -7.310 308 H HIS 38 H HIS 38 8.651 -10.348 -4.447 309 HA HIS 38 HA HIS 38 9.583 -12.676 -5.815 310 HB2 HIS 38 HB2 HIS 38 10.953 -10.606 -5.109 311 HB3 HIS 38 HB3 HIS 38 11.030 -11.364 -3.522 312 HD1 HIS 38 HD1 HIS 38 12.359 -11.625 -6.982 313 HD2 HIS 38 HD2 HIS 38 12.626 -13.712 -3.401 314 HE1 HIS 38 HE1 HIS 38 14.222 -13.256 -7.297 315 HE2 HIS 38 HE2 HIS 38 14.281 -14.604 -5.179 316 H GLN 39 H GLN 39 8.374 -12.010 -2.563 317 HA GLN 39 HA GLN 39 9.198 -14.504 -1.475 318 HB2 GLN 39 HB2 GLN 39 7.235 -12.408 -0.575 319 HB3 GLN 39 HB3 GLN 39 7.452 -13.919 0.299 320 HG2 GLN 39 HG2 GLN 39 9.614 -11.893 -0.244 321 HG3 GLN 39 HG3 GLN 39 8.740 -12.079 1.276 322 HE21 GLN 39 HE21 GLN 39 11.179 -13.399 -0.810 323 HE22 GLN 39 HE22 GLN 39 11.777 -14.582 0.295 324 H LEU 40 H LEU 40 6.165 -13.240 -2.844 325 HA LEU 40 HA LEU 40 4.522 -15.398 -2.651 326 HB2 LEU 40 HB2 LEU 40 4.042 -13.121 -3.605 327 HB3 LEU 40 HB3 LEU 40 4.885 -13.593 -5.059 328 HG LEU 40 HG LEU 40 2.361 -13.609 -5.147 329 HD11 LEU 40 HD11 LEU 40 3.804 -16.159 -5.821 330 HD12 LEU 40 HD12 LEU 40 3.682 -14.722 -6.835 331 HD13 LEU 40 HD13 LEU 40 2.240 -15.664 -6.464 332 HD21 LEU 40 HD21 LEU 40 1.950 -14.584 -2.959 333 HD22 LEU 40 HD22 LEU 40 2.717 -16.090 -3.473 334 HD23 LEU 40 HD23 LEU 40 1.216 -15.559 -4.232 335 H ASP 41 H ASP 41 6.996 -14.754 -5.090 336 HA ASP 41 HA ASP 41 6.675 -17.029 -6.692 337 HB2 ASP 41 HB2 ASP 41 8.026 -15.170 -7.434 338 HB3 ASP 41 HB3 ASP 41 9.117 -15.354 -6.067 339 H GLU 42 H GLU 42 8.559 -16.453 -3.795 340 HA GLU 42 HA GLU 42 9.960 -18.888 -3.673 341 HB2 GLU 42 HB2 GLU 42 10.645 -17.033 -2.302 342 HB3 GLU 42 HB3 GLU 42 9.083 -16.983 -1.502 343 HG2 GLU 42 HG2 GLU 42 10.513 -17.972 0.044 344 HG3 GLU 42 HG3 GLU 42 9.618 -19.316 -0.660 345 H LEU 43 H LEU 43 6.714 -17.954 -2.397 346 HA LEU 43 HA LEU 43 6.319 -20.288 -0.870 347 HB2 LEU 43 HB2 LEU 43 5.123 -18.170 -0.534 348 HB3 LEU 43 HB3 LEU 43 4.351 -18.358 -2.096 349 HG LEU 43 HG LEU 43 3.290 -20.464 -1.229 350 HD11 LEU 43 HD11 LEU 43 4.346 -19.493 1.401 351 HD12 LEU 43 HD12 LEU 43 4.843 -20.955 0.548 352 HD13 LEU 43 HD13 LEU 43 3.196 -20.808 1.163 353 HD21 LEU 43 HD21 LEU 43 2.672 -17.929 0.267 354 HD22 LEU 43 HD22 LEU 43 1.588 -19.303 0.063 355 HD23 LEU 43 HD23 LEU 43 2.078 -18.351 -1.337 356 H ASN 44 H ASN 44 5.849 -19.459 -4.244 357 HA ASN 44 HA ASN 44 4.033 -21.484 -4.954 358 HB2 ASN 44 HB2 ASN 44 6.001 -19.790 -6.420 359 HB3 ASN 44 HB3 ASN 44 5.348 -21.201 -7.243 360 HD21 ASN 44 HD21 ASN 44 4.632 -18.090 -5.885 361 HD22 ASN 44 HD22 ASN 44 3.071 -17.932 -6.612 362 H GLU 45 H GLU 45 7.502 -21.409 -4.675 363 HA GLU 45 HA GLU 45 7.780 -24.119 -5.648 364 HB2 GLU 45 HB2 GLU 45 9.385 -22.196 -6.129 365 HB3 GLU 45 HB3 GLU 45 9.918 -22.343 -4.466 366 HG2 GLU 45 HG2 GLU 45 10.014 -24.665 -6.363 367 HG3 GLU 45 HG3 GLU 45 11.302 -23.468 -6.294 368 H ASN 46 H ASN 46 7.982 -22.359 -2.552 369 HA ASN 46 HA ASN 46 9.048 -24.590 -1.123 370 HB2 ASN 46 HB2 ASN 46 9.247 -22.041 -0.624 371 HB3 ASN 46 HB3 ASN 46 7.699 -22.260 0.183 372 HD21 ASN 46 HD21 ASN 46 11.067 -22.923 0.248 373 HD22 ASN 46 HD22 ASN 46 11.126 -23.592 1.841 374 H LYS 47 H LYS 47 5.701 -23.337 -1.710 375 HA LYS 47 HA LYS 47 3.716 -23.910 -0.981 376 HB2 LYS 47 HB2 LYS 47 4.828 -26.068 -2.131 377 HB3 LYS 47 HB3 LYS 47 4.506 -26.716 -0.530 378 HG2 LYS 47 HG2 LYS 47 2.659 -27.242 -1.971 379 HG3 LYS 47 HG3 LYS 47 2.139 -26.077 -0.755 380 HD2 LYS 47 HD2 LYS 47 1.207 -25.454 -2.909 381 HD3 LYS 47 HD3 LYS 47 2.405 -24.252 -2.455 382 HE2 LYS 47 HE2 LYS 47 2.648 -24.805 -4.786 383 HE3 LYS 47 HE3 LYS 47 4.049 -25.400 -3.900 384 HZ1 LYS 47 HZ1 LYS 47 3.205 -27.001 -5.521 385 HZ2 LYS 47 HZ2 LYS 47 1.722 -27.062 -4.712 386 HZ3 LYS 47 HZ3 LYS 47 3.124 -27.614 -3.952 387 H SER 48 H SER 48 5.883 -23.488 1.282 388 HA SER 48 HA SER 48 5.046 -25.055 3.447 389 HB2 SER 48 HB2 SER 48 7.165 -23.962 3.521 390 HB3 SER 48 HB3 SER 48 6.423 -22.380 3.294 391 HG SER 48 HG SER 48 6.997 -23.522 5.558 392 H LYS 49 H LYS 49 3.259 -24.955 4.698 393 HA LYS 49 HA LYS 49 1.260 -23.066 4.313 394 HB2 LYS 49 HB2 LYS 49 0.274 -24.009 6.419 395 HB3 LYS 49 HB3 LYS 49 0.657 -25.205 5.197 396 HG2 LYS 49 HG2 LYS 49 2.674 -24.661 7.309 397 HG3 LYS 49 HG3 LYS 49 1.231 -25.575 7.747 398 HD2 LYS 49 HD2 LYS 49 1.727 -27.203 5.972 399 HD3 LYS 49 HD3 LYS 49 3.158 -26.284 5.522 400 HE2 LYS 49 HE2 LYS 49 4.126 -26.665 7.718 401 HE3 LYS 49 HE3 LYS 49 2.687 -27.555 8.214 402 HZ1 LYS 49 HZ1 LYS 49 4.584 -28.337 6.064 403 HZ2 LYS 49 HZ2 LYS 49 3.178 -29.184 6.467 404 HZ3 LYS 49 HZ3 LYS 49 4.441 -29.068 7.583 405 H GLU 50 H GLU 50 3.786 -23.296 6.793 406 HA GLU 50 HA GLU 50 3.033 -21.052 8.280 407 HB2 GLU 50 HB2 GLU 50 5.819 -22.123 7.816 408 HB3 GLU 50 HB3 GLU 50 5.352 -21.013 9.098 409 HG2 GLU 50 HG2 GLU 50 3.871 -22.711 10.031 410 HG3 GLU 50 HG3 GLU 50 4.344 -23.825 8.747 411 H LEU 51 H LEU 51 5.214 -21.321 5.517 412 HA LEU 51 HA LEU 51 5.874 -18.593 5.361 413 HB2 LEU 51 HB2 LEU 51 7.000 -20.415 4.081 414 HB3 LEU 51 HB3 LEU 51 5.586 -20.519 3.053 415 HG LEU 51 HG LEU 51 5.991 -18.226 2.259 416 HD11 LEU 51 HD11 LEU 51 7.091 -17.301 4.210 417 HD12 LEU 51 HD12 LEU 51 8.116 -17.119 2.788 418 HD13 LEU 51 HD13 LEU 51 8.466 -18.379 3.972 419 HD21 LEU 51 HD21 LEU 51 6.915 -20.121 1.037 420 HD22 LEU 51 HD22 LEU 51 8.382 -20.051 2.014 421 HD23 LEU 51 HD23 LEU 51 7.979 -18.719 0.931 422 H GLN 52 H GLN 52 3.174 -20.429 3.992 423 HA GLN 52 HA GLN 52 1.848 -18.466 2.554 424 HB2 GLN 52 HB2 GLN 52 0.975 -20.664 2.444 425 HB3 GLN 52 HB3 GLN 52 0.895 -20.811 4.185 426 HG2 GLN 52 HG2 GLN 52 -1.329 -20.639 3.534 427 HG3 GLN 52 HG3 GLN 52 -0.924 -19.024 4.099 428 HE21 GLN 52 HE21 GLN 52 0.043 -20.345 0.995 429 HE22 GLN 52 HE22 GLN 52 -0.948 -19.295 0.042 430 H GLU 53 H GLU 53 1.523 -19.238 6.048 431 HA GLU 53 HA GLU 53 -0.359 -17.314 6.699 432 HB2 GLU 53 HB2 GLU 53 1.809 -18.615 8.344 433 HB3 GLU 53 HB3 GLU 53 0.531 -17.619 9.025 434 HG2 GLU 53 HG2 GLU 53 0.012 -20.090 7.401 435 HG3 GLU 53 HG3 GLU 53 0.178 -20.093 9.156 436 H LYS 54 H LYS 54 3.190 -17.141 6.959 437 HA LYS 54 HA LYS 54 3.275 -14.547 8.058 438 HB2 LYS 54 HB2 LYS 54 5.401 -15.795 6.311 439 HB3 LYS 54 HB3 LYS 54 5.622 -14.532 7.513 440 HG2 LYS 54 HG2 LYS 54 4.873 -17.397 8.041 441 HG3 LYS 54 HG3 LYS 54 6.433 -16.638 8.354 442 HD2 LYS 54 HD2 LYS 54 5.436 -15.189 10.018 443 HD3 LYS 54 HD3 LYS 54 3.830 -15.825 9.646 444 HE2 LYS 54 HE2 LYS 54 4.701 -16.854 11.661 445 HE3 LYS 54 HE3 LYS 54 4.546 -18.046 10.371 446 HZ1 LYS 54 HZ1 LYS 54 6.935 -17.773 9.941 447 HZ2 LYS 54 HZ2 LYS 54 6.628 -18.343 11.496 448 HZ3 LYS 54 HZ3 LYS 54 7.050 -16.725 11.262 449 H ILE 55 H ILE 55 3.431 -15.663 4.761 450 HA ILE 55 HA ILE 55 3.926 -13.148 3.568 451 HB ILE 55 HB ILE 55 2.669 -15.619 2.367 452 HG12 ILE 55 HG12 ILE 55 5.402 -14.349 2.069 453 HG13 ILE 55 HG13 ILE 55 5.036 -15.792 3.006 454 HG21 ILE 55 HG21 ILE 55 1.830 -13.687 1.142 455 HG22 ILE 55 HG22 ILE 55 3.006 -14.567 0.165 456 HG23 ILE 55 HG23 ILE 55 3.471 -13.067 0.966 457 HD11 ILE 55 HD11 ILE 55 4.727 -15.520 0.026 458 HD12 ILE 55 HD12 ILE 55 4.430 -16.972 0.985 459 HD13 ILE 55 HD13 ILE 55 6.062 -16.317 0.860 460 H ILE 56 H ILE 56 0.811 -14.863 4.026 461 HA ILE 56 HA ILE 56 -0.685 -12.719 2.907 462 HB ILE 56 HB ILE 56 -1.583 -15.028 2.981 463 HG12 ILE 56 HG12 ILE 56 -3.305 -13.027 4.465 464 HG13 ILE 56 HG13 ILE 56 -3.105 -13.098 2.719 465 HG21 ILE 56 HG21 ILE 56 -0.802 -15.726 5.164 466 HG22 ILE 56 HG22 ILE 56 -2.554 -15.905 5.064 467 HG23 ILE 56 HG23 ILE 56 -1.855 -14.545 5.944 468 HD11 ILE 56 HD11 ILE 56 -4.337 -15.232 4.448 469 HD12 ILE 56 HD12 ILE 56 -4.131 -15.319 2.698 470 HD13 ILE 56 HD13 ILE 56 -5.202 -14.105 3.402 471 H ARG 57 H ARG 57 0.371 -13.468 6.169 472 HA ARG 57 HA ARG 57 -1.320 -11.619 7.503 473 HB2 ARG 57 HB2 ARG 57 0.719 -13.474 8.225 474 HB3 ARG 57 HB3 ARG 57 1.106 -11.921 8.952 475 HG2 ARG 57 HG2 ARG 57 -0.192 -13.223 10.489 476 HG3 ARG 57 HG3 ARG 57 -1.155 -11.853 9.933 477 HD2 ARG 57 HD2 ARG 57 -2.280 -13.334 8.317 478 HD3 ARG 57 HD3 ARG 57 -1.337 -14.690 8.933 479 HE ARG 57 HE ARG 57 -3.049 -13.175 10.764 480 HH11 ARG 57 HH11 ARG 57 -2.358 -16.183 9.063 481 HH12 ARG 57 HH12 ARG 57 -3.447 -17.107 10.024 482 HH21 ARG 57 HH21 ARG 57 -4.481 -14.415 12.025 483 HH22 ARG 57 HH22 ARG 57 -4.661 -16.106 11.712 484 H GLU 58 H GLU 58 2.079 -11.394 6.426 485 HA GLU 58 HA GLU 58 2.316 -8.696 7.265 486 HB2 GLU 58 HB2 GLU 58 3.966 -10.223 5.245 487 HB3 GLU 58 HB3 GLU 58 4.376 -8.636 5.886 488 HG2 GLU 58 HG2 GLU 58 4.352 -9.677 8.176 489 HG3 GLU 58 HG3 GLU 58 4.230 -11.240 7.373 490 H LEU 59 H LEU 59 1.220 -10.226 4.317 491 HA LEU 59 HA LEU 59 1.202 -7.992 2.625 492 HB2 LEU 59 HB2 LEU 59 0.869 -10.347 1.917 493 HB3 LEU 59 HB3 LEU 59 -0.682 -10.353 2.723 494 HG LEU 59 HG LEU 59 -1.455 -8.587 1.130 495 HD11 LEU 59 HD11 LEU 59 1.159 -9.184 -0.230 496 HD12 LEU 59 HD12 LEU 59 0.700 -7.661 0.532 497 HD13 LEU 59 HD13 LEU 59 -0.160 -8.227 -0.900 498 HD21 LEU 59 HD21 LEU 59 -0.466 -11.162 -0.082 499 HD22 LEU 59 HD22 LEU 59 -1.710 -10.112 -0.762 500 HD23 LEU 59 HD23 LEU 59 -1.992 -10.933 0.771 501 H ASP 60 H ASP 60 -1.225 -9.343 4.816 502 HA ASP 60 HA ASP 60 -3.278 -7.521 4.243 503 HB2 ASP 60 HB2 ASP 60 -3.642 -9.696 5.329 504 HB3 ASP 60 HB3 ASP 60 -2.850 -9.091 6.781 505 H VAL 61 H VAL 61 -0.916 -7.510 6.950 506 HA VAL 61 HA VAL 61 -2.016 -5.238 8.184 507 HB VAL 61 HB VAL 61 0.092 -5.021 9.437 508 HG11 VAL 61 HG11 VAL 61 -0.849 -7.869 9.150 509 HG12 VAL 61 HG12 VAL 61 -1.561 -6.631 10.185 510 HG13 VAL 61 HG13 VAL 61 0.067 -7.220 10.510 511 HG21 VAL 61 HG21 VAL 61 1.704 -5.526 7.704 512 HG22 VAL 61 HG22 VAL 61 1.099 -7.175 7.584 513 HG23 VAL 61 HG23 VAL 61 1.920 -6.644 9.052 514 H VAL 62 H VAL 62 0.473 -5.521 5.703 515 HA VAL 62 HA VAL 62 1.088 -2.730 5.690 516 HB VAL 62 HB VAL 62 1.595 -4.841 3.569 517 HG11 VAL 62 HG11 VAL 62 2.705 -2.044 3.806 518 HG12 VAL 62 HG12 VAL 62 1.565 -2.606 2.585 519 HG13 VAL 62 HG13 VAL 62 3.206 -3.252 2.624 520 HG21 VAL 62 HG21 VAL 62 3.906 -4.780 4.415 521 HG22 VAL 62 HG22 VAL 62 2.764 -5.287 5.658 522 HG23 VAL 62 HG23 VAL 62 3.405 -3.645 5.668 523 H CYS 63 H CYS 63 -1.100 -4.814 3.963 524 HA CYS 63 HA CYS 63 -1.968 -2.935 2.039 525 HB2 CYS 63 HB2 CYS 63 -2.457 -5.346 1.835 526 HB3 CYS 63 HB3 CYS 63 -3.534 -5.239 3.225 527 HG CYS 63 HG CYS 63 -4.547 -2.985 1.133 528 H ALA 64 H ALA 64 -3.138 -3.715 5.312 529 HA ALA 64 HA ALA 64 -5.408 -2.060 5.262 530 HB1 ALA 64 HB1 ALA 64 -5.096 -3.930 6.804 531 HB2 ALA 64 HB2 ALA 64 -5.415 -2.424 7.673 532 HB3 ALA 64 HB3 ALA 64 -3.768 -3.061 7.575 533 H MET 65 H MET 65 -2.138 -1.569 6.639 534 HA MET 65 HA MET 65 -2.661 1.001 7.649 535 HB2 MET 65 HB2 MET 65 -0.309 1.258 7.945 536 HB3 MET 65 HB3 MET 65 -0.669 -0.442 8.211 537 HG2 MET 65 HG2 MET 65 0.130 -0.986 5.997 538 HG3 MET 65 HG3 MET 65 0.425 0.718 5.662 539 HE1 MET 65 HE1 MET 65 1.457 -2.409 7.662 540 HE2 MET 65 HE2 MET 65 1.114 -1.292 8.983 541 HE3 MET 65 HE3 MET 65 2.770 -1.829 8.689 542 H ILE 66 H ILE 66 -1.613 -0.098 4.481 543 HA ILE 66 HA ILE 66 -1.110 2.487 3.440 544 HB ILE 66 HB ILE 66 -1.175 -0.248 2.364 545 HG12 ILE 66 HG12 ILE 66 0.753 0.588 1.068 546 HG13 ILE 66 HG13 ILE 66 0.407 2.222 1.617 547 HG21 ILE 66 HG21 ILE 66 -2.927 0.653 0.936 548 HG22 ILE 66 HG22 ILE 66 -1.450 0.381 0.012 549 HG23 ILE 66 HG23 ILE 66 -1.896 2.017 0.501 550 HD11 ILE 66 HD11 ILE 66 2.267 1.202 2.849 551 HD12 ILE 66 HD12 ILE 66 1.195 -0.087 3.402 552 HD13 ILE 66 HD13 ILE 66 0.910 1.577 3.906 553 H GLU 67 H GLU 67 -3.990 0.417 3.500 554 HA GLU 67 HA GLU 67 -5.589 2.014 1.801 555 HB2 GLU 67 HB2 GLU 67 -6.278 0.034 3.970 556 HB3 GLU 67 HB3 GLU 67 -7.501 0.843 3.007 557 HG2 GLU 67 HG2 GLU 67 -5.306 -0.674 1.669 558 HG3 GLU 67 HG3 GLU 67 -6.688 -1.526 2.351 559 H GLY 68 H GLY 68 -5.013 2.000 5.291 560 HA2 GLY 68 HA2 GLY 68 -7.024 3.868 5.956 561 HA3 GLY 68 HA3 GLY 68 -5.641 3.432 6.947 562 H ALA 69 H ALA 69 -3.542 4.225 5.410 563 HA ALA 69 HA ALA 69 -3.502 7.027 5.906 564 HB1 ALA 69 HB1 ALA 69 -1.246 6.957 4.955 565 HB2 ALA 69 HB2 ALA 69 -1.539 5.319 4.367 566 HB3 ALA 69 HB3 ALA 69 -1.490 5.638 6.101 567 H GLN 70 H GLN 70 -3.853 5.034 3.035 568 HA GLN 70 HA GLN 70 -3.627 7.078 1.078 569 HB2 GLN 70 HB2 GLN 70 -3.706 4.516 0.765 570 HB3 GLN 70 HB3 GLN 70 -5.452 4.722 0.779 571 HG2 GLN 70 HG2 GLN 70 -5.117 6.432 -1.050 572 HG3 GLN 70 HG3 GLN 70 -3.464 5.823 -1.160 573 HE21 GLN 70 HE21 GLN 70 -5.603 5.775 -3.072 574 HE22 GLN 70 HE22 GLN 70 -5.848 4.116 -3.498 575 H GLY 71 H GLY 71 -6.301 5.776 2.900 576 HA2 GLY 71 HA2 GLY 71 -8.371 7.255 1.601 577 HA3 GLY 71 HA3 GLY 71 -8.508 6.470 3.168 578 H ALA 72 H ALA 72 -6.420 7.828 4.442 579 HA ALA 72 HA ALA 72 -7.831 10.125 5.367 580 HB1 ALA 72 HB1 ALA 72 -5.924 10.472 6.839 581 HB2 ALA 72 HB2 ALA 72 -4.981 9.298 5.922 582 HB3 ALA 72 HB3 ALA 72 -6.393 8.772 6.837 583 H LEU 73 H LEU 73 -4.693 9.733 3.767 584 HA LEU 73 HA LEU 73 -4.121 12.404 3.341 585 HB2 LEU 73 HB2 LEU 73 -2.510 10.584 3.085 586 HB3 LEU 73 HB3 LEU 73 -3.359 10.023 1.660 587 HG LEU 73 HG LEU 73 -2.795 12.161 0.538 588 HD11 LEU 73 HD11 LEU 73 -1.114 12.621 2.994 589 HD12 LEU 73 HD12 LEU 73 -2.504 13.577 2.480 590 HD13 LEU 73 HD13 LEU 73 -1.034 13.566 1.507 591 HD21 LEU 73 HD21 LEU 73 -0.425 11.614 0.190 592 HD22 LEU 73 HD22 LEU 73 -1.464 10.191 0.143 593 HD23 LEU 73 HD23 LEU 73 -0.492 10.525 1.577 594 H GLU 74 H GLU 74 -5.880 10.133 1.251 595 HA GLU 74 HA GLU 74 -6.220 11.711 -1.007 596 HB2 GLU 74 HB2 GLU 74 -7.201 9.266 -0.019 597 HB3 GLU 74 HB3 GLU 74 -8.624 10.216 -0.410 598 HG2 GLU 74 HG2 GLU 74 -6.363 9.776 -2.341 599 HG3 GLU 74 HG3 GLU 74 -7.761 8.708 -2.229 600 H ARG 75 H ARG 75 -8.355 11.449 1.823 601 HA ARG 75 HA ARG 75 -10.239 13.360 1.015 602 HB2 ARG 75 HB2 ARG 75 -10.599 11.768 2.866 603 HB3 ARG 75 HB3 ARG 75 -9.414 12.634 3.831 604 HG2 ARG 75 HG2 ARG 75 -10.813 14.602 3.855 605 HG3 ARG 75 HG3 ARG 75 -11.981 13.811 2.796 606 HD2 ARG 75 HD2 ARG 75 -11.218 12.880 5.560 607 HD3 ARG 75 HD3 ARG 75 -12.677 13.783 5.156 608 HE ARG 75 HE ARG 75 -12.438 11.405 3.607 609 HH11 ARG 75 HH11 ARG 75 -13.404 12.608 6.762 610 HH12 ARG 75 HH12 ARG 75 -14.473 11.284 7.083 611 HH21 ARG 75 HH21 ARG 75 -13.870 9.652 4.039 612 HH22 ARG 75 HH22 ARG 75 -14.739 9.609 5.530 613 H GLU 76 H GLU 76 -7.231 13.733 2.864 614 HA GLU 76 HA GLU 76 -7.648 16.481 3.414 615 HB2 GLU 76 HB2 GLU 76 -5.122 14.833 3.463 616 HB3 GLU 76 HB3 GLU 76 -5.253 16.480 4.065 617 HG2 GLU 76 HG2 GLU 76 -7.010 15.682 5.642 618 HG3 GLU 76 HG3 GLU 76 -6.652 14.037 5.115 619 H LEU 77 H LEU 77 -5.376 14.898 1.089 620 HA LEU 77 HA LEU 77 -4.531 17.236 -0.060 621 HB2 LEU 77 HB2 LEU 77 -3.851 15.906 -2.040 622 HB3 LEU 77 HB3 LEU 77 -3.328 15.234 -0.516 623 HG LEU 77 HG LEU 77 -5.274 13.601 -0.714 624 HD11 LEU 77 HD11 LEU 77 -5.283 14.622 -3.550 625 HD12 LEU 77 HD12 LEU 77 -6.602 14.759 -2.386 626 HD13 LEU 77 HD13 LEU 77 -6.111 13.176 -2.977 627 HD21 LEU 77 HD21 LEU 77 -2.903 13.052 -1.160 628 HD22 LEU 77 HD22 LEU 77 -3.160 13.466 -2.855 629 HD23 LEU 77 HD23 LEU 77 -4.030 12.112 -2.135 630 H LYS 78 H LYS 78 -7.621 15.862 -0.369 631 HA LYS 78 HA LYS 78 -8.199 16.805 -2.992 632 HB2 LYS 78 HB2 LYS 78 -9.512 15.251 -1.015 633 HB3 LYS 78 HB3 LYS 78 -10.593 16.557 -1.499 634 HG2 LYS 78 HG2 LYS 78 -10.901 14.526 -2.865 635 HG3 LYS 78 HG3 LYS 78 -10.388 15.921 -3.820 636 HD2 LYS 78 HD2 LYS 78 -8.099 15.089 -3.814 637 HD3 LYS 78 HD3 LYS 78 -8.602 13.704 -2.846 638 HE2 LYS 78 HE2 LYS 78 -9.694 14.359 -5.573 639 HE3 LYS 78 HE3 LYS 78 -8.360 13.243 -5.283 640 HZ1 LYS 78 HZ1 LYS 78 -9.821 11.894 -3.929 641 HZ2 LYS 78 HZ2 LYS 78 -10.448 12.073 -5.491 642 HZ3 LYS 78 HZ3 LYS 78 -11.112 12.954 -4.215 643 H ARG 79 H ARG 79 -7.713 18.415 -0.126 644 HA ARG 79 HA ARG 79 -9.651 20.434 -0.152 645 HB2 ARG 79 HB2 ARG 79 -6.818 20.405 0.865 646 HB3 ARG 79 HB3 ARG 79 -7.882 21.786 1.077 647 HG2 ARG 79 HG2 ARG 79 -8.651 19.041 2.011 648 HG3 ARG 79 HG3 ARG 79 -7.688 20.134 3.005 649 HD2 ARG 79 HD2 ARG 79 -10.402 20.787 1.857 650 HD3 ARG 79 HD3 ARG 79 -10.113 20.234 3.504 651 HE ARG 79 HE ARG 79 -9.059 22.764 2.403 652 HH11 ARG 79 HH11 ARG 79 -10.448 20.915 5.047 653 HH12 ARG 79 HH12 ARG 79 -10.326 22.210 6.184 654 HH21 ARG 79 HH21 ARG 79 -8.886 24.482 3.913 655 HH22 ARG 79 HH22 ARG 79 -9.431 24.249 5.538 656 H THR 80 H THR 80 -6.676 20.110 -2.001 657 HA THR 80 HA THR 80 -7.504 22.434 -3.546 658 HB THR 80 HB THR 80 -5.889 23.445 -2.149 659 HG1 THR 80 HG1 THR 80 -4.407 22.773 -4.505 660 HG21 THR 80 HG21 THR 80 -4.055 21.151 -2.799 661 HG22 THR 80 HG22 THR 80 -4.870 21.432 -1.262 662 HG23 THR 80 HG23 THR 80 -3.629 22.559 -1.820 663 H ASP 81 H ASP 81 -7.949 21.530 -5.502 664 HA ASP 81 HA ASP 81 -5.796 20.016 -6.745 665 HB2 ASP 81 HB2 ASP 81 -7.337 18.379 -7.620 666 HB3 ASP 81 HB3 ASP 81 -7.566 18.445 -5.876 667 H LEU 82 H LEU 82 -7.206 22.824 -6.802 668 HA LEU 82 HA LEU 82 -8.170 22.826 -9.545 669 HB2 LEU 82 HB2 LEU 82 -9.192 24.062 -7.389 670 HB3 LEU 82 HB3 LEU 82 -8.055 25.296 -7.887 671 HG LEU 82 HG LEU 82 -10.358 24.203 -9.509 672 HD11 LEU 82 HD11 LEU 82 -11.252 26.450 -9.330 673 HD12 LEU 82 HD12 LEU 82 -9.865 26.940 -8.360 674 HD13 LEU 82 HD13 LEU 82 -10.999 25.744 -7.734 675 HD21 LEU 82 HD21 LEU 82 -8.454 24.683 -10.968 676 HD22 LEU 82 HD22 LEU 82 -8.330 26.303 -10.280 677 HD23 LEU 82 HD23 LEU 82 -9.758 25.846 -11.210 678 H ASN 83 H ASN 83 -6.678 23.053 -11.010 679 HA ASN 83 HA ASN 83 -4.966 24.975 -11.638 680 HB2 ASN 83 HB2 ASN 83 -3.964 24.741 -9.330 681 HB3 ASN 83 HB3 ASN 83 -3.378 23.155 -9.816 682 HD21 ASN 83 HD21 ASN 83 -3.096 26.573 -10.317 683 HD22 ASN 83 HD22 ASN 83 -1.582 26.529 -11.147 684 H ILE 84 H ILE 84 -3.704 24.403 -13.409 685 HA ILE 84 HA ILE 84 -4.392 22.021 -14.694 686 HB ILE 84 HB ILE 84 -2.039 23.817 -15.313 687 HG12 ILE 84 HG12 ILE 84 -4.865 23.796 -16.404 688 HG13 ILE 84 HG13 ILE 84 -4.207 24.995 -15.300 689 HG21 ILE 84 HG21 ILE 84 -1.822 21.630 -16.376 690 HG22 ILE 84 HG22 ILE 84 -2.196 22.866 -17.578 691 HG23 ILE 84 HG23 ILE 84 -3.459 21.768 -17.021 692 HD11 ILE 84 HD11 ILE 84 -2.621 25.696 -17.010 693 HD12 ILE 84 HD12 ILE 84 -4.286 25.826 -17.575 694 HD13 ILE 84 HD13 ILE 84 -3.275 24.485 -18.113 695 H LEU 85 H LEU 85 -1.385 22.846 -12.876 696 HA LEU 85 HA LEU 85 -0.108 20.403 -13.543 697 HB2 LEU 85 HB2 LEU 85 1.008 22.595 -12.972 698 HB3 LEU 85 HB3 LEU 85 0.492 22.363 -11.318 699 HG LEU 85 HG LEU 85 2.266 20.348 -12.692 700 HD11 LEU 85 HD11 LEU 85 3.347 22.519 -12.901 701 HD12 LEU 85 HD12 LEU 85 4.184 21.507 -11.726 702 HD13 LEU 85 HD13 LEU 85 3.127 22.807 -11.174 703 HD21 LEU 85 HD21 LEU 85 2.959 19.861 -10.396 704 HD22 LEU 85 HD22 LEU 85 1.216 19.669 -10.589 705 HD23 LEU 85 HD23 LEU 85 1.862 21.107 -9.796 706 H GLU 86 H GLU 86 -1.835 21.682 -10.701 707 HA GLU 86 HA GLU 86 -1.456 19.444 -9.059 708 HB2 GLU 86 HB2 GLU 86 -3.710 21.460 -9.076 709 HB3 GLU 86 HB3 GLU 86 -3.504 20.238 -7.835 710 HG2 GLU 86 HG2 GLU 86 -1.341 21.173 -7.230 711 HG3 GLU 86 HG3 GLU 86 -1.494 22.380 -8.500 712 H ARG 87 H ARG 87 -4.012 20.178 -11.453 713 HA ARG 87 HA ARG 87 -5.646 17.996 -11.074 714 HB2 ARG 87 HB2 ARG 87 -6.185 19.778 -12.642 715 HB3 ARG 87 HB3 ARG 87 -4.807 19.358 -13.647 716 HG2 ARG 87 HG2 ARG 87 -6.778 18.531 -14.705 717 HG3 ARG 87 HG3 ARG 87 -5.879 17.148 -14.080 718 HD2 ARG 87 HD2 ARG 87 -8.243 16.879 -13.623 719 HD3 ARG 87 HD3 ARG 87 -7.359 17.109 -12.113 720 HE ARG 87 HE ARG 87 -8.815 19.293 -13.452 721 HH11 ARG 87 HH11 ARG 87 -8.052 17.447 -10.562 722 HH12 ARG 87 HH12 ARG 87 -8.943 18.495 -9.507 723 HH21 ARG 87 HH21 ARG 87 -10.017 20.653 -12.045 724 HH22 ARG 87 HH22 ARG 87 -10.049 20.310 -10.351 725 H PHE 88 H PHE 88 -2.812 18.286 -13.169 726 HA PHE 88 HA PHE 88 -2.809 15.669 -14.151 727 HB2 PHE 88 HB2 PHE 88 -1.571 17.383 -15.278 728 HB3 PHE 88 HB3 PHE 88 -0.585 17.690 -13.855 729 HD1 PHE 88 HD1 PHE 88 -1.449 14.910 -16.191 730 HD2 PHE 88 HD2 PHE 88 1.517 16.774 -13.775 731 HE1 PHE 88 HE1 PHE 88 0.228 13.311 -17.023 732 HE2 PHE 88 HE2 PHE 88 3.199 15.178 -14.602 733 HZ PHE 88 HZ PHE 88 2.553 13.443 -16.228 734 H ASN 89 H ASN 89 -0.970 17.069 -11.427 735 HA ASN 89 HA ASN 89 0.483 14.735 -10.817 736 HB2 ASN 89 HB2 ASN 89 -0.217 17.189 -9.244 737 HB3 ASN 89 HB3 ASN 89 0.585 15.838 -8.454 738 HD21 ASN 89 HD21 ASN 89 1.175 16.628 -11.793 739 HD22 ASN 89 HD22 ASN 89 2.782 17.218 -11.570 740 H TYR 90 H TYR 90 -2.426 16.017 -9.216 741 HA TYR 90 HA TYR 90 -2.857 13.935 -7.449 742 HB2 TYR 90 HB2 TYR 90 -4.709 15.881 -8.783 743 HB3 TYR 90 HB3 TYR 90 -5.335 14.650 -7.693 744 HD1 TYR 90 HD1 TYR 90 -2.289 16.840 -7.563 745 HD2 TYR 90 HD2 TYR 90 -5.902 15.615 -5.685 746 HE1 TYR 90 HE1 TYR 90 -1.775 18.270 -5.662 747 HE2 TYR 90 HE2 TYR 90 -5.390 17.042 -3.766 748 HH TYR 90 HH TYR 90 -3.276 19.473 -3.810 749 H GLU 91 H GLU 91 -4.222 14.340 -10.677 750 HA GLU 91 HA GLU 91 -5.701 11.993 -10.890 751 HB2 GLU 91 HB2 GLU 91 -5.745 13.869 -12.497 752 HB3 GLU 91 HB3 GLU 91 -4.151 13.404 -13.068 753 HG2 GLU 91 HG2 GLU 91 -5.690 12.568 -14.635 754 HG3 GLU 91 HG3 GLU 91 -5.145 11.182 -13.690 755 H GLU 92 H GLU 92 -2.316 12.578 -11.826 756 HA GLU 92 HA GLU 92 -1.823 9.996 -12.838 757 HB2 GLU 92 HB2 GLU 92 -0.561 12.327 -13.052 758 HB3 GLU 92 HB3 GLU 92 0.369 11.688 -11.710 759 HG2 GLU 92 HG2 GLU 92 0.016 10.160 -14.269 760 HG3 GLU 92 HG3 GLU 92 1.283 11.363 -14.062 761 H ALA 93 H ALA 93 -1.272 11.442 -9.601 762 HA ALA 93 HA ALA 93 0.233 9.284 -8.583 763 HB1 ALA 93 HB1 ALA 93 -1.429 11.332 -7.112 764 HB2 ALA 93 HB2 ALA 93 0.254 11.534 -7.598 765 HB3 ALA 93 HB3 ALA 93 -0.178 10.304 -6.410 766 H GLN 94 H GLN 94 -3.205 10.115 -8.523 767 HA GLN 94 HA GLN 94 -3.994 7.952 -6.880 768 HB2 GLN 94 HB2 GLN 94 -5.334 10.057 -7.414 769 HB3 GLN 94 HB3 GLN 94 -5.736 9.294 -8.947 770 HG2 GLN 94 HG2 GLN 94 -6.653 7.367 -7.633 771 HG3 GLN 94 HG3 GLN 94 -6.445 8.348 -6.184 772 HE21 GLN 94 HE21 GLN 94 -7.768 10.167 -5.873 773 HE22 GLN 94 HE22 GLN 94 -9.211 10.379 -6.807 774 H THR 95 H THR 95 -3.630 8.376 -10.342 775 HA THR 95 HA THR 95 -4.748 6.005 -11.257 776 HB THR 95 HB THR 95 -2.295 7.404 -12.359 777 HG1 THR 95 HG1 THR 95 -4.301 8.659 -12.223 778 HG21 THR 95 HG21 THR 95 -2.862 6.290 -14.475 779 HG22 THR 95 HG22 THR 95 -4.195 5.451 -13.680 780 HG23 THR 95 HG23 THR 95 -2.531 5.105 -13.211 781 H LEU 96 H LEU 96 -1.494 6.641 -9.988 782 HA LEU 96 HA LEU 96 -0.503 4.019 -10.494 783 HB2 LEU 96 HB2 LEU 96 0.461 6.109 -8.546 784 HB3 LEU 96 HB3 LEU 96 1.343 4.667 -9.011 785 HG LEU 96 HG LEU 96 0.604 6.918 -10.875 786 HD11 LEU 96 HD11 LEU 96 3.255 6.212 -9.628 787 HD12 LEU 96 HD12 LEU 96 2.246 7.591 -9.195 788 HD13 LEU 96 HD13 LEU 96 2.962 7.497 -10.799 789 HD21 LEU 96 HD21 LEU 96 2.356 4.491 -11.274 790 HD22 LEU 96 HD22 LEU 96 2.133 5.804 -12.432 791 HD23 LEU 96 HD23 LEU 96 0.776 4.764 -12.010 792 H SER 97 H SER 97 -2.117 5.631 -7.862 793 HA SER 97 HA SER 97 -1.684 3.805 -5.813 794 HB2 SER 97 HB2 SER 97 -4.164 5.471 -6.310 795 HB3 SER 97 HB3 SER 97 -3.696 4.744 -4.773 796 HG SER 97 HG SER 97 -2.054 6.599 -6.172 797 H LYS 98 H LYS 98 -4.412 3.947 -8.164 798 HA LYS 98 HA LYS 98 -5.677 1.627 -7.269 799 HB2 LYS 98 HB2 LYS 98 -5.785 3.258 -9.763 800 HB3 LYS 98 HB3 LYS 98 -6.535 1.671 -9.769 801 HG2 LYS 98 HG2 LYS 98 -8.264 3.135 -9.228 802 HG3 LYS 98 HG3 LYS 98 -7.784 2.441 -7.682 803 HD2 LYS 98 HD2 LYS 98 -6.431 4.442 -7.224 804 HD3 LYS 98 HD3 LYS 98 -6.954 5.134 -8.760 805 HE2 LYS 98 HE2 LYS 98 -8.693 4.437 -6.397 806 HE3 LYS 98 HE3 LYS 98 -8.283 6.054 -6.964 807 HZ1 LYS 98 HZ1 LYS 98 -9.908 4.040 -8.425 808 HZ2 LYS 98 HZ2 LYS 98 -9.468 5.548 -9.044 809 HZ3 LYS 98 HZ3 LYS 98 -10.480 5.451 -7.692 810 H ILE 99 H ILE 99 -3.064 2.097 -9.628 811 HA ILE 99 HA ILE 99 -3.188 -0.516 -10.710 812 HB ILE 99 HB ILE 99 -0.861 1.422 -10.549 813 HG12 ILE 99 HG12 ILE 99 -2.769 0.813 -12.820 814 HG13 ILE 99 HG13 ILE 99 -2.838 2.245 -11.800 815 HG21 ILE 99 HG21 ILE 99 -1.184 -1.055 -12.242 816 HG22 ILE 99 HG22 ILE 99 -0.077 -0.869 -10.881 817 HG23 ILE 99 HG23 ILE 99 0.150 0.094 -12.343 818 HD11 ILE 99 HD11 ILE 99 -0.587 1.495 -13.650 819 HD12 ILE 99 HD12 ILE 99 -0.636 2.927 -12.621 820 HD13 ILE 99 HD13 ILE 99 -1.800 2.741 -13.933 821 H LEU 100 H LEU 100 -1.257 0.945 -8.116 822 HA LEU 100 HA LEU 100 0.265 -1.326 -7.479 823 HB2 LEU 100 HB2 LEU 100 -0.581 0.979 -5.727 824 HB3 LEU 100 HB3 LEU 100 0.616 -0.218 -5.275 825 HG LEU 100 HG LEU 100 0.855 1.725 -7.577 826 HD11 LEU 100 HD11 LEU 100 1.029 2.824 -5.423 827 HD12 LEU 100 HD12 LEU 100 2.603 2.758 -6.216 828 HD13 LEU 100 HD13 LEU 100 2.231 1.646 -4.898 829 HD21 LEU 100 HD21 LEU 100 2.806 -0.309 -6.490 830 HD22 LEU 100 HD22 LEU 100 3.180 0.917 -7.701 831 HD23 LEU 100 HD23 LEU 100 2.014 -0.354 -8.066 832 H LEU 101 H LEU 101 -2.801 -0.151 -6.140 833 HA LEU 101 HA LEU 101 -3.115 -2.175 -4.204 834 HB2 LEU 101 HB2 LEU 101 -5.219 -0.583 -5.666 835 HB3 LEU 101 HB3 LEU 101 -5.511 -1.557 -4.240 836 HG LEU 101 HG LEU 101 -3.746 0.887 -4.359 837 HD11 LEU 101 HD11 LEU 101 -6.471 0.487 -3.141 838 HD12 LEU 101 HD12 LEU 101 -6.120 1.405 -4.606 839 HD13 LEU 101 HD13 LEU 101 -5.496 1.955 -3.051 840 HD21 LEU 101 HD21 LEU 101 -3.695 0.688 -1.915 841 HD22 LEU 101 HD22 LEU 101 -2.973 -0.719 -2.692 842 HD23 LEU 101 HD23 LEU 101 -4.600 -0.823 -2.021 843 H LYS 102 H LYS 102 -4.113 -1.962 -7.591 844 HA LYS 102 HA LYS 102 -5.607 -4.345 -7.622 845 HB2 LYS 102 HB2 LYS 102 -5.869 -2.634 -9.347 846 HB3 LYS 102 HB3 LYS 102 -4.207 -2.850 -9.854 847 HG2 LYS 102 HG2 LYS 102 -6.124 -5.147 -9.995 848 HG3 LYS 102 HG3 LYS 102 -6.146 -3.896 -11.236 849 HD2 LYS 102 HD2 LYS 102 -3.687 -5.451 -10.440 850 HD3 LYS 102 HD3 LYS 102 -4.731 -5.887 -11.796 851 HE2 LYS 102 HE2 LYS 102 -3.215 -3.292 -11.477 852 HE3 LYS 102 HE3 LYS 102 -2.745 -4.638 -12.511 853 HZ1 LYS 102 HZ1 LYS 102 -5.175 -2.955 -12.795 854 HZ2 LYS 102 HZ2 LYS 102 -4.849 -4.330 -13.723 855 HZ3 LYS 102 HZ3 LYS 102 -3.832 -2.990 -13.820 856 H ASP 103 H ASP 103 -2.135 -3.670 -8.338 857 HA ASP 103 HA ASP 103 -1.610 -6.322 -9.187 858 HB2 ASP 103 HB2 ASP 103 -0.258 -4.078 -9.532 859 HB3 ASP 103 HB3 ASP 103 0.505 -4.548 -8.018 860 H LEU 104 H LEU 104 -1.531 -4.629 -6.031 861 HA LEU 104 HA LEU 104 -0.210 -6.599 -4.571 862 HB2 LEU 104 HB2 LEU 104 -0.709 -4.236 -3.886 863 HB3 LEU 104 HB3 LEU 104 -2.385 -4.700 -3.686 864 HG LEU 104 HG LEU 104 -1.629 -6.347 -1.944 865 HD11 LEU 104 HD11 LEU 104 0.964 -4.850 -2.258 866 HD12 LEU 104 HD12 LEU 104 0.688 -6.564 -2.576 867 HD13 LEU 104 HD13 LEU 104 0.576 -5.940 -0.930 868 HD21 LEU 104 HD21 LEU 104 -2.624 -4.200 -1.358 869 HD22 LEU 104 HD22 LEU 104 -1.039 -3.431 -1.450 870 HD23 LEU 104 HD23 LEU 104 -1.359 -4.644 -0.210 871 H LYS 105 H LYS 105 -3.662 -5.987 -5.174 872 HA LYS 105 HA LYS 105 -4.688 -8.176 -3.796 873 HB2 LYS 105 HB2 LYS 105 -5.727 -6.568 -6.111 874 HB3 LYS 105 HB3 LYS 105 -6.637 -7.930 -5.477 875 HG2 LYS 105 HG2 LYS 105 -5.731 -5.596 -3.805 876 HG3 LYS 105 HG3 LYS 105 -7.320 -5.716 -4.566 877 HD2 LYS 105 HD2 LYS 105 -7.854 -7.675 -3.290 878 HD3 LYS 105 HD3 LYS 105 -6.212 -7.774 -2.657 879 HE2 LYS 105 HE2 LYS 105 -6.524 -5.694 -1.453 880 HE3 LYS 105 HE3 LYS 105 -8.142 -5.522 -2.131 881 HZ1 LYS 105 HZ1 LYS 105 -7.993 -6.466 0.183 882 HZ2 LYS 105 HZ2 LYS 105 -7.350 -7.875 -0.513 883 HZ3 LYS 105 HZ3 LYS 105 -8.901 -7.364 -0.924 884 H GLU 106 H GLU 106 -3.245 -8.010 -6.972 885 HA GLU 106 HA GLU 106 -4.074 -10.569 -7.853 886 HB2 GLU 106 HB2 GLU 106 -2.613 -8.485 -8.942 887 HB3 GLU 106 HB3 GLU 106 -1.403 -9.741 -8.727 888 HG2 GLU 106 HG2 GLU 106 -3.986 -10.046 -10.248 889 HG3 GLU 106 HG3 GLU 106 -2.401 -9.777 -10.966 890 H THR 107 H THR 107 -1.405 -9.380 -5.863 891 HA THR 107 HA THR 107 0.029 -11.819 -5.672 892 HB THR 107 HB THR 107 -0.110 -9.692 -3.523 893 HG1 THR 107 HG1 THR 107 1.899 -9.569 -5.442 894 HG21 THR 107 HG21 THR 107 1.117 -11.733 -2.951 895 HG22 THR 107 HG22 THR 107 2.219 -10.369 -3.129 896 HG23 THR 107 HG23 THR 107 2.088 -11.568 -4.412 897 H GLU 108 H GLU 108 -2.384 -10.240 -3.557 898 HA GLU 108 HA GLU 108 -2.766 -12.135 -1.625 899 HB2 GLU 108 HB2 GLU 108 -3.925 -9.980 -1.659 900 HB3 GLU 108 HB3 GLU 108 -4.863 -10.487 -3.057 901 HG2 GLU 108 HG2 GLU 108 -5.599 -12.433 -1.465 902 HG3 GLU 108 HG3 GLU 108 -5.114 -11.300 -0.207 903 H GLN 109 H GLN 109 -4.281 -11.971 -4.805 904 HA GLN 109 HA GLN 109 -5.791 -14.293 -4.568 905 HB2 GLN 109 HB2 GLN 109 -6.363 -12.759 -6.267 906 HB3 GLN 109 HB3 GLN 109 -4.746 -12.795 -6.951 907 HG2 GLN 109 HG2 GLN 109 -5.076 -14.920 -7.883 908 HG3 GLN 109 HG3 GLN 109 -6.520 -15.203 -6.907 909 HE21 GLN 109 HE21 GLN 109 -5.197 -13.345 -9.585 910 HE22 GLN 109 HE22 GLN 109 -6.731 -13.001 -10.313 911 H LYS 110 H LYS 110 -2.503 -13.825 -5.768 912 HA LYS 110 HA LYS 110 -2.142 -16.482 -6.661 913 HB2 LYS 110 HB2 LYS 110 -0.067 -14.506 -5.719 914 HB3 LYS 110 HB3 LYS 110 0.264 -15.991 -6.590 915 HG2 LYS 110 HG2 LYS 110 -1.322 -13.667 -7.672 916 HG3 LYS 110 HG3 LYS 110 0.376 -13.987 -8.014 917 HD2 LYS 110 HD2 LYS 110 -0.523 -14.991 -9.845 918 HD3 LYS 110 HD3 LYS 110 -0.646 -16.351 -8.732 919 HE2 LYS 110 HE2 LYS 110 -2.971 -15.775 -8.265 920 HE3 LYS 110 HE3 LYS 110 -2.840 -14.359 -9.307 921 HZ1 LYS 110 HZ1 LYS 110 -2.486 -15.783 -11.191 922 HZ2 LYS 110 HZ2 LYS 110 -3.904 -16.265 -10.419 923 HZ3 LYS 110 HZ3 LYS 110 -2.485 -17.159 -10.221 924 H VAL 111 H VAL 111 -1.305 -14.921 -3.577 925 HA VAL 111 HA VAL 111 -0.066 -17.205 -2.475 926 HB VAL 111 HB VAL 111 0.361 -14.976 -1.534 927 HG11 VAL 111 HG11 VAL 111 -2.450 -15.075 -0.473 928 HG12 VAL 111 HG12 VAL 111 -1.855 -14.010 -1.747 929 HG13 VAL 111 HG13 VAL 111 -1.241 -13.845 -0.101 930 HG21 VAL 111 HG21 VAL 111 0.800 -16.892 -0.121 931 HG22 VAL 111 HG22 VAL 111 -0.862 -16.866 0.468 932 HG23 VAL 111 HG23 VAL 111 0.231 -15.537 0.852 933 H LYS 112 H LYS 112 -3.401 -16.009 -2.227 934 HA LYS 112 HA LYS 112 -4.219 -18.174 -0.569 935 HB2 LYS 112 HB2 LYS 112 -6.412 -17.306 -0.729 936 HB3 LYS 112 HB3 LYS 112 -5.338 -15.920 -0.732 937 HG2 LYS 112 HG2 LYS 112 -5.576 -15.949 -3.266 938 HG3 LYS 112 HG3 LYS 112 -6.934 -17.049 -3.000 939 HD2 LYS 112 HD2 LYS 112 -7.858 -15.317 -1.395 940 HD3 LYS 112 HD3 LYS 112 -6.613 -14.228 -1.997 941 HE2 LYS 112 HE2 LYS 112 -7.542 -14.552 -4.295 942 HE3 LYS 112 HE3 LYS 112 -8.843 -15.490 -3.576 943 HZ1 LYS 112 HZ1 LYS 112 -9.580 -13.593 -2.369 944 HZ2 LYS 112 HZ2 LYS 112 -9.397 -13.128 -3.983 945 HZ3 LYS 112 HZ3 LYS 112 -8.239 -12.673 -2.836 946 H ASP 113 H ASP 113 -3.609 -17.893 -3.868 947 HA ASP 113 HA ASP 113 -5.364 -19.984 -4.746 948 HB2 ASP 113 HB2 ASP 113 -4.619 -18.226 -6.304 949 HB3 ASP 113 HB3 ASP 113 -2.958 -18.783 -6.135 950 H ILE 114 H ILE 114 -2.094 -19.827 -3.421 951 HA ILE 114 HA ILE 114 -1.321 -22.424 -4.314 952 HB ILE 114 HB ILE 114 -0.162 -20.311 -2.576 953 HG12 ILE 114 HG12 ILE 114 1.911 -20.964 -3.773 954 HG13 ILE 114 HG13 ILE 114 1.014 -22.250 -4.570 955 HG21 ILE 114 HG21 ILE 114 1.532 -21.821 -1.591 956 HG22 ILE 114 HG22 ILE 114 0.587 -23.198 -2.161 957 HG23 ILE 114 HG23 ILE 114 -0.097 -22.090 -0.972 958 HD11 ILE 114 HD11 ILE 114 -0.424 -20.575 -5.603 959 HD12 ILE 114 HD12 ILE 114 1.276 -20.363 -6.022 960 HD13 ILE 114 HD13 ILE 114 0.522 -19.302 -4.830 961 H GLN 115 H GLN 115 -2.051 -24.249 -3.603 962 HA GLN 115 HA GLN 115 -3.581 -24.508 -1.205 963 HB2 GLN 115 HB2 GLN 115 -3.680 -26.905 -1.803 964 HB3 GLN 115 HB3 GLN 115 -4.131 -25.866 -3.146 965 HG2 GLN 115 HG2 GLN 115 -1.885 -26.153 -4.101 966 HG3 GLN 115 HG3 GLN 115 -1.470 -27.229 -2.769 967 HE21 GLN 115 HE21 GLN 115 -2.441 -29.267 -2.664 968 HE22 GLN 115 HE22 GLN 115 -3.172 -29.993 -4.050 969 H THR 116 H THR 116 -2.736 -24.699 0.788 970 HA THR 116 HA THR 116 -0.173 -26.084 1.063 971 HB THR 116 HB THR 116 -0.013 -24.603 3.200 972 HG1 THR 116 HG1 THR 116 -1.670 -23.276 3.364 973 HG21 THR 116 HG21 THR 116 1.123 -22.835 1.901 974 HG22 THR 116 HG22 THR 116 0.363 -23.450 0.434 975 HG23 THR 116 HG23 THR 116 1.527 -24.446 1.302 976 H GLN 117 H GLN 117 -0.196 -26.258 3.860 977 HA GLN 117 HA GLN 117 -2.329 -28.205 4.182 978 HB2 GLN 117 HB2 GLN 117 0.026 -28.819 4.776 979 HB3 GLN 117 HB3 GLN 117 -0.065 -27.637 6.076 980 HG2 GLN 117 HG2 GLN 117 -0.458 -29.975 6.808 981 HG3 GLN 117 HG3 GLN 117 -1.767 -28.862 7.192 982 HE21 GLN 117 HE21 GLN 117 -3.730 -29.069 6.143 983 HE22 GLN 117 HE22 GLN 117 -4.154 -30.469 5.226 Start of MODEL 12 1 H GLN 1 H1 GLN 1 30.209 15.055 16.976 2 HA GLN 1 HA GLN 1 30.381 14.429 14.101 3 HB2 GLN 1 HB2 GLN 1 28.999 16.709 15.528 4 HB3 GLN 1 HB3 GLN 1 29.094 16.492 13.787 5 HG2 GLN 1 HG2 GLN 1 27.812 14.405 14.012 6 HG3 GLN 1 HG3 GLN 1 27.663 14.713 15.741 7 HE21 GLN 1 HE21 GLN 1 26.680 15.690 12.565 8 HE22 GLN 1 HE22 GLN 1 25.357 16.696 13.061 9 H GLU 2 H GLU 2 31.664 15.842 12.889 10 HA GLU 2 HA GLU 2 33.805 17.063 14.420 11 HB2 GLU 2 HB2 GLU 2 33.458 16.883 11.424 12 HB3 GLU 2 HB3 GLU 2 34.918 17.353 12.280 13 HG2 GLU 2 HG2 GLU 2 34.947 15.076 13.301 14 HG3 GLU 2 HG3 GLU 2 33.627 14.643 12.215 15 H HIS 3 H HIS 3 34.217 19.224 14.535 16 HA HIS 3 HA HIS 3 32.050 21.006 13.968 17 HB2 HIS 3 HB2 HIS 3 33.409 21.297 15.982 18 HB3 HIS 3 HB3 HIS 3 34.839 21.573 14.998 19 HD1 HIS 3 HD1 HIS 3 35.414 23.966 14.891 20 HD2 HIS 3 HD2 HIS 3 31.311 23.397 15.186 21 HE1 HIS 3 HE1 HIS 3 34.416 26.268 14.956 22 HE2 HIS 3 HE2 HIS 3 31.930 25.894 14.942 23 H LYS 4 H LYS 4 32.082 20.487 11.742 24 HA LYS 4 HA LYS 4 33.943 22.203 10.200 25 HB2 LYS 4 HB2 LYS 4 32.649 19.665 9.194 26 HB3 LYS 4 HB3 LYS 4 33.727 20.716 8.283 27 HG2 LYS 4 HG2 LYS 4 34.449 19.117 10.736 28 HG3 LYS 4 HG3 LYS 4 34.907 18.752 9.071 29 HD2 LYS 4 HD2 LYS 4 36.175 20.829 8.954 30 HD3 LYS 4 HD3 LYS 4 35.680 21.235 10.597 31 HE2 LYS 4 HE2 LYS 4 36.802 19.176 11.393 32 HE3 LYS 4 HE3 LYS 4 37.382 18.901 9.750 33 HZ1 LYS 4 HZ1 LYS 4 39.054 19.992 11.090 34 HZ2 LYS 4 HZ2 LYS 4 37.992 21.263 11.430 35 HZ3 LYS 4 HZ3 LYS 4 38.536 21.015 9.848 36 HA PRO 5 HA PRO 5 30.333 24.295 8.617 37 HB2 PRO 5 HB2 PRO 5 31.586 25.851 6.838 38 HB3 PRO 5 HB3 PRO 5 31.827 26.102 8.573 39 HG2 PRO 5 HG2 PRO 5 33.567 24.608 6.629 40 HG3 PRO 5 HG3 PRO 5 34.042 25.829 7.827 41 HD2 PRO 5 HD2 PRO 5 34.280 23.171 8.262 42 HD3 PRO 5 HD3 PRO 5 33.935 24.324 9.568 43 H LYS 6 H LYS 6 30.912 21.621 7.623 44 HA LYS 6 HA LYS 6 31.286 21.470 4.860 45 HB2 LYS 6 HB2 LYS 6 31.464 19.579 6.428 46 HB3 LYS 6 HB3 LYS 6 29.720 19.597 6.634 47 HG2 LYS 6 HG2 LYS 6 29.414 19.038 4.288 48 HG3 LYS 6 HG3 LYS 6 31.159 19.076 4.041 49 HD2 LYS 6 HD2 LYS 6 29.690 17.195 5.895 50 HD3 LYS 6 HD3 LYS 6 30.309 16.778 4.297 51 HE2 LYS 6 HE2 LYS 6 32.007 17.753 6.593 52 HE3 LYS 6 HE3 LYS 6 31.786 16.058 6.170 53 HZ1 LYS 6 HZ1 LYS 6 32.974 18.130 4.401 54 HZ2 LYS 6 HZ2 LYS 6 32.794 16.498 4.022 55 HZ3 LYS 6 HZ3 LYS 6 33.839 16.962 5.262 56 H LYS 7 H LYS 7 28.229 21.216 6.680 57 HA LYS 7 HA LYS 7 26.740 22.863 4.959 58 HB2 LYS 7 HB2 LYS 7 27.101 20.801 3.482 59 HB3 LYS 7 HB3 LYS 7 26.125 19.911 4.639 60 HG2 LYS 7 HG2 LYS 7 24.239 21.431 4.187 61 HG3 LYS 7 HG3 LYS 7 25.227 22.268 2.990 62 HD2 LYS 7 HD2 LYS 7 25.457 20.116 1.764 63 HD3 LYS 7 HD3 LYS 7 24.342 19.383 2.917 64 HE2 LYS 7 HE2 LYS 7 23.724 21.724 1.113 65 HE3 LYS 7 HE3 LYS 7 23.211 20.061 0.841 66 HZ1 LYS 7 HZ1 LYS 7 21.943 20.176 2.918 67 HZ2 LYS 7 HZ2 LYS 7 21.440 21.349 1.819 68 HZ3 LYS 7 HZ3 LYS 7 22.410 21.790 3.125 69 H ASP 8 H ASP 8 24.374 22.707 5.563 70 HA ASP 8 HA ASP 8 24.017 22.649 8.335 71 HB2 ASP 8 HB2 ASP 8 21.934 22.336 6.159 72 HB3 ASP 8 HB3 ASP 8 21.590 22.713 7.843 73 H ASP 9 H ASP 9 23.759 21.007 9.730 74 HA ASP 9 HA ASP 9 23.786 18.321 8.787 75 HB2 ASP 9 HB2 ASP 9 24.883 18.990 10.902 76 HB3 ASP 9 HB3 ASP 9 23.304 19.339 11.598 77 H PHE 10 H PHE 10 21.344 20.557 9.680 78 HA PHE 10 HA PHE 10 19.293 18.699 10.205 79 HB2 PHE 10 HB2 PHE 10 19.193 21.603 9.393 80 HB3 PHE 10 HB3 PHE 10 17.766 20.657 9.814 81 HD1 PHE 10 HD1 PHE 10 21.029 21.781 11.120 82 HD2 PHE 10 HD2 PHE 10 17.115 20.432 12.038 83 HE1 PHE 10 HE1 PHE 10 21.419 22.296 13.500 84 HE2 PHE 10 HE2 PHE 10 17.489 20.935 14.419 85 HZ PHE 10 HZ PHE 10 19.647 21.870 15.151 86 H ARG 11 H ARG 11 18.351 17.408 8.827 87 HA ARG 11 HA ARG 11 18.469 18.061 5.967 88 HB2 ARG 11 HB2 ARG 11 18.490 15.378 7.346 89 HB3 ARG 11 HB3 ARG 11 18.367 15.594 5.606 90 HG2 ARG 11 HG2 ARG 11 20.551 16.502 5.473 91 HG3 ARG 11 HG3 ARG 11 20.659 16.665 7.228 92 HD2 ARG 11 HD2 ARG 11 20.370 14.034 5.797 93 HD3 ARG 11 HD3 ARG 11 21.921 14.723 6.271 94 HE ARG 11 HE ARG 11 20.767 14.720 8.609 95 HH11 ARG 11 HH11 ARG 11 20.492 12.232 6.146 96 HH12 ARG 11 HH12 ARG 11 20.300 10.949 7.292 97 HH21 ARG 11 HH21 ARG 11 20.516 13.009 10.118 98 HH22 ARG 11 HH22 ARG 11 20.312 11.387 9.545 99 H ASN 12 H ASN 12 16.544 18.962 5.568 100 HA ASN 12 HA ASN 12 14.170 17.303 6.081 101 HB2 ASN 12 HB2 ASN 12 14.432 20.296 6.398 102 HB3 ASN 12 HB3 ASN 12 12.873 19.518 6.160 103 HD21 ASN 12 HD21 ASN 12 13.770 21.048 8.403 104 HD22 ASN 12 HD22 ASN 12 13.692 20.019 9.787 105 H GLU 13 H GLU 13 13.434 16.602 4.222 106 HA GLU 13 HA GLU 13 14.299 17.527 1.731 107 HB2 GLU 13 HB2 GLU 13 13.289 15.263 2.318 108 HB3 GLU 13 HB3 GLU 13 11.721 16.043 2.173 109 HG2 GLU 13 HG2 GLU 13 12.230 14.923 0.121 110 HG3 GLU 13 HG3 GLU 13 12.294 16.665 -0.149 111 H PHE 14 H PHE 14 11.053 18.000 3.310 112 HA PHE 14 HA PHE 14 10.882 20.627 2.284 113 HB2 PHE 14 HB2 PHE 14 10.178 18.957 0.373 114 HB3 PHE 14 HB3 PHE 14 8.732 18.735 1.349 115 HD1 PHE 14 HD2 PHE 14 7.263 20.710 1.809 116 HD2 PHE 14 HD1 PHE 14 10.473 20.851 -0.970 117 HE1 PHE 14 HE2 PHE 14 6.285 22.725 0.789 118 HE2 PHE 14 HE1 PHE 14 9.503 22.859 -1.993 119 HZ PHE 14 HZ PHE 14 7.408 23.801 -1.116 120 H ASP 15 H ASP 15 9.313 21.742 3.497 121 HA ASP 15 HA ASP 15 8.767 20.803 6.053 122 HB2 ASP 15 HB2 ASP 15 8.702 23.193 5.376 123 HB3 ASP 15 HB3 ASP 15 7.168 22.892 4.566 124 H HIS 16 H HIS 16 6.402 21.147 3.416 125 HA HIS 16 HA HIS 16 5.125 18.680 4.056 126 HB2 HIS 16 HB2 HIS 16 2.968 19.497 4.774 127 HB3 HIS 16 HB3 HIS 16 4.178 20.203 5.832 128 HD1 HIS 16 HD1 HIS 16 1.179 21.125 4.358 129 HD2 HIS 16 HD2 HIS 16 4.897 22.967 4.533 130 HE1 HIS 16 HE1 HIS 16 0.747 23.565 3.932 131 HE2 HIS 16 HE2 HIS 16 2.986 24.674 4.235 132 H LEU 17 H LEU 17 3.317 18.251 2.522 133 HA LEU 17 HA LEU 17 2.623 19.731 0.374 134 HB2 LEU 17 HB2 LEU 17 5.283 19.549 0.122 135 HB3 LEU 17 HB3 LEU 17 4.861 18.015 -0.602 136 HG LEU 17 HG LEU 17 3.798 20.676 -1.557 137 HD11 LEU 17 HD11 LEU 17 6.075 19.036 -2.655 138 HD12 LEU 17 HD12 LEU 17 6.208 20.593 -1.839 139 HD13 LEU 17 HD13 LEU 17 5.389 20.481 -3.394 140 HD21 LEU 17 HD21 LEU 17 3.756 17.933 -2.816 141 HD22 LEU 17 HD22 LEU 17 3.181 19.416 -3.572 142 HD23 LEU 17 HD23 LEU 17 2.371 18.787 -2.138 143 H LEU 18 H LEU 18 0.853 18.604 0.082 144 HA LEU 18 HA LEU 18 0.431 15.990 0.879 145 HB2 LEU 18 HB2 LEU 18 -1.644 16.177 -0.697 146 HB3 LEU 18 HB3 LEU 18 -1.528 17.122 0.770 147 HG LEU 18 HG LEU 18 -0.642 19.015 -0.723 148 HD11 LEU 18 HD11 LEU 18 -1.821 17.240 -2.834 149 HD12 LEU 18 HD12 LEU 18 -0.142 17.766 -2.706 150 HD13 LEU 18 HD13 LEU 18 -1.410 18.941 -3.049 151 HD21 LEU 18 HD21 LEU 18 -2.860 18.968 0.318 152 HD22 LEU 18 HD22 LEU 18 -3.481 18.108 -1.093 153 HD23 LEU 18 HD23 LEU 18 -2.867 19.752 -1.260 154 H ILE 19 H ILE 19 1.451 17.071 -2.319 155 HA ILE 19 HA ILE 19 0.966 14.553 -3.537 156 HB ILE 19 HB ILE 19 2.509 16.980 -4.406 157 HG12 ILE 19 HG12 ILE 19 0.072 16.888 -4.699 158 HG13 ILE 19 HG13 ILE 19 0.906 16.929 -6.250 159 HG21 ILE 19 HG21 ILE 19 3.897 15.058 -5.107 160 HG22 ILE 19 HG22 ILE 19 3.159 15.879 -6.484 161 HG23 ILE 19 HG23 ILE 19 2.487 14.358 -5.905 162 HD11 ILE 19 HD11 ILE 19 -0.673 15.325 -6.618 163 HD12 ILE 19 HD12 ILE 19 -0.615 14.722 -4.965 164 HD13 ILE 19 HD13 ILE 19 0.683 14.331 -6.093 165 H GLU 20 H GLU 20 3.780 15.981 -1.967 166 HA GLU 20 HA GLU 20 5.559 13.893 -2.674 167 HB2 GLU 20 HB2 GLU 20 5.737 15.683 -0.247 168 HB3 GLU 20 HB3 GLU 20 7.053 14.800 -1.007 169 HG2 GLU 20 HG2 GLU 20 5.530 17.124 -2.139 170 HG3 GLU 20 HG3 GLU 20 7.210 17.108 -1.609 171 H GLN 21 H GLN 21 3.211 14.318 -0.143 172 HA GLN 21 HA GLN 21 4.067 12.178 1.516 173 HB2 GLN 21 HB2 GLN 21 1.269 13.280 1.178 174 HB3 GLN 21 HB3 GLN 21 1.842 12.299 2.517 175 HG2 GLN 21 HG2 GLN 21 2.722 15.093 1.831 176 HG3 GLN 21 HG3 GLN 21 1.695 14.610 3.179 177 HE21 GLN 21 HE21 GLN 21 4.917 14.770 1.945 178 HE22 GLN 21 HE22 GLN 21 5.722 14.338 3.415 179 H ALA 22 H ALA 22 1.887 12.424 -1.268 180 HA ALA 22 HA ALA 22 1.020 9.694 -1.094 181 HB1 ALA 22 HB1 ALA 22 -0.075 10.153 -3.240 182 HB2 ALA 22 HB2 ALA 22 0.768 11.698 -3.342 183 HB3 ALA 22 HB3 ALA 22 -0.422 11.424 -2.068 184 H ASN 23 H ASN 23 3.346 11.566 -2.850 185 HA ASN 23 HA ASN 23 4.234 9.650 -4.711 186 HB2 ASN 23 HB2 ASN 23 4.726 12.161 -4.661 187 HB3 ASN 23 HB3 ASN 23 5.977 11.786 -3.482 188 HD21 ASN 23 HD21 ASN 23 4.964 11.506 -6.778 189 HD22 ASN 23 HD22 ASN 23 6.486 11.033 -7.427 190 H HIS 24 H HIS 24 5.120 10.347 -1.396 191 HA HIS 24 HA HIS 24 7.290 8.522 -1.282 192 HB2 HIS 24 HB2 HIS 24 7.031 10.342 0.359 193 HB3 HIS 24 HB3 HIS 24 5.557 9.598 0.956 194 HD1 HIS 24 HD1 HIS 24 5.813 7.939 2.800 195 HD2 HIS 24 HD2 HIS 24 9.414 8.747 0.894 196 HE1 HIS 24 HE1 HIS 24 7.574 6.791 4.175 197 HE2 HIS 24 HE2 HIS 24 9.749 7.516 3.143 198 H ALA 25 H ALA 25 3.773 8.236 -0.440 199 HA ALA 25 HA ALA 25 3.881 5.672 0.538 200 HB1 ALA 25 HB1 ALA 25 1.980 7.186 0.783 201 HB2 ALA 25 HB2 ALA 25 1.490 5.631 0.104 202 HB3 ALA 25 HB3 ALA 25 1.646 7.041 -0.944 203 H ILE 26 H ILE 26 3.345 6.778 -2.826 204 HA ILE 26 HA ILE 26 2.910 4.176 -3.836 205 HB ILE 26 HB ILE 26 3.383 5.096 -6.090 206 HG12 ILE 26 HG12 ILE 26 3.971 7.664 -4.609 207 HG13 ILE 26 HG13 ILE 26 5.166 6.676 -5.437 208 HG21 ILE 26 HG21 ILE 26 1.158 5.280 -5.136 209 HG22 ILE 26 HG22 ILE 26 1.522 6.682 -6.140 210 HG23 ILE 26 HG23 ILE 26 1.592 6.815 -4.381 211 HD11 ILE 26 HD11 ILE 26 2.851 8.104 -6.729 212 HD12 ILE 26 HD12 ILE 26 4.048 7.113 -7.563 213 HD13 ILE 26 HD13 ILE 26 4.541 8.606 -6.767 214 H GLU 27 H GLU 27 5.853 6.073 -3.441 215 HA GLU 27 HA GLU 27 7.653 4.339 -4.723 216 HB2 GLU 27 HB2 GLU 27 8.224 6.624 -3.958 217 HB3 GLU 27 HB3 GLU 27 8.083 6.097 -2.290 218 HG2 GLU 27 HG2 GLU 27 10.405 6.294 -2.994 219 HG3 GLU 27 HG3 GLU 27 9.993 4.637 -2.562 220 H LYS 28 H LYS 28 6.401 4.430 -1.424 221 HA LYS 28 HA LYS 28 7.875 2.242 -0.413 222 HB2 LYS 28 HB2 LYS 28 6.908 3.744 1.162 223 HB3 LYS 28 HB3 LYS 28 5.319 3.601 0.436 224 HG2 LYS 28 HG2 LYS 28 5.431 2.455 2.587 225 HG3 LYS 28 HG3 LYS 28 5.110 1.325 1.274 226 HD2 LYS 28 HD2 LYS 28 6.709 0.396 2.842 227 HD3 LYS 28 HD3 LYS 28 7.473 0.663 1.274 228 HE2 LYS 28 HE2 LYS 28 8.438 2.770 2.136 229 HE3 LYS 28 HE3 LYS 28 7.701 2.446 3.703 230 HZ1 LYS 28 HZ1 LYS 28 9.717 0.727 2.368 231 HZ2 LYS 28 HZ2 LYS 28 9.042 0.461 3.898 232 HZ3 LYS 28 HZ3 LYS 28 10.031 1.802 3.630 233 H GLY 29 H GLY 29 4.535 2.496 -1.648 234 HA2 GLY 29 HA2 GLY 29 3.775 -0.156 -1.365 235 HA3 GLY 29 HA3 GLY 29 3.129 0.955 -2.561 236 H GLU 30 H GLU 30 5.362 1.411 -4.065 237 HA GLU 30 HA GLU 30 5.322 -0.737 -5.869 238 HB2 GLU 30 HB2 GLU 30 5.882 1.510 -6.587 239 HB3 GLU 30 HB3 GLU 30 7.312 1.516 -5.565 240 HG2 GLU 30 HG2 GLU 30 8.224 -0.342 -6.931 241 HG3 GLU 30 HG3 GLU 30 6.836 -0.183 -8.000 242 H HIS 31 H HIS 31 7.644 0.199 -3.394 243 HA HIS 31 HA HIS 31 9.568 -1.780 -4.052 244 HB2 HIS 31 HB2 HIS 31 9.714 0.431 -2.618 245 HB3 HIS 31 HB3 HIS 31 9.402 -0.688 -1.295 246 HD1 HIS 31 HD1 HIS 31 12.053 0.585 -3.422 247 HD2 HIS 31 HD2 HIS 31 11.403 -2.817 -1.134 248 HE1 HIS 31 HE1 HIS 31 14.316 -0.470 -3.129 249 HE2 HIS 31 HE2 HIS 31 13.918 -2.427 -1.599 250 H GLN 32 H GLN 32 7.075 -1.631 -1.507 251 HA GLN 32 HA GLN 32 7.797 -4.190 -0.487 252 HB2 GLN 32 HB2 GLN 32 5.737 -4.023 0.890 253 HB3 GLN 32 HB3 GLN 32 6.772 -2.622 1.014 254 HG2 GLN 32 HG2 GLN 32 4.656 -1.707 0.928 255 HG3 GLN 32 HG3 GLN 32 5.223 -1.554 -0.729 256 HE21 GLN 32 HE21 GLN 32 4.117 -4.595 0.643 257 HE22 GLN 32 HE22 GLN 32 2.677 -4.695 -0.297 258 H LEU 33 H LEU 33 5.579 -3.158 -2.990 259 HA LEU 33 HA LEU 33 4.167 -5.596 -3.188 260 HB2 LEU 33 HB2 LEU 33 3.329 -3.578 -4.255 261 HB3 LEU 33 HB3 LEU 33 4.748 -3.478 -5.269 262 HG LEU 33 HG LEU 33 2.486 -4.323 -6.266 263 HD11 LEU 33 HD11 LEU 33 4.556 -4.264 -7.523 264 HD12 LEU 33 HD12 LEU 33 3.667 -5.749 -7.869 265 HD13 LEU 33 HD13 LEU 33 5.065 -5.787 -6.794 266 HD21 LEU 33 HD21 LEU 33 3.518 -6.888 -5.036 267 HD22 LEU 33 HD22 LEU 33 2.202 -6.759 -6.199 268 HD23 LEU 33 HD23 LEU 33 2.029 -6.050 -4.597 269 H LEU 34 H LEU 34 7.105 -4.413 -4.819 270 HA LEU 34 HA LEU 34 7.391 -6.788 -6.357 271 HB2 LEU 34 HB2 LEU 34 9.629 -5.974 -6.941 272 HB3 LEU 34 HB3 LEU 34 8.411 -4.741 -7.159 273 HG LEU 34 HG LEU 34 9.215 -3.907 -4.814 274 HD11 LEU 34 HD11 LEU 34 11.596 -4.304 -4.408 275 HD12 LEU 34 HD12 LEU 34 11.625 -5.467 -5.733 276 HD13 LEU 34 HD13 LEU 34 10.659 -5.794 -4.294 277 HD21 LEU 34 HD21 LEU 34 9.435 -2.653 -6.888 278 HD22 LEU 34 HD22 LEU 34 10.886 -3.567 -7.301 279 HD23 LEU 34 HD23 LEU 34 10.888 -2.491 -5.903 280 H TYR 35 H TYR 35 8.266 -5.879 -3.150 281 HA TYR 35 HA TYR 35 10.260 -7.860 -2.732 282 HB2 TYR 35 HB2 TYR 35 10.101 -5.901 -1.259 283 HB3 TYR 35 HB3 TYR 35 8.523 -6.445 -0.695 284 HD1 TYR 35 HD1 TYR 35 12.140 -7.170 -0.646 285 HD2 TYR 35 HD2 TYR 35 8.332 -8.183 0.948 286 HE1 TYR 35 HE1 TYR 35 13.230 -8.514 1.103 287 HE2 TYR 35 HE2 TYR 35 9.395 -9.518 2.693 288 HH TYR 35 HH TYR 35 12.745 -9.362 3.331 289 H LEU 36 H LEU 36 6.806 -7.690 -1.697 290 HA LEU 36 HA LEU 36 6.755 -10.333 -0.746 291 HB2 LEU 36 HB2 LEU 36 4.649 -8.329 -1.447 292 HB3 LEU 36 HB3 LEU 36 4.188 -9.988 -1.135 293 HG LEU 36 HG LEU 36 3.828 -8.813 0.873 294 HD11 LEU 36 HD11 LEU 36 6.476 -10.198 1.201 295 HD12 LEU 36 HD12 LEU 36 4.902 -10.987 1.154 296 HD13 LEU 36 HD13 LEU 36 5.288 -9.872 2.463 297 HD21 LEU 36 HD21 LEU 36 6.578 -7.650 0.521 298 HD22 LEU 36 HD22 LEU 36 5.633 -7.508 2.001 299 HD23 LEU 36 HD23 LEU 36 5.037 -6.795 0.503 300 H GLN 37 H GLN 37 6.240 -8.933 -3.901 301 HA GLN 37 HA GLN 37 5.022 -11.151 -5.117 302 HB2 GLN 37 HB2 GLN 37 5.206 -8.858 -6.118 303 HB3 GLN 37 HB3 GLN 37 6.898 -9.191 -6.455 304 HG2 GLN 37 HG2 GLN 37 6.336 -10.917 -7.995 305 HG3 GLN 37 HG3 GLN 37 4.639 -10.866 -7.514 306 HE21 GLN 37 HE21 GLN 37 3.334 -9.221 -8.265 307 HE22 GLN 37 HE22 GLN 37 3.790 -8.190 -9.574 308 H HIS 38 H HIS 38 8.403 -10.331 -4.539 309 HA HIS 38 HA HIS 38 9.572 -12.549 -5.884 310 HB2 HIS 38 HB2 HIS 38 10.831 -10.526 -5.125 311 HB3 HIS 38 HB3 HIS 38 10.629 -11.070 -3.463 312 HD1 HIS 38 HD1 HIS 38 12.527 -11.783 -6.587 313 HD2 HIS 38 HD2 HIS 38 12.217 -13.237 -2.720 314 HE1 HIS 38 HE1 HIS 38 14.448 -13.349 -6.313 315 HE2 HIS 38 HE2 HIS 38 14.098 -14.401 -4.052 316 H GLN 39 H GLN 39 8.643 -11.995 -2.515 317 HA GLN 39 HA GLN 39 9.238 -14.496 -1.458 318 HB2 GLN 39 HB2 GLN 39 7.008 -12.587 -0.749 319 HB3 GLN 39 HB3 GLN 39 7.373 -14.030 0.186 320 HG2 GLN 39 HG2 GLN 39 9.259 -11.730 -0.299 321 HG3 GLN 39 HG3 GLN 39 8.342 -12.019 1.178 322 HE21 GLN 39 HE21 GLN 39 11.214 -11.843 0.835 323 HE22 GLN 39 HE22 GLN 39 11.865 -13.347 1.381 324 H LEU 40 H LEU 40 6.234 -13.406 -3.023 325 HA LEU 40 HA LEU 40 4.685 -15.642 -2.908 326 HB2 LEU 40 HB2 LEU 40 3.797 -13.660 -3.835 327 HB3 LEU 40 HB3 LEU 40 5.042 -13.580 -5.063 328 HG LEU 40 HG LEU 40 4.046 -15.569 -6.163 329 HD11 LEU 40 HD11 LEU 40 1.832 -16.326 -5.522 330 HD12 LEU 40 HD12 LEU 40 1.836 -15.219 -4.150 331 HD13 LEU 40 HD13 LEU 40 2.977 -16.563 -4.202 332 HD21 LEU 40 HD21 LEU 40 2.162 -13.256 -5.731 333 HD22 LEU 40 HD22 LEU 40 2.097 -14.405 -7.067 334 HD23 LEU 40 HD23 LEU 40 3.478 -13.321 -6.902 335 H ASP 41 H ASP 41 7.174 -14.924 -5.394 336 HA ASP 41 HA ASP 41 6.829 -17.214 -6.919 337 HB2 ASP 41 HB2 ASP 41 8.192 -15.286 -7.619 338 HB3 ASP 41 HB3 ASP 41 9.389 -15.685 -6.390 339 H GLU 42 H GLU 42 8.762 -16.665 -4.043 340 HA GLU 42 HA GLU 42 10.046 -19.224 -4.050 341 HB2 GLU 42 HB2 GLU 42 10.863 -17.259 -2.729 342 HB3 GLU 42 HB3 GLU 42 9.484 -17.457 -1.657 343 HG2 GLU 42 HG2 GLU 42 10.280 -19.740 -1.136 344 HG3 GLU 42 HG3 GLU 42 11.713 -19.421 -2.110 345 H LEU 43 H LEU 43 7.239 -17.899 -2.531 346 HA LEU 43 HA LEU 43 6.380 -20.099 -1.021 347 HB2 LEU 43 HB2 LEU 43 5.360 -17.864 -0.842 348 HB3 LEU 43 HB3 LEU 43 4.602 -18.092 -2.405 349 HG LEU 43 HG LEU 43 3.369 -20.053 -1.430 350 HD11 LEU 43 HD11 LEU 43 4.837 -20.557 0.406 351 HD12 LEU 43 HD12 LEU 43 3.202 -20.234 0.977 352 HD13 LEU 43 HD13 LEU 43 4.457 -19.009 1.157 353 HD21 LEU 43 HD21 LEU 43 2.915 -17.368 -0.139 354 HD22 LEU 43 HD22 LEU 43 1.742 -18.682 -0.217 355 HD23 LEU 43 HD23 LEU 43 2.286 -17.898 -1.698 356 H ASN 44 H ASN 44 5.788 -19.378 -4.488 357 HA ASN 44 HA ASN 44 3.976 -21.405 -5.042 358 HB2 ASN 44 HB2 ASN 44 6.186 -20.365 -6.837 359 HB3 ASN 44 HB3 ASN 44 4.746 -21.215 -7.362 360 HD21 ASN 44 HD21 ASN 44 3.076 -19.712 -5.414 361 HD22 ASN 44 HD22 ASN 44 2.888 -18.143 -6.108 362 H GLU 45 H GLU 45 7.437 -21.478 -4.759 363 HA GLU 45 HA GLU 45 7.664 -24.197 -5.725 364 HB2 GLU 45 HB2 GLU 45 9.459 -22.517 -6.075 365 HB3 GLU 45 HB3 GLU 45 9.751 -22.508 -4.342 366 HG2 GLU 45 HG2 GLU 45 10.121 -25.039 -4.609 367 HG3 GLU 45 HG3 GLU 45 10.275 -24.683 -6.328 368 H ASN 46 H ASN 46 7.852 -22.573 -2.568 369 HA ASN 46 HA ASN 46 8.692 -24.961 -1.208 370 HB2 ASN 46 HB2 ASN 46 7.871 -22.224 -0.228 371 HB3 ASN 46 HB3 ASN 46 8.386 -23.524 0.837 372 HD21 ASN 46 HD21 ASN 46 10.110 -22.248 1.554 373 HD22 ASN 46 HD22 ASN 46 11.521 -21.998 0.592 374 H LYS 47 H LYS 47 5.735 -23.230 -1.697 375 HA LYS 47 HA LYS 47 3.498 -23.567 -1.014 376 HB2 LYS 47 HB2 LYS 47 4.450 -26.441 -0.868 377 HB3 LYS 47 HB3 LYS 47 2.767 -25.925 -0.826 378 HG2 LYS 47 HG2 LYS 47 4.621 -25.355 -3.127 379 HG3 LYS 47 HG3 LYS 47 3.572 -26.770 -3.039 380 HD2 LYS 47 HD2 LYS 47 1.606 -25.342 -2.952 381 HD3 LYS 47 HD3 LYS 47 2.616 -23.903 -2.911 382 HE2 LYS 47 HE2 LYS 47 1.648 -24.429 -5.157 383 HE3 LYS 47 HE3 LYS 47 3.403 -24.289 -5.128 384 HZ1 LYS 47 HZ1 LYS 47 3.576 -26.684 -5.119 385 HZ2 LYS 47 HZ2 LYS 47 2.640 -26.186 -6.432 386 HZ3 LYS 47 HZ3 LYS 47 1.895 -26.847 -5.075 387 H SER 48 H SER 48 5.631 -23.148 0.899 388 HA SER 48 HA SER 48 5.165 -24.645 3.286 389 HB2 SER 48 HB2 SER 48 6.480 -21.937 2.993 390 HB3 SER 48 HB3 SER 48 6.577 -22.982 4.410 391 HG SER 48 HG SER 48 7.403 -24.563 2.672 392 H LYS 49 H LYS 49 3.448 -24.565 4.518 393 HA LYS 49 HA LYS 49 1.404 -22.717 4.172 394 HB2 LYS 49 HB2 LYS 49 0.346 -23.760 6.108 395 HB3 LYS 49 HB3 LYS 49 1.057 -24.990 5.071 396 HG2 LYS 49 HG2 LYS 49 2.461 -23.944 7.506 397 HG3 LYS 49 HG3 LYS 49 1.321 -25.286 7.573 398 HD2 LYS 49 HD2 LYS 49 2.737 -26.398 5.787 399 HD3 LYS 49 HD3 LYS 49 3.937 -25.135 6.083 400 HE2 LYS 49 HE2 LYS 49 4.486 -27.119 7.351 401 HE3 LYS 49 HE3 LYS 49 4.038 -25.810 8.443 402 HZ1 LYS 49 HZ1 LYS 49 1.915 -26.794 8.800 403 HZ2 LYS 49 HZ2 LYS 49 3.049 -28.037 8.983 404 HZ3 LYS 49 HZ3 LYS 49 2.145 -27.910 7.555 405 H GLU 50 H GLU 50 3.933 -22.901 6.622 406 HA GLU 50 HA GLU 50 3.113 -20.659 8.120 407 HB2 GLU 50 HB2 GLU 50 5.473 -20.649 8.985 408 HB3 GLU 50 HB3 GLU 50 4.659 -22.200 9.115 409 HG2 GLU 50 HG2 GLU 50 5.817 -22.977 7.103 410 HG3 GLU 50 HG3 GLU 50 6.649 -21.429 6.988 411 H LEU 51 H LEU 51 5.099 -20.958 5.307 412 HA LEU 51 HA LEU 51 6.076 -18.277 5.263 413 HB2 LEU 51 HB2 LEU 51 7.122 -20.061 3.928 414 HB3 LEU 51 HB3 LEU 51 5.670 -20.179 2.954 415 HG LEU 51 HG LEU 51 6.053 -17.918 2.084 416 HD11 LEU 51 HD11 LEU 51 8.561 -17.995 3.748 417 HD12 LEU 51 HD12 LEU 51 7.177 -16.926 3.982 418 HD13 LEU 51 HD13 LEU 51 8.173 -16.776 2.536 419 HD21 LEU 51 HD21 LEU 51 8.471 -19.705 1.841 420 HD22 LEU 51 HD22 LEU 51 8.002 -18.427 0.719 421 HD23 LEU 51 HD23 LEU 51 6.982 -19.851 0.908 422 H GLN 52 H GLN 52 3.317 -19.901 3.787 423 HA GLN 52 HA GLN 52 2.226 -17.768 2.369 424 HB2 GLN 52 HB2 GLN 52 1.360 -19.975 2.044 425 HB3 GLN 52 HB3 GLN 52 0.918 -20.113 3.739 426 HG2 GLN 52 HG2 GLN 52 -0.683 -18.209 3.355 427 HG3 GLN 52 HG3 GLN 52 -0.360 -18.401 1.632 428 HE21 GLN 52 HE21 GLN 52 -1.713 -19.877 4.480 429 HE22 GLN 52 HE22 GLN 52 -2.667 -21.053 3.638 430 H GLU 53 H GLU 53 1.704 -18.764 5.747 431 HA GLU 53 HA GLU 53 -0.300 -16.928 6.349 432 HB2 GLU 53 HB2 GLU 53 1.751 -18.156 8.195 433 HB3 GLU 53 HB3 GLU 53 0.241 -17.408 8.690 434 HG2 GLU 53 HG2 GLU 53 0.526 -19.903 7.023 435 HG3 GLU 53 HG3 GLU 53 0.071 -19.830 8.723 436 H LYS 54 H LYS 54 3.225 -16.699 6.765 437 HA LYS 54 HA LYS 54 3.247 -14.130 7.948 438 HB2 LYS 54 HB2 LYS 54 5.377 -15.362 6.192 439 HB3 LYS 54 HB3 LYS 54 5.596 -13.960 7.224 440 HG2 LYS 54 HG2 LYS 54 4.814 -15.656 9.093 441 HG3 LYS 54 HG3 LYS 54 5.420 -16.837 7.928 442 HD2 LYS 54 HD2 LYS 54 6.952 -14.515 9.104 443 HD3 LYS 54 HD3 LYS 54 7.193 -16.222 9.470 444 HE2 LYS 54 HE2 LYS 54 7.501 -15.101 6.691 445 HE3 LYS 54 HE3 LYS 54 8.832 -15.135 7.844 446 HZ1 LYS 54 HZ1 LYS 54 8.738 -17.487 7.930 447 HZ2 LYS 54 HZ2 LYS 54 8.761 -17.054 6.302 448 HZ3 LYS 54 HZ3 LYS 54 7.314 -17.545 7.030 449 H ILE 55 H ILE 55 3.416 -15.166 4.629 450 HA ILE 55 HA ILE 55 3.860 -12.618 3.473 451 HB ILE 55 HB ILE 55 2.629 -15.093 2.243 452 HG12 ILE 55 HG12 ILE 55 5.368 -13.835 1.944 453 HG13 ILE 55 HG13 ILE 55 5.004 -15.246 2.930 454 HG21 ILE 55 HG21 ILE 55 3.460 -12.529 0.880 455 HG22 ILE 55 HG22 ILE 55 1.815 -13.143 1.032 456 HG23 ILE 55 HG23 ILE 55 2.997 -14.019 0.058 457 HD11 ILE 55 HD11 ILE 55 6.026 -15.847 0.800 458 HD12 ILE 55 HD12 ILE 55 4.693 -15.072 -0.057 459 HD13 ILE 55 HD13 ILE 55 4.392 -16.491 0.943 460 H ILE 56 H ILE 56 0.835 -14.434 3.956 461 HA ILE 56 HA ILE 56 -0.866 -12.462 2.887 462 HB ILE 56 HB ILE 56 -1.456 -14.596 4.951 463 HG12 ILE 56 HG12 ILE 56 -1.955 -14.490 1.969 464 HG13 ILE 56 HG13 ILE 56 -0.723 -15.456 2.771 465 HG21 ILE 56 HG21 ILE 56 -3.105 -12.803 5.103 466 HG22 ILE 56 HG22 ILE 56 -3.823 -14.257 4.410 467 HG23 ILE 56 HG23 ILE 56 -3.390 -12.903 3.364 468 HD11 ILE 56 HD11 ILE 56 -2.465 -16.748 3.888 469 HD12 ILE 56 HD12 ILE 56 -2.641 -16.802 2.133 470 HD13 ILE 56 HD13 ILE 56 -3.700 -15.770 3.093 471 H ARG 57 H ARG 57 0.336 -12.968 6.194 472 HA ARG 57 HA ARG 57 -1.373 -10.997 7.329 473 HB2 ARG 57 HB2 ARG 57 0.871 -12.653 8.303 474 HB3 ARG 57 HB3 ARG 57 0.588 -11.146 9.164 475 HG2 ARG 57 HG2 ARG 57 -0.581 -13.022 10.205 476 HG3 ARG 57 HG3 ARG 57 -1.707 -11.801 9.610 477 HD2 ARG 57 HD2 ARG 57 -2.107 -13.149 7.616 478 HD3 ARG 57 HD3 ARG 57 -0.974 -14.360 8.206 479 HE ARG 57 HE ARG 57 -3.347 -13.683 9.793 480 HH11 ARG 57 HH11 ARG 57 -1.489 -15.974 7.947 481 HH12 ARG 57 HH12 ARG 57 -2.443 -17.345 8.402 482 HH21 ARG 57 HH21 ARG 57 -4.649 -15.478 10.406 483 HH22 ARG 57 HH22 ARG 57 -4.268 -17.052 9.794 484 H GLU 58 H GLU 58 2.017 -10.898 6.185 485 HA GLU 58 HA GLU 58 2.334 -8.227 7.066 486 HB2 GLU 58 HB2 GLU 58 4.238 -9.749 6.750 487 HB3 GLU 58 HB3 GLU 58 3.927 -9.765 5.019 488 HG2 GLU 58 HG2 GLU 58 4.460 -7.454 4.835 489 HG3 GLU 58 HG3 GLU 58 4.563 -7.289 6.588 490 H LEU 59 H LEU 59 1.336 -9.761 4.056 491 HA LEU 59 HA LEU 59 1.408 -7.459 2.432 492 HB2 LEU 59 HB2 LEU 59 1.206 -9.756 1.557 493 HB3 LEU 59 HB3 LEU 59 -0.391 -9.880 2.259 494 HG LEU 59 HG LEU 59 -1.181 -8.093 0.748 495 HD11 LEU 59 HD11 LEU 59 0.232 -7.411 -1.135 496 HD12 LEU 59 HD12 LEU 59 1.583 -8.304 -0.438 497 HD13 LEU 59 HD13 LEU 59 0.915 -6.909 0.412 498 HD21 LEU 59 HD21 LEU 59 0.151 -10.421 -0.628 499 HD22 LEU 59 HD22 LEU 59 -1.150 -9.433 -1.292 500 HD23 LEU 59 HD23 LEU 59 -1.441 -10.433 0.131 501 H ASP 60 H ASP 60 -1.110 -8.923 4.427 502 HA ASP 60 HA ASP 60 -3.157 -7.110 3.786 503 HB2 ASP 60 HB2 ASP 60 -3.541 -9.328 4.803 504 HB3 ASP 60 HB3 ASP 60 -2.842 -8.738 6.307 505 H VAL 61 H VAL 61 -0.853 -7.137 6.529 506 HA VAL 61 HA VAL 61 -2.022 -4.898 7.799 507 HB VAL 61 HB VAL 61 -0.503 -6.471 8.991 508 HG11 VAL 61 HG11 VAL 61 1.191 -6.707 7.247 509 HG12 VAL 61 HG12 VAL 61 1.896 -6.273 8.805 510 HG13 VAL 61 HG13 VAL 61 1.720 -5.052 7.543 511 HG21 VAL 61 HG21 VAL 61 -1.006 -4.315 9.977 512 HG22 VAL 61 HG22 VAL 61 0.329 -3.575 9.092 513 HG23 VAL 61 HG23 VAL 61 0.657 -4.780 10.339 514 H VAL 62 H VAL 62 0.530 -5.167 5.376 515 HA VAL 62 HA VAL 62 1.151 -2.381 5.383 516 HB VAL 62 HB VAL 62 1.689 -4.495 3.277 517 HG11 VAL 62 HG11 VAL 62 1.665 -2.241 2.304 518 HG12 VAL 62 HG12 VAL 62 3.293 -2.918 2.326 519 HG13 VAL 62 HG13 VAL 62 2.826 -1.707 3.520 520 HG21 VAL 62 HG21 VAL 62 2.824 -4.923 5.391 521 HG22 VAL 62 HG22 VAL 62 3.478 -3.284 5.387 522 HG23 VAL 62 HG23 VAL 62 3.981 -4.436 4.151 523 H CYS 63 H CYS 63 -1.057 -4.445 3.597 524 HA CYS 63 HA CYS 63 -1.855 -2.495 1.708 525 HB2 CYS 63 HB2 CYS 63 -2.352 -4.923 1.459 526 HB3 CYS 63 HB3 CYS 63 -3.492 -4.802 2.794 527 HG CYS 63 HG CYS 63 -4.711 -2.575 1.063 528 H ALA 64 H ALA 64 -2.907 -3.310 4.940 529 HA ALA 64 HA ALA 64 -5.236 -1.690 5.013 530 HB1 ALA 64 HB1 ALA 64 -3.524 -2.639 7.301 531 HB2 ALA 64 HB2 ALA 64 -4.822 -3.570 6.549 532 HB3 ALA 64 HB3 ALA 64 -5.191 -2.071 7.408 533 H MET 65 H MET 65 -1.883 -1.145 6.093 534 HA MET 65 HA MET 65 -2.433 1.429 7.151 535 HB2 MET 65 HB2 MET 65 -0.067 1.719 7.381 536 HB3 MET 65 HB3 MET 65 -0.432 0.036 7.738 537 HG2 MET 65 HG2 MET 65 0.320 -0.606 5.524 538 HG3 MET 65 HG3 MET 65 0.663 1.076 5.144 539 HE1 MET 65 HE1 MET 65 1.634 -2.035 7.223 540 HE2 MET 65 HE2 MET 65 1.304 -0.882 8.514 541 HE3 MET 65 HE3 MET 65 2.953 -1.450 8.239 542 H ILE 66 H ILE 66 -1.401 0.271 3.995 543 HA ILE 66 HA ILE 66 -1.006 2.831 2.857 544 HB ILE 66 HB ILE 66 -1.167 0.053 1.831 545 HG12 ILE 66 HG12 ILE 66 0.805 0.795 0.519 546 HG13 ILE 66 HG13 ILE 66 0.566 2.430 1.117 547 HG21 ILE 66 HG21 ILE 66 -1.387 0.713 -0.519 548 HG22 ILE 66 HG22 ILE 66 -1.752 2.364 -0.018 549 HG23 ILE 66 HG23 ILE 66 -2.852 1.050 0.402 550 HD11 ILE 66 HD11 ILE 66 2.377 1.180 2.272 551 HD12 ILE 66 HD12 ILE 66 1.161 0.053 2.882 552 HD13 ILE 66 HD13 ILE 66 1.107 1.750 3.352 553 H GLU 67 H GLU 67 -3.824 0.684 3.071 554 HA GLU 67 HA GLU 67 -5.590 2.210 1.492 555 HB2 GLU 67 HB2 GLU 67 -6.007 0.257 3.748 556 HB3 GLU 67 HB3 GLU 67 -7.360 1.060 2.969 557 HG2 GLU 67 HG2 GLU 67 -5.341 -0.524 1.418 558 HG3 GLU 67 HG3 GLU 67 -6.751 -1.271 2.169 559 H GLY 68 H GLY 68 -4.690 2.318 4.879 560 HA2 GLY 68 HA2 GLY 68 -6.654 4.158 5.743 561 HA3 GLY 68 HA3 GLY 68 -5.134 3.810 6.554 562 H ALA 69 H ALA 69 -3.318 4.570 4.657 563 HA ALA 69 HA ALA 69 -3.247 7.377 5.004 564 HB1 ALA 69 HB1 ALA 69 -1.211 6.021 4.855 565 HB2 ALA 69 HB2 ALA 69 -1.218 7.310 3.650 566 HB3 ALA 69 HB3 ALA 69 -1.584 5.652 3.170 567 H GLN 70 H GLN 70 -4.097 5.283 2.285 568 HA GLN 70 HA GLN 70 -4.284 7.308 0.312 569 HB2 GLN 70 HB2 GLN 70 -5.293 4.526 0.595 570 HB3 GLN 70 HB3 GLN 70 -6.091 5.548 -0.593 571 HG2 GLN 70 HG2 GLN 70 -3.123 5.073 -0.510 572 HG3 GLN 70 HG3 GLN 70 -4.252 4.116 -1.473 573 HE21 GLN 70 HE21 GLN 70 -5.283 5.071 -3.233 574 HE22 GLN 70 HE22 GLN 70 -4.723 6.543 -3.942 575 H GLY 71 H GLY 71 -6.583 5.959 2.572 576 HA2 GLY 71 HA2 GLY 71 -8.883 7.356 1.643 577 HA3 GLY 71 HA3 GLY 71 -8.702 6.651 3.245 578 H ALA 72 H ALA 72 -6.510 8.077 4.137 579 HA ALA 72 HA ALA 72 -7.805 10.419 5.113 580 HB1 ALA 72 HB1 ALA 72 -5.710 10.823 6.308 581 HB2 ALA 72 HB2 ALA 72 -4.925 9.551 5.373 582 HB3 ALA 72 HB3 ALA 72 -6.229 9.148 6.489 583 H LEU 73 H LEU 73 -4.888 9.900 3.138 584 HA LEU 73 HA LEU 73 -4.278 12.483 2.481 585 HB2 LEU 73 HB2 LEU 73 -3.979 9.937 0.939 586 HB3 LEU 73 HB3 LEU 73 -3.441 11.466 0.278 587 HG LEU 73 HG LEU 73 -2.432 10.212 2.827 588 HD11 LEU 73 HD11 LEU 73 -1.732 9.001 0.838 589 HD12 LEU 73 HD12 LEU 73 -0.371 9.881 1.540 590 HD13 LEU 73 HD13 LEU 73 -1.183 10.505 0.102 591 HD21 LEU 73 HD21 LEU 73 -2.351 12.619 2.962 592 HD22 LEU 73 HD22 LEU 73 -1.647 12.719 1.352 593 HD23 LEU 73 HD23 LEU 73 -0.720 12.005 2.677 594 H GLU 74 H GLU 74 -6.355 10.288 0.587 595 HA GLU 74 HA GLU 74 -6.857 12.058 -1.442 596 HB2 GLU 74 HB2 GLU 74 -8.306 9.684 -0.406 597 HB3 GLU 74 HB3 GLU 74 -9.137 10.715 -1.560 598 HG2 GLU 74 HG2 GLU 74 -6.891 10.452 -2.902 599 HG3 GLU 74 HG3 GLU 74 -6.760 8.984 -1.929 600 H ARG 75 H ARG 75 -8.751 11.590 1.525 601 HA ARG 75 HA ARG 75 -10.803 13.406 0.932 602 HB2 ARG 75 HB2 ARG 75 -10.759 11.809 2.870 603 HB3 ARG 75 HB3 ARG 75 -9.636 12.899 3.671 604 HG2 ARG 75 HG2 ARG 75 -11.432 14.689 3.360 605 HG3 ARG 75 HG3 ARG 75 -12.521 13.349 3.000 606 HD2 ARG 75 HD2 ARG 75 -12.758 13.806 5.305 607 HD3 ARG 75 HD3 ARG 75 -11.798 12.332 5.188 608 HE ARG 75 HE ARG 75 -10.106 14.607 5.312 609 HH11 ARG 75 HH11 ARG 75 -12.161 12.614 7.358 610 HH12 ARG 75 HH12 ARG 75 -11.301 12.994 8.804 611 HH21 ARG 75 HH21 ARG 75 -8.996 15.120 7.192 612 HH22 ARG 75 HH22 ARG 75 -9.482 14.442 8.719 613 H GLU 76 H GLU 76 -7.658 13.925 2.460 614 HA GLU 76 HA GLU 76 -8.130 16.675 3.049 615 HB2 GLU 76 HB2 GLU 76 -5.507 15.184 2.862 616 HB3 GLU 76 HB3 GLU 76 -5.739 16.764 3.587 617 HG2 GLU 76 HG2 GLU 76 -6.994 14.209 4.566 618 HG3 GLU 76 HG3 GLU 76 -5.551 14.959 5.241 619 H LEU 77 H LEU 77 -5.927 15.105 0.609 620 HA LEU 77 HA LEU 77 -5.256 17.496 -0.572 621 HB2 LEU 77 HB2 LEU 77 -4.367 16.129 -2.421 622 HB3 LEU 77 HB3 LEU 77 -3.849 15.595 -0.843 623 HG LEU 77 HG LEU 77 -5.698 13.816 -1.049 624 HD11 LEU 77 HD11 LEU 77 -5.451 14.617 -3.941 625 HD12 LEU 77 HD12 LEU 77 -6.895 14.733 -2.931 626 HD13 LEU 77 HD13 LEU 77 -6.235 13.154 -3.345 627 HD21 LEU 77 HD21 LEU 77 -3.287 13.714 -2.853 628 HD22 LEU 77 HD22 LEU 77 -4.209 12.326 -2.271 629 HD23 LEU 77 HD23 LEU 77 -3.316 13.331 -1.131 630 H LYS 78 H LYS 78 -8.200 15.671 -1.009 631 HA LYS 78 HA LYS 78 -8.668 16.457 -3.698 632 HB2 LYS 78 HB2 LYS 78 -9.967 14.884 -1.697 633 HB3 LYS 78 HB3 LYS 78 -11.128 16.028 -2.368 634 HG2 LYS 78 HG2 LYS 78 -11.188 13.928 -3.604 635 HG3 LYS 78 HG3 LYS 78 -10.601 15.235 -4.630 636 HD2 LYS 78 HD2 LYS 78 -8.297 14.492 -4.221 637 HD3 LYS 78 HD3 LYS 78 -8.913 13.152 -3.252 638 HE2 LYS 78 HE2 LYS 78 -9.639 13.611 -6.142 639 HE3 LYS 78 HE3 LYS 78 -8.291 12.601 -5.632 640 HZ1 LYS 78 HZ1 LYS 78 -9.768 11.097 -4.561 641 HZ2 LYS 78 HZ2 LYS 78 -10.410 11.394 -6.098 642 HZ3 LYS 78 HZ3 LYS 78 -11.085 12.145 -4.747 643 H ARG 79 H ARG 79 -9.067 17.889 -0.609 644 HA ARG 79 HA ARG 79 -11.038 19.807 -1.108 645 HB2 ARG 79 HB2 ARG 79 -10.295 19.279 1.127 646 HB3 ARG 79 HB3 ARG 79 -8.668 19.823 0.757 647 HG2 ARG 79 HG2 ARG 79 -9.576 22.119 0.449 648 HG3 ARG 79 HG3 ARG 79 -11.141 21.519 1.011 649 HD2 ARG 79 HD2 ARG 79 -9.870 22.562 2.828 650 HD3 ARG 79 HD3 ARG 79 -10.142 20.845 3.118 651 HE ARG 79 HE ARG 79 -7.617 21.515 1.857 652 HH11 ARG 79 HH11 ARG 79 -9.289 20.844 4.868 653 HH12 ARG 79 HH12 ARG 79 -7.849 20.445 5.732 654 HH21 ARG 79 HH21 ARG 79 -5.713 20.973 2.986 655 HH22 ARG 79 HH22 ARG 79 -5.797 20.520 4.657 656 H THR 80 H THR 80 -7.665 19.698 -1.943 657 HA THR 80 HA THR 80 -7.243 22.456 -2.377 658 HB THR 80 HB THR 80 -5.807 20.155 -3.697 659 HG1 THR 80 HG1 THR 80 -4.391 20.399 -1.844 660 HG21 THR 80 HG21 THR 80 -5.308 22.409 -4.586 661 HG22 THR 80 HG22 THR 80 -3.923 21.685 -3.772 662 HG23 THR 80 HG23 THR 80 -4.868 22.930 -2.958 663 H ASP 81 H ASP 81 -7.533 23.688 -4.092 664 HA ASP 81 HA ASP 81 -8.331 22.509 -6.643 665 HB2 ASP 81 HB2 ASP 81 -10.268 23.948 -6.914 666 HB3 ASP 81 HB3 ASP 81 -10.443 22.981 -5.457 667 H LEU 82 H LEU 82 -8.662 24.300 -8.286 668 HA LEU 82 HA LEU 82 -7.727 25.838 -9.636 669 HB2 LEU 82 HB2 LEU 82 -8.441 27.180 -7.434 670 HB3 LEU 82 HB3 LEU 82 -6.717 27.482 -7.388 671 HG LEU 82 HG LEU 82 -8.602 28.224 -9.631 672 HD11 LEU 82 HD11 LEU 82 -8.848 29.632 -7.689 673 HD12 LEU 82 HD12 LEU 82 -8.054 30.517 -8.991 674 HD13 LEU 82 HD13 LEU 82 -7.108 29.904 -7.636 675 HD21 LEU 82 HD21 LEU 82 -6.686 29.370 -10.630 676 HD22 LEU 82 HD22 LEU 82 -6.418 27.630 -10.527 677 HD23 LEU 82 HD23 LEU 82 -5.638 28.712 -9.373 678 H ASN 83 H ASN 83 -6.148 24.103 -10.093 679 HA ASN 83 HA ASN 83 -3.676 25.260 -10.577 680 HB2 ASN 83 HB2 ASN 83 -3.460 24.772 -8.067 681 HB3 ASN 83 HB3 ASN 83 -3.364 23.075 -8.546 682 HD21 ASN 83 HD21 ASN 83 -1.742 26.109 -8.522 683 HD22 ASN 83 HD22 ASN 83 -0.231 25.538 -9.130 684 H ILE 84 H ILE 84 -3.682 24.467 -12.512 685 HA ILE 84 HA ILE 84 -4.650 22.020 -13.396 686 HB ILE 84 HB ILE 84 -2.437 23.653 -14.650 687 HG12 ILE 84 HG12 ILE 84 -5.412 23.656 -15.190 688 HG13 ILE 84 HG13 ILE 84 -4.573 24.865 -14.226 689 HG21 ILE 84 HG21 ILE 84 -4.227 21.536 -15.842 690 HG22 ILE 84 HG22 ILE 84 -2.489 21.405 -15.579 691 HG23 ILE 84 HG23 ILE 84 -3.119 22.561 -16.754 692 HD11 ILE 84 HD11 ILE 84 -3.300 25.554 -16.161 693 HD12 ILE 84 HD12 ILE 84 -5.030 25.627 -16.502 694 HD13 ILE 84 HD13 ILE 84 -4.061 24.295 -17.132 695 H LEU 85 H LEU 85 -1.485 22.762 -12.037 696 HA LEU 85 HA LEU 85 -0.228 20.363 -12.935 697 HB2 LEU 85 HB2 LEU 85 0.916 22.543 -12.352 698 HB3 LEU 85 HB3 LEU 85 0.557 22.210 -10.673 699 HG LEU 85 HG LEU 85 2.926 21.722 -11.453 700 HD11 LEU 85 HD11 LEU 85 3.134 19.668 -10.149 701 HD12 LEU 85 HD12 LEU 85 1.383 19.460 -10.198 702 HD13 LEU 85 HD13 LEU 85 2.083 20.844 -9.358 703 HD21 LEU 85 HD21 LEU 85 1.583 19.362 -12.769 704 HD22 LEU 85 HD22 LEU 85 3.320 19.605 -12.601 705 HD23 LEU 85 HD23 LEU 85 2.371 20.704 -13.600 706 H GLU 86 H GLU 86 -1.505 21.521 -9.820 707 HA GLU 86 HA GLU 86 -1.004 19.190 -8.370 708 HB2 GLU 86 HB2 GLU 86 -3.168 21.254 -7.938 709 HB3 GLU 86 HB3 GLU 86 -2.721 20.011 -6.777 710 HG2 GLU 86 HG2 GLU 86 -0.398 20.953 -6.788 711 HG3 GLU 86 HG3 GLU 86 -1.013 22.282 -7.764 712 H ARG 87 H ARG 87 -3.976 20.086 -10.244 713 HA ARG 87 HA ARG 87 -5.386 17.829 -9.423 714 HB2 ARG 87 HB2 ARG 87 -6.895 18.253 -11.259 715 HB3 ARG 87 HB3 ARG 87 -6.450 19.775 -10.509 716 HG2 ARG 87 HG2 ARG 87 -4.914 20.247 -12.327 717 HG3 ARG 87 HG3 ARG 87 -5.284 18.688 -13.065 718 HD2 ARG 87 HD2 ARG 87 -7.178 20.997 -12.649 719 HD3 ARG 87 HD3 ARG 87 -6.542 20.413 -14.185 720 HE ARG 87 HE ARG 87 -8.180 18.644 -12.511 721 HH11 ARG 87 HH11 ARG 87 -7.776 20.424 -15.521 722 HH12 ARG 87 HH12 ARG 87 -9.102 19.637 -16.296 723 HH21 ARG 87 HH21 ARG 87 -9.918 17.626 -13.533 724 HH22 ARG 87 HH22 ARG 87 -10.331 18.032 -15.162 725 H PHE 88 H PHE 88 -3.139 18.319 -12.097 726 HA PHE 88 HA PHE 88 -3.569 15.820 -13.351 727 HB2 PHE 88 HB2 PHE 88 -2.518 17.623 -14.571 728 HB3 PHE 88 HB3 PHE 88 -1.205 17.707 -13.403 729 HD1 PHE 88 HD1 PHE 88 -2.795 15.356 -15.814 730 HD2 PHE 88 HD2 PHE 88 0.760 16.592 -13.833 731 HE1 PHE 88 HE1 PHE 88 -1.494 13.768 -17.169 732 HE2 PHE 88 HE2 PHE 88 2.069 15.006 -15.185 733 HZ PHE 88 HZ PHE 88 0.942 13.592 -16.857 734 H ASN 89 H ASN 89 -1.302 16.939 -10.940 735 HA ASN 89 HA ASN 89 0.193 14.539 -10.730 736 HB2 ASN 89 HB2 ASN 89 -0.155 16.902 -8.922 737 HB3 ASN 89 HB3 ASN 89 0.642 15.459 -8.308 738 HD21 ASN 89 HD21 ASN 89 2.606 16.492 -8.088 739 HD22 ASN 89 HD22 ASN 89 3.587 16.918 -9.444 740 H TYR 90 H TYR 90 -2.613 15.727 -8.958 741 HA TYR 90 HA TYR 90 -3.060 13.636 -7.195 742 HB2 TYR 90 HB2 TYR 90 -4.975 15.355 -8.761 743 HB3 TYR 90 HB3 TYR 90 -5.534 14.173 -7.592 744 HD1 TYR 90 HD1 TYR 90 -2.450 15.644 -6.568 745 HD2 TYR 90 HD2 TYR 90 -6.643 16.292 -6.719 746 HE1 TYR 90 HE1 TYR 90 -2.248 17.307 -4.787 747 HE2 TYR 90 HE2 TYR 90 -6.458 17.957 -4.945 748 HH TYR 90 HH TYR 90 -4.999 18.565 -3.176 749 H GLU 91 H GLU 91 -4.316 13.980 -10.484 750 HA GLU 91 HA GLU 91 -5.601 11.515 -10.668 751 HB2 GLU 91 HB2 GLU 91 -5.969 13.410 -12.189 752 HB3 GLU 91 HB3 GLU 91 -4.365 13.171 -12.866 753 HG2 GLU 91 HG2 GLU 91 -5.009 10.994 -13.700 754 HG3 GLU 91 HG3 GLU 91 -6.601 11.163 -12.961 755 H GLU 92 H GLU 92 -2.259 12.437 -11.397 756 HA GLU 92 HA GLU 92 -1.560 9.991 -12.667 757 HB2 GLU 92 HB2 GLU 92 -0.453 12.249 -12.975 758 HB3 GLU 92 HB3 GLU 92 0.264 12.042 -11.389 759 HG2 GLU 92 HG2 GLU 92 0.703 9.977 -13.501 760 HG3 GLU 92 HG3 GLU 92 1.618 11.479 -13.535 761 H ALA 93 H ALA 93 -1.136 11.293 -9.372 762 HA ALA 93 HA ALA 93 0.396 9.158 -8.373 763 HB1 ALA 93 HB1 ALA 93 -0.248 10.019 -6.166 764 HB2 ALA 93 HB2 ALA 93 -1.480 11.034 -6.916 765 HB3 ALA 93 HB3 ALA 93 0.226 11.335 -7.241 766 H GLN 94 H GLN 94 -3.072 9.867 -8.341 767 HA GLN 94 HA GLN 94 -3.985 7.621 -6.970 768 HB2 GLN 94 HB2 GLN 94 -5.352 9.614 -7.558 769 HB3 GLN 94 HB3 GLN 94 -5.368 9.083 -9.230 770 HG2 GLN 94 HG2 GLN 94 -7.448 8.489 -8.233 771 HG3 GLN 94 HG3 GLN 94 -6.529 7.011 -8.503 772 HE21 GLN 94 HE21 GLN 94 -8.723 7.635 -6.629 773 HE22 GLN 94 HE22 GLN 94 -8.107 7.279 -5.048 774 H THR 95 H THR 95 -3.234 8.105 -10.353 775 HA THR 95 HA THR 95 -4.166 5.709 -11.413 776 HB THR 95 HB THR 95 -1.683 7.224 -12.266 777 HG1 THR 95 HG1 THR 95 -3.734 8.391 -12.350 778 HG21 THR 95 HG21 THR 95 -1.950 6.076 -14.414 779 HG22 THR 95 HG22 THR 95 -3.340 5.195 -13.784 780 HG23 THR 95 HG23 THR 95 -1.740 4.899 -13.116 781 H LEU 96 H LEU 96 -0.968 6.433 -9.945 782 HA LEU 96 HA LEU 96 -0.046 3.773 -10.357 783 HB2 LEU 96 HB2 LEU 96 1.015 5.990 -8.618 784 HB3 LEU 96 HB3 LEU 96 1.817 4.451 -8.855 785 HG LEU 96 HG LEU 96 1.277 6.512 -10.990 786 HD11 LEU 96 HD11 LEU 96 3.034 7.163 -9.443 787 HD12 LEU 96 HD12 LEU 96 3.699 6.759 -11.026 788 HD13 LEU 96 HD13 LEU 96 3.842 5.616 -9.690 789 HD21 LEU 96 HD21 LEU 96 1.149 4.274 -11.917 790 HD22 LEU 96 HD22 LEU 96 2.676 3.843 -11.148 791 HD23 LEU 96 HD23 LEU 96 2.643 5.056 -12.426 792 H SER 97 H SER 97 -1.423 5.555 -7.640 793 HA SER 97 HA SER 97 -1.068 3.709 -5.625 794 HB2 SER 97 HB2 SER 97 -3.444 5.520 -6.085 795 HB3 SER 97 HB3 SER 97 -3.043 4.731 -4.560 796 HG SER 97 HG SER 97 -2.107 6.665 -4.358 797 H LYS 98 H LYS 98 -3.886 3.969 -7.835 798 HA LYS 98 HA LYS 98 -5.230 1.727 -6.890 799 HB2 LYS 98 HB2 LYS 98 -5.259 3.071 -9.580 800 HB3 LYS 98 HB3 LYS 98 -6.334 1.744 -9.167 801 HG2 LYS 98 HG2 LYS 98 -7.231 3.085 -7.313 802 HG3 LYS 98 HG3 LYS 98 -6.193 4.423 -7.809 803 HD2 LYS 98 HD2 LYS 98 -7.310 4.566 -9.938 804 HD3 LYS 98 HD3 LYS 98 -8.256 3.121 -9.580 805 HE2 LYS 98 HE2 LYS 98 -8.380 5.729 -8.076 806 HE3 LYS 98 HE3 LYS 98 -9.562 5.167 -9.256 807 HZ1 LYS 98 HZ1 LYS 98 -10.319 4.730 -7.026 808 HZ2 LYS 98 HZ2 LYS 98 -8.918 3.862 -6.670 809 HZ3 LYS 98 HZ3 LYS 98 -10.011 3.263 -7.804 810 H ILE 99 H ILE 99 -2.813 2.029 -9.480 811 HA ILE 99 HA ILE 99 -2.976 -0.606 -10.380 812 HB ILE 99 HB ILE 99 -0.975 1.572 -10.641 813 HG12 ILE 99 HG12 ILE 99 -1.152 1.016 -13.019 814 HG13 ILE 99 HG13 ILE 99 -2.069 -0.434 -12.634 815 HG21 ILE 99 HG21 ILE 99 -0.190 -1.293 -11.166 816 HG22 ILE 99 HG22 ILE 99 0.513 -0.225 -9.952 817 HG23 ILE 99 HG23 ILE 99 0.728 0.127 -11.667 818 HD11 ILE 99 HD11 ILE 99 -3.886 0.963 -11.772 819 HD12 ILE 99 HD12 ILE 99 -3.512 1.332 -13.455 820 HD13 ILE 99 HD13 ILE 99 -2.957 2.408 -12.175 821 H LEU 100 H LEU 100 -1.034 0.850 -7.809 822 HA LEU 100 HA LEU 100 0.443 -1.443 -7.112 823 HB2 LEU 100 HB2 LEU 100 -0.379 0.913 -5.420 824 HB3 LEU 100 HB3 LEU 100 0.792 -0.295 -4.934 825 HG LEU 100 HG LEU 100 1.090 1.589 -7.275 826 HD11 LEU 100 HD11 LEU 100 1.244 2.733 -5.137 827 HD12 LEU 100 HD12 LEU 100 2.823 2.644 -5.919 828 HD13 LEU 100 HD13 LEU 100 2.438 1.558 -4.582 829 HD21 LEU 100 HD21 LEU 100 2.223 -0.515 -7.694 830 HD22 LEU 100 HD22 LEU 100 2.987 -0.447 -6.107 831 HD23 LEU 100 HD23 LEU 100 3.404 0.744 -7.339 832 H LEU 101 H LEU 101 -2.584 -0.133 -5.818 833 HA LEU 101 HA LEU 101 -3.041 -2.045 -3.828 834 HB2 LEU 101 HB2 LEU 101 -5.018 -0.489 -5.495 835 HB3 LEU 101 HB3 LEU 101 -5.445 -1.413 -4.071 836 HG LEU 101 HG LEU 101 -3.610 0.989 -4.100 837 HD11 LEU 101 HD11 LEU 101 -5.429 2.122 -2.947 838 HD12 LEU 101 HD12 LEU 101 -6.446 0.694 -3.134 839 HD13 LEU 101 HD13 LEU 101 -5.919 1.593 -4.556 840 HD21 LEU 101 HD21 LEU 101 -4.702 -0.657 -1.821 841 HD22 LEU 101 HD22 LEU 101 -3.780 0.837 -1.660 842 HD23 LEU 101 HD23 LEU 101 -3.021 -0.599 -2.349 843 H LYS 102 H LYS 102 -4.062 -1.988 -7.240 844 HA LYS 102 HA LYS 102 -5.412 -4.403 -7.322 845 HB2 LYS 102 HB2 LYS 102 -5.433 -2.862 -9.184 846 HB3 LYS 102 HB3 LYS 102 -3.696 -3.019 -9.385 847 HG2 LYS 102 HG2 LYS 102 -3.978 -5.345 -10.067 848 HG3 LYS 102 HG3 LYS 102 -5.723 -5.194 -9.846 849 HD2 LYS 102 HD2 LYS 102 -5.116 -4.961 -12.201 850 HD3 LYS 102 HD3 LYS 102 -5.797 -3.464 -11.572 851 HE2 LYS 102 HE2 LYS 102 -3.858 -3.020 -12.987 852 HE3 LYS 102 HE3 LYS 102 -3.548 -2.531 -11.327 853 HZ1 LYS 102 HZ1 LYS 102 -1.719 -3.766 -12.499 854 HZ2 LYS 102 HZ2 LYS 102 -2.664 -5.159 -12.391 855 HZ3 LYS 102 HZ3 LYS 102 -2.137 -4.374 -10.987 856 H ASP 103 H ASP 103 -1.958 -3.773 -8.028 857 HA ASP 103 HA ASP 103 -1.214 -6.401 -8.454 858 HB2 ASP 103 HB2 ASP 103 0.283 -3.950 -7.633 859 HB3 ASP 103 HB3 ASP 103 1.105 -5.507 -7.636 860 H LEU 104 H LEU 104 -1.491 -4.667 -5.268 861 HA LEU 104 HA LEU 104 -0.268 -6.662 -3.770 862 HB2 LEU 104 HB2 LEU 104 -2.478 -4.716 -3.085 863 HB3 LEU 104 HB3 LEU 104 -1.618 -5.691 -1.911 864 HG LEU 104 HG LEU 104 -0.357 -3.573 -3.655 865 HD11 LEU 104 HD11 LEU 104 -1.087 -3.523 -0.730 866 HD12 LEU 104 HD12 LEU 104 -1.885 -2.615 -2.011 867 HD13 LEU 104 HD13 LEU 104 -0.206 -2.268 -1.599 868 HD21 LEU 104 HD21 LEU 104 1.583 -3.868 -2.222 869 HD22 LEU 104 HD22 LEU 104 1.172 -5.382 -3.027 870 HD23 LEU 104 HD23 LEU 104 0.751 -5.142 -1.333 871 H LYS 105 H LYS 105 -3.684 -6.081 -4.568 872 HA LYS 105 HA LYS 105 -4.676 -8.380 -3.291 873 HB2 LYS 105 HB2 LYS 105 -5.749 -6.459 -5.281 874 HB3 LYS 105 HB3 LYS 105 -6.567 -8.005 -5.147 875 HG2 LYS 105 HG2 LYS 105 -7.664 -6.342 -3.757 876 HG3 LYS 105 HG3 LYS 105 -6.949 -7.599 -2.754 877 HD2 LYS 105 HD2 LYS 105 -5.310 -5.175 -3.281 878 HD3 LYS 105 HD3 LYS 105 -6.695 -4.997 -2.205 879 HE2 LYS 105 HE2 LYS 105 -4.472 -7.023 -1.865 880 HE3 LYS 105 HE3 LYS 105 -4.596 -5.500 -0.994 881 HZ1 LYS 105 HZ1 LYS 105 -6.454 -7.817 -0.814 882 HZ2 LYS 105 HZ2 LYS 105 -6.766 -6.308 -0.125 883 HZ3 LYS 105 HZ3 LYS 105 -5.445 -7.212 0.398 884 H GLU 106 H GLU 106 -3.308 -7.928 -6.500 885 HA GLU 106 HA GLU 106 -4.083 -10.394 -7.618 886 HB2 GLU 106 HB2 GLU 106 -1.827 -8.483 -8.090 887 HB3 GLU 106 HB3 GLU 106 -1.774 -10.066 -8.845 888 HG2 GLU 106 HG2 GLU 106 -3.981 -8.050 -9.187 889 HG3 GLU 106 HG3 GLU 106 -2.660 -8.348 -10.320 890 H THR 107 H THR 107 -1.382 -9.399 -5.673 891 HA THR 107 HA THR 107 0.022 -11.860 -5.654 892 HB THR 107 HB THR 107 0.034 -9.718 -3.506 893 HG1 THR 107 HG1 THR 107 0.595 -8.764 -5.469 894 HG21 THR 107 HG21 THR 107 2.285 -10.547 -3.010 895 HG22 THR 107 HG22 THR 107 2.124 -11.771 -4.268 896 HG23 THR 107 HG23 THR 107 1.101 -11.844 -2.833 897 H GLU 108 H GLU 108 -2.223 -10.390 -3.316 898 HA GLU 108 HA GLU 108 -2.458 -12.368 -1.434 899 HB2 GLU 108 HB2 GLU 108 -3.515 -10.153 -1.299 900 HB3 GLU 108 HB3 GLU 108 -4.633 -10.596 -2.577 901 HG2 GLU 108 HG2 GLU 108 -5.412 -12.450 -1.046 902 HG3 GLU 108 HG3 GLU 108 -4.508 -11.639 0.230 903 H GLN 109 H GLN 109 -4.510 -12.041 -4.358 904 HA GLN 109 HA GLN 109 -6.004 -14.350 -4.008 905 HB2 GLN 109 HB2 GLN 109 -6.454 -12.578 -5.703 906 HB3 GLN 109 HB3 GLN 109 -5.114 -13.198 -6.656 907 HG2 GLN 109 HG2 GLN 109 -6.289 -15.383 -6.776 908 HG3 GLN 109 HG3 GLN 109 -7.656 -14.634 -5.955 909 HE21 GLN 109 HE21 GLN 109 -7.432 -15.828 -8.626 910 HE22 GLN 109 HE22 GLN 109 -7.944 -14.604 -9.731 911 H LYS 110 H LYS 110 -2.836 -13.946 -5.506 912 HA LYS 110 HA LYS 110 -2.670 -16.581 -6.547 913 HB2 LYS 110 HB2 LYS 110 -0.562 -14.496 -6.027 914 HB3 LYS 110 HB3 LYS 110 -0.221 -16.045 -6.789 915 HG2 LYS 110 HG2 LYS 110 -1.487 -15.529 -8.680 916 HG3 LYS 110 HG3 LYS 110 -2.330 -14.214 -7.863 917 HD2 LYS 110 HD2 LYS 110 -0.136 -13.006 -7.742 918 HD3 LYS 110 HD3 LYS 110 0.546 -14.275 -8.762 919 HE2 LYS 110 HE2 LYS 110 -0.251 -12.169 -9.950 920 HE3 LYS 110 HE3 LYS 110 -0.853 -13.706 -10.580 921 HZ1 LYS 110 HZ1 LYS 110 -2.351 -12.060 -8.635 922 HZ2 LYS 110 HZ2 LYS 110 -2.929 -13.343 -9.565 923 HZ3 LYS 110 HZ3 LYS 110 -2.536 -11.878 -10.307 924 H VAL 111 H VAL 111 -1.446 -15.119 -3.537 925 HA VAL 111 HA VAL 111 -0.082 -17.457 -2.717 926 HB VAL 111 HB VAL 111 0.015 -16.455 -0.470 927 HG11 VAL 111 HG11 VAL 111 1.193 -14.387 -1.018 928 HG12 VAL 111 HG12 VAL 111 0.530 -14.460 -2.650 929 HG13 VAL 111 HG13 VAL 111 1.636 -15.716 -2.089 930 HG21 VAL 111 HG21 VAL 111 -0.975 -14.254 -0.020 931 HG22 VAL 111 HG22 VAL 111 -2.187 -15.508 -0.279 932 HG23 VAL 111 HG23 VAL 111 -1.829 -14.350 -1.561 933 H LYS 112 H LYS 112 -3.344 -16.254 -2.187 934 HA LYS 112 HA LYS 112 -4.253 -18.270 -0.451 935 HB2 LYS 112 HB2 LYS 112 -5.711 -16.607 -2.505 936 HB3 LYS 112 HB3 LYS 112 -6.516 -17.663 -1.361 937 HG2 LYS 112 HG2 LYS 112 -5.942 -16.320 0.462 938 HG3 LYS 112 HG3 LYS 112 -4.679 -15.482 -0.441 939 HD2 LYS 112 HD2 LYS 112 -6.419 -13.926 -0.341 940 HD3 LYS 112 HD3 LYS 112 -6.585 -14.630 -1.945 941 HE2 LYS 112 HE2 LYS 112 -8.241 -15.252 0.508 942 HE3 LYS 112 HE3 LYS 112 -8.741 -14.366 -0.930 943 HZ1 LYS 112 HZ1 LYS 112 -8.081 -17.257 -0.787 944 HZ2 LYS 112 HZ2 LYS 112 -8.419 -16.421 -2.217 945 HZ3 LYS 112 HZ3 LYS 112 -9.606 -16.573 -1.029 946 H ASP 113 H ASP 113 -3.946 -18.097 -3.938 947 HA ASP 113 HA ASP 113 -5.466 -20.452 -4.432 948 HB2 ASP 113 HB2 ASP 113 -4.198 -18.419 -6.040 949 HB3 ASP 113 HB3 ASP 113 -3.875 -20.026 -6.685 950 H ILE 114 H ILE 114 -2.082 -19.931 -3.554 951 HA ILE 114 HA ILE 114 -1.136 -22.300 -4.758 952 HB ILE 114 HB ILE 114 -0.090 -19.987 -3.465 953 HG12 ILE 114 HG12 ILE 114 2.044 -20.815 -4.410 954 HG13 ILE 114 HG13 ILE 114 1.233 -22.322 -4.823 955 HG21 ILE 114 HG21 ILE 114 1.685 -20.961 -2.070 956 HG22 ILE 114 HG22 ILE 114 0.898 -22.534 -2.199 957 HG23 ILE 114 HG23 ILE 114 0.075 -21.201 -1.394 958 HD11 ILE 114 HD11 ILE 114 -0.259 -21.151 -6.311 959 HD12 ILE 114 HD12 ILE 114 1.418 -20.771 -6.720 960 HD13 ILE 114 HD13 ILE 114 0.439 -19.605 -5.823 961 H GLN 115 H GLN 115 -0.802 -24.290 -3.848 962 HA GLN 115 HA GLN 115 -2.344 -25.121 -1.687 963 HB2 GLN 115 HB2 GLN 115 -1.720 -26.545 -3.575 964 HB3 GLN 115 HB3 GLN 115 -0.025 -26.414 -3.146 965 HG2 GLN 115 HG2 GLN 115 -0.482 -27.581 -1.034 966 HG3 GLN 115 HG3 GLN 115 -2.170 -27.751 -1.507 967 HE21 GLN 115 HE21 GLN 115 -2.090 -29.972 -1.457 968 HE22 GLN 115 HE22 GLN 115 -1.233 -30.909 -2.631 969 H THR 116 H THR 116 -1.350 -26.337 0.021 970 HA THR 116 HA THR 116 1.051 -25.398 1.245 971 HB THR 116 HB THR 116 -0.093 -24.532 3.381 972 HG1 THR 116 HG1 THR 116 -2.098 -23.333 2.081 973 HG21 THR 116 HG21 THR 116 1.286 -23.159 1.930 974 HG22 THR 116 HG22 THR 116 -0.120 -22.231 2.469 975 HG23 THR 116 HG23 THR 116 -0.072 -22.907 0.837 976 H GLN 117 H GLN 117 1.806 -26.668 2.862 977 HA GLN 117 HA GLN 117 0.314 -29.109 3.252 978 HB2 GLN 117 HB2 GLN 117 3.128 -28.370 4.000 979 HB3 GLN 117 HB3 GLN 117 2.439 -29.989 4.072 980 HG2 GLN 117 HG2 GLN 117 2.229 -30.090 1.696 981 HG3 GLN 117 HG3 GLN 117 2.647 -28.385 1.531 982 HE21 GLN 117 HE21 GLN 117 3.882 -30.713 0.316 983 HE22 GLN 117 HE22 GLN 117 5.544 -30.671 0.795 Start of MODEL 13 1 H GLN 1 H1 GLN 1 25.200 26.762 15.846 2 HA GLN 1 HA GLN 1 25.480 24.365 14.138 3 HB2 GLN 1 HB2 GLN 1 24.223 24.623 16.878 4 HB3 GLN 1 HB3 GLN 1 24.370 23.154 15.930 5 HG2 GLN 1 HG2 GLN 1 26.826 23.351 16.081 6 HG3 GLN 1 HG3 GLN 1 26.617 24.744 17.138 7 HE21 GLN 1 HE21 GLN 1 25.812 24.436 19.218 8 HE22 GLN 1 HE22 GLN 1 25.801 22.879 19.965 9 H GLU 2 H GLU 2 23.550 27.063 15.163 10 HA GLU 2 HA GLU 2 21.523 27.839 14.559 11 HB2 GLU 2 HB2 GLU 2 22.038 25.992 12.228 12 HB3 GLU 2 HB3 GLU 2 20.566 26.941 12.343 13 HG2 GLU 2 HG2 GLU 2 22.211 28.016 10.913 14 HG3 GLU 2 HG3 GLU 2 21.869 28.995 12.336 15 H HIS 3 H HIS 3 20.705 26.861 16.487 16 HA HIS 3 HA HIS 3 19.353 24.303 16.238 17 HB2 HIS 3 HB2 HIS 3 19.768 26.203 18.534 18 HB3 HIS 3 HB3 HIS 3 18.641 24.862 18.653 19 HD1 HIS 3 HD1 HIS 3 19.647 22.486 18.750 20 HD2 HIS 3 HD2 HIS 3 22.460 25.533 18.679 21 HE1 HIS 3 HE1 HIS 3 21.807 21.416 19.432 22 HE2 HIS 3 HE2 HIS 3 23.388 23.348 19.698 23 H LYS 4 H LYS 4 17.891 25.154 14.518 24 HA LYS 4 HA LYS 4 15.824 26.913 15.005 25 HB2 LYS 4 HB2 LYS 4 15.816 24.343 13.405 26 HB3 LYS 4 HB3 LYS 4 14.580 25.587 13.309 27 HG2 LYS 4 HG2 LYS 4 16.096 27.145 12.350 28 HG3 LYS 4 HG3 LYS 4 17.480 26.107 12.699 29 HD2 LYS 4 HD2 LYS 4 16.865 25.998 10.328 30 HD3 LYS 4 HD3 LYS 4 16.640 24.439 11.119 31 HE2 LYS 4 HE2 LYS 4 14.773 24.913 9.639 32 HE3 LYS 4 HE3 LYS 4 14.231 24.903 11.316 33 HZ1 LYS 4 HZ1 LYS 4 14.265 27.301 11.314 34 HZ2 LYS 4 HZ2 LYS 4 13.296 26.749 10.055 35 HZ3 LYS 4 HZ3 LYS 4 14.842 27.336 9.731 36 HA PRO 5 HA PRO 5 13.296 24.806 17.998 37 HB2 PRO 5 HB2 PRO 5 10.954 26.056 17.610 38 HB3 PRO 5 HB3 PRO 5 12.351 26.915 18.273 39 HG2 PRO 5 HG2 PRO 5 11.314 26.884 15.462 40 HG3 PRO 5 HG3 PRO 5 11.843 28.268 16.438 41 HD2 PRO 5 HD2 PRO 5 13.423 27.067 14.577 42 HD3 PRO 5 HD3 PRO 5 14.068 27.861 16.027 43 H LYS 6 H LYS 6 10.679 24.145 17.879 44 HA LYS 6 HA LYS 6 10.660 21.978 15.974 45 HB2 LYS 6 HB2 LYS 6 9.858 21.608 18.263 46 HB3 LYS 6 HB3 LYS 6 8.586 22.792 18.010 47 HG2 LYS 6 HG2 LYS 6 7.466 21.420 16.463 48 HG3 LYS 6 HG3 LYS 6 8.850 20.338 16.303 49 HD2 LYS 6 HD2 LYS 6 7.441 20.710 18.926 50 HD3 LYS 6 HD3 LYS 6 6.847 19.568 17.722 51 HE2 LYS 6 HE2 LYS 6 8.237 18.345 19.234 52 HE3 LYS 6 HE3 LYS 6 9.116 18.520 17.718 53 HZ1 LYS 6 HZ1 LYS 6 9.534 20.338 20.018 54 HZ2 LYS 6 HZ2 LYS 6 10.529 20.123 18.660 55 HZ3 LYS 6 HZ3 LYS 6 10.398 18.909 19.816 56 H LYS 7 H LYS 7 10.497 22.926 13.998 57 HA LYS 7 HA LYS 7 7.875 23.728 13.152 58 HB2 LYS 7 HB2 LYS 7 9.082 25.812 14.141 59 HB3 LYS 7 HB3 LYS 7 10.105 25.720 12.719 60 HG2 LYS 7 HG2 LYS 7 8.226 26.097 11.275 61 HG3 LYS 7 HG3 LYS 7 7.107 26.003 12.635 62 HD2 LYS 7 HD2 LYS 7 8.243 27.981 13.622 63 HD3 LYS 7 HD3 LYS 7 9.226 28.095 12.160 64 HE2 LYS 7 HE2 LYS 7 7.347 29.631 12.050 65 HE3 LYS 7 HE3 LYS 7 7.199 28.371 10.825 66 HZ1 LYS 7 HZ1 LYS 7 5.590 27.241 12.172 67 HZ2 LYS 7 HZ2 LYS 7 5.107 28.848 11.982 68 HZ3 LYS 7 HZ3 LYS 7 5.798 28.343 13.440 69 H ASP 8 H ASP 8 8.302 24.582 10.680 70 HA ASP 8 HA ASP 8 9.144 22.460 9.149 71 HB2 ASP 8 HB2 ASP 8 9.146 25.404 8.430 72 HB3 ASP 8 HB3 ASP 8 9.270 24.088 7.268 73 H ASP 9 H ASP 9 11.067 21.785 8.286 74 HA ASP 9 HA ASP 9 13.427 22.766 9.611 75 HB2 ASP 9 HB2 ASP 9 12.936 20.330 9.195 76 HB3 ASP 9 HB3 ASP 9 13.227 20.628 7.485 77 H PHE 10 H PHE 10 12.005 22.895 6.442 78 HA PHE 10 HA PHE 10 14.356 24.243 5.363 79 HB2 PHE 10 HB2 PHE 10 11.901 23.150 3.973 80 HB3 PHE 10 HB3 PHE 10 13.244 23.934 3.156 81 HD1 PHE 10 HD1 PHE 10 12.530 21.095 5.434 82 HD2 PHE 10 HD2 PHE 10 14.959 22.641 2.314 83 HE1 PHE 10 HE1 PHE 10 13.655 18.910 5.240 84 HE2 PHE 10 HE2 PHE 10 16.095 20.470 2.112 85 HZ PHE 10 HZ PHE 10 15.445 18.599 3.577 86 H ARG 11 H ARG 11 12.454 25.396 3.293 87 HA ARG 11 HA ARG 11 11.699 27.775 4.835 88 HB2 ARG 11 HB2 ARG 11 12.155 27.433 1.862 89 HB3 ARG 11 HB3 ARG 11 11.535 28.904 2.591 90 HG2 ARG 11 HG2 ARG 11 13.781 29.369 2.319 91 HG3 ARG 11 HG3 ARG 11 13.704 28.842 3.998 92 HD2 ARG 11 HD2 ARG 11 15.595 27.800 2.978 93 HD3 ARG 11 HD3 ARG 11 14.364 26.563 3.230 94 HE ARG 11 HE ARG 11 13.927 27.454 0.679 95 HH11 ARG 11 HH11 ARG 11 16.686 26.112 2.389 96 HH12 ARG 11 HH12 ARG 11 17.381 25.388 0.984 97 HH21 ARG 11 HH21 ARG 11 14.849 26.515 -1.187 98 HH22 ARG 11 HH22 ARG 11 16.323 25.619 -1.072 99 H ASN 12 H ASN 12 9.704 28.913 3.920 100 HA ASN 12 HA ASN 12 7.521 27.039 4.064 101 HB2 ASN 12 HB2 ASN 12 6.090 29.004 4.120 102 HB3 ASN 12 HB3 ASN 12 7.464 29.250 5.193 103 HD21 ASN 12 HD21 ASN 12 5.792 30.335 2.416 104 HD22 ASN 12 HD22 ASN 12 6.799 31.700 2.068 105 H GLU 13 H GLU 13 9.327 27.137 1.646 106 HA GLU 13 HA GLU 13 7.642 28.037 -0.528 107 HB2 GLU 13 HB2 GLU 13 10.245 26.511 -0.626 108 HB3 GLU 13 HB3 GLU 13 9.483 27.369 -1.957 109 HG2 GLU 13 HG2 GLU 13 9.809 29.483 -0.783 110 HG3 GLU 13 HG3 GLU 13 10.568 28.622 0.555 111 H PHE 14 H PHE 14 6.531 26.044 1.077 112 HA PHE 14 HA PHE 14 6.760 23.534 -0.410 113 HB2 PHE 14 HB2 PHE 14 5.355 24.178 2.181 114 HB3 PHE 14 HB3 PHE 14 5.244 22.616 1.387 115 HD1 PHE 14 HD2 PHE 14 7.835 21.882 0.593 116 HD2 PHE 14 HD1 PHE 14 6.689 24.117 4.026 117 HE1 PHE 14 HE2 PHE 14 9.881 21.148 1.746 118 HE2 PHE 14 HE1 PHE 14 8.733 23.385 5.186 119 HZ PHE 14 HZ PHE 14 10.329 21.896 4.046 120 H ASP 15 H ASP 15 5.744 24.797 -2.249 121 HA ASP 15 HA ASP 15 2.924 25.261 -2.062 122 HB2 ASP 15 HB2 ASP 15 4.378 26.505 -3.661 123 HB3 ASP 15 HB3 ASP 15 4.594 25.015 -4.573 124 H HIS 16 H HIS 16 4.990 22.659 -3.156 125 HA HIS 16 HA HIS 16 2.595 20.950 -3.402 126 HB2 HIS 16 HB2 HIS 16 5.112 20.591 -5.049 127 HB3 HIS 16 HB3 HIS 16 3.602 19.711 -5.215 128 HD1 HIS 16 HD1 HIS 16 1.819 20.732 -6.727 129 HD2 HIS 16 HD2 HIS 16 5.070 23.241 -6.067 130 HE1 HIS 16 HE1 HIS 16 1.554 22.627 -8.341 131 HE2 HIS 16 HE2 HIS 16 3.352 24.259 -7.685 132 H LEU 17 H LEU 17 3.180 20.590 -1.019 133 HA LEU 17 HA LEU 17 5.445 18.778 -0.729 134 HB2 LEU 17 HB2 LEU 17 5.158 20.665 0.873 135 HB3 LEU 17 HB3 LEU 17 3.602 20.018 1.338 136 HG LEU 17 HG LEU 17 6.119 18.405 1.722 137 HD11 LEU 17 HD11 LEU 17 4.961 20.434 3.626 138 HD12 LEU 17 HD12 LEU 17 6.509 20.558 2.788 139 HD13 LEU 17 HD13 LEU 17 6.257 19.296 3.995 140 HD21 LEU 17 HD21 LEU 17 3.469 18.459 3.166 141 HD22 LEU 17 HD22 LEU 17 4.820 17.380 3.518 142 HD23 LEU 17 HD23 LEU 17 3.975 17.261 1.972 143 H LEU 18 H LEU 18 2.010 18.989 -0.795 144 HA LEU 18 HA LEU 18 1.191 16.644 0.438 145 HB2 LEU 18 HB2 LEU 18 0.073 18.206 -1.878 146 HB3 LEU 18 HB3 LEU 18 -0.721 16.762 -1.291 147 HG LEU 18 HG LEU 18 -1.193 17.802 0.838 148 HD11 LEU 18 HD11 LEU 18 0.865 19.088 1.114 149 HD12 LEU 18 HD12 LEU 18 -0.564 20.092 1.357 150 HD13 LEU 18 HD13 LEU 18 0.342 20.197 -0.153 151 HD21 LEU 18 HD21 LEU 18 -1.802 19.546 -1.530 152 HD22 LEU 18 HD22 LEU 18 -2.498 19.793 0.065 153 HD23 LEU 18 HD23 LEU 18 -2.819 18.294 -0.810 154 H ILE 19 H ILE 19 2.126 17.196 -2.928 155 HA ILE 19 HA ILE 19 1.756 14.552 -3.793 156 HB ILE 19 HB ILE 19 3.511 16.747 -4.911 157 HG12 ILE 19 HG12 ILE 19 1.054 17.114 -4.933 158 HG13 ILE 19 HG13 ILE 19 1.752 17.012 -6.548 159 HG21 ILE 19 HG21 ILE 19 3.727 15.423 -6.938 160 HG22 ILE 19 HG22 ILE 19 2.754 14.140 -6.228 161 HG23 ILE 19 HG23 ILE 19 4.356 14.492 -5.572 162 HD11 ILE 19 HD11 ILE 19 -0.287 15.819 -6.551 163 HD12 ILE 19 HD12 ILE 19 0.153 14.923 -5.099 164 HD13 ILE 19 HD13 ILE 19 1.010 14.628 -6.614 165 H GLU 20 H GLU 20 4.534 16.180 -2.318 166 HA GLU 20 HA GLU 20 6.501 14.261 -2.820 167 HB2 GLU 20 HB2 GLU 20 6.199 15.896 -0.293 168 HB3 GLU 20 HB3 GLU 20 7.670 15.118 -0.851 169 HG2 GLU 20 HG2 GLU 20 7.575 16.600 -2.867 170 HG3 GLU 20 HG3 GLU 20 6.236 17.444 -2.084 171 H GLN 21 H GLN 21 4.222 14.501 -0.122 172 HA GLN 21 HA GLN 21 5.175 12.202 1.233 173 HB2 GLN 21 HB2 GLN 21 2.495 13.576 1.456 174 HB3 GLN 21 HB3 GLN 21 3.134 12.394 2.591 175 HG2 GLN 21 HG2 GLN 21 4.332 15.087 1.984 176 HG3 GLN 21 HG3 GLN 21 3.399 14.666 3.418 177 HE21 GLN 21 HE21 GLN 21 6.169 15.627 3.094 178 HE22 GLN 21 HE22 GLN 21 7.160 14.469 3.904 179 H ALA 22 H ALA 22 2.678 12.677 -1.207 180 HA ALA 22 HA ALA 22 1.548 10.047 -0.891 181 HB1 ALA 22 HB1 ALA 22 0.192 11.916 -1.713 182 HB2 ALA 22 HB2 ALA 22 0.256 10.614 -2.899 183 HB3 ALA 22 HB3 ALA 22 1.239 12.061 -3.126 184 H ASN 23 H ASN 23 3.726 11.657 -3.030 185 HA ASN 23 HA ASN 23 4.165 9.604 -4.915 186 HB2 ASN 23 HB2 ASN 23 4.770 11.986 -5.278 187 HB3 ASN 23 HB3 ASN 23 6.057 11.822 -4.092 188 HD21 ASN 23 HD21 ASN 23 7.596 12.393 -5.600 189 HD22 ASN 23 HD22 ASN 23 8.100 11.329 -6.859 190 H HIS 24 H HIS 24 5.764 10.423 -1.869 191 HA HIS 24 HA HIS 24 7.769 8.433 -2.214 192 HB2 HIS 24 HB2 HIS 24 7.972 10.467 -0.705 193 HB3 HIS 24 HB3 HIS 24 6.942 9.607 0.436 194 HD1 HIS 24 HD1 HIS 24 8.069 7.978 1.968 195 HD2 HIS 24 HD2 HIS 24 10.480 9.091 -1.230 196 HE1 HIS 24 HE1 HIS 24 10.312 6.936 2.417 197 HE2 HIS 24 HE2 HIS 24 11.692 7.473 0.379 198 H ALA 25 H ALA 25 4.505 8.424 -0.670 199 HA ALA 25 HA ALA 25 4.791 6.000 0.641 200 HB1 ALA 25 HB1 ALA 25 2.336 7.267 -0.572 201 HB2 ALA 25 HB2 ALA 25 2.974 7.592 1.039 202 HB3 ALA 25 HB3 ALA 25 2.353 5.989 0.644 203 H ILE 26 H ILE 26 3.747 6.759 -2.690 204 HA ILE 26 HA ILE 26 3.146 4.054 -3.287 205 HB ILE 26 HB ILE 26 3.147 4.710 -5.679 206 HG12 ILE 26 HG12 ILE 26 3.900 7.443 -4.629 207 HG13 ILE 26 HG13 ILE 26 4.937 6.398 -5.592 208 HG21 ILE 26 HG21 ILE 26 1.134 4.937 -4.363 209 HG22 ILE 26 HG22 ILE 26 1.244 6.256 -5.530 210 HG23 ILE 26 HG23 ILE 26 1.631 6.546 -3.834 211 HD11 ILE 26 HD11 ILE 26 3.955 8.165 -6.938 212 HD12 ILE 26 HD12 ILE 26 2.337 7.620 -6.493 213 HD13 ILE 26 HD13 ILE 26 3.383 6.581 -7.463 214 H GLU 27 H GLU 27 6.097 5.964 -3.498 215 HA GLU 27 HA GLU 27 7.655 4.092 -4.920 216 HB2 GLU 27 HB2 GLU 27 8.486 6.000 -2.730 217 HB3 GLU 27 HB3 GLU 27 9.605 5.098 -3.736 218 HG2 GLU 27 HG2 GLU 27 8.742 6.259 -5.709 219 HG3 GLU 27 HG3 GLU 27 7.650 7.180 -4.671 220 H LYS 28 H LYS 28 6.838 4.417 -1.508 221 HA LYS 28 HA LYS 28 8.488 2.317 -0.557 222 HB2 LYS 28 HB2 LYS 28 7.537 4.070 0.906 223 HB3 LYS 28 HB3 LYS 28 5.922 3.451 0.594 224 HG2 LYS 28 HG2 LYS 28 6.582 1.312 1.658 225 HG3 LYS 28 HG3 LYS 28 8.147 2.028 2.047 226 HD2 LYS 28 HD2 LYS 28 5.464 3.073 2.974 227 HD3 LYS 28 HD3 LYS 28 6.575 2.116 3.953 228 HE2 LYS 28 HE2 LYS 28 8.268 3.883 3.739 229 HE3 LYS 28 HE3 LYS 28 7.146 4.835 2.769 230 HZ1 LYS 28 HZ1 LYS 28 5.649 4.932 4.675 231 HZ2 LYS 28 HZ2 LYS 28 7.163 5.571 5.065 232 HZ3 LYS 28 HZ3 LYS 28 6.738 4.029 5.595 233 H GLY 29 H GLY 29 5.072 2.525 -1.530 234 HA2 GLY 29 HA2 GLY 29 4.345 -0.126 -1.071 235 HA3 GLY 29 HA3 GLY 29 3.605 0.943 -2.252 236 H GLU 30 H GLU 30 5.848 1.396 -3.863 237 HA GLU 30 HA GLU 30 5.709 -0.704 -5.686 238 HB2 GLU 30 HB2 GLU 30 6.331 1.560 -6.310 239 HB3 GLU 30 HB3 GLU 30 7.781 1.467 -5.324 240 HG2 GLU 30 HG2 GLU 30 8.590 -0.357 -6.815 241 HG3 GLU 30 HG3 GLU 30 7.194 -0.054 -7.850 242 H HIS 31 H HIS 31 8.152 0.092 -3.252 243 HA HIS 31 HA HIS 31 9.973 -1.948 -3.988 244 HB2 HIS 31 HB2 HIS 31 10.560 0.097 -2.676 245 HB3 HIS 31 HB3 HIS 31 9.710 -0.589 -1.298 246 HD1 HIS 31 HD1 HIS 31 10.868 -2.577 -0.059 247 HD2 HIS 31 HD2 HIS 31 13.068 -0.999 -3.219 248 HE1 HIS 31 HE1 HIS 31 13.175 -3.522 0.187 249 HE2 HIS 31 HE2 HIS 31 14.459 -2.650 -1.794 250 H GLN 32 H GLN 32 7.411 -1.758 -1.543 251 HA GLN 32 HA GLN 32 8.063 -4.328 -0.460 252 HB2 GLN 32 HB2 GLN 32 6.089 -4.052 0.956 253 HB3 GLN 32 HB3 GLN 32 7.072 -2.609 0.967 254 HG2 GLN 32 HG2 GLN 32 4.948 -1.737 0.850 255 HG3 GLN 32 HG3 GLN 32 5.440 -1.750 -0.838 256 HE21 GLN 32 HE21 GLN 32 4.468 -4.634 0.918 257 HE22 GLN 32 HE22 GLN 32 3.004 -4.881 0.047 258 H LEU 33 H LEU 33 5.911 -3.172 -2.964 259 HA LEU 33 HA LEU 33 4.382 -5.529 -3.199 260 HB2 LEU 33 HB2 LEU 33 3.719 -3.416 -4.250 261 HB3 LEU 33 HB3 LEU 33 5.122 -3.469 -5.291 262 HG LEU 33 HG LEU 33 2.733 -4.138 -6.178 263 HD11 LEU 33 HD11 LEU 33 4.797 -4.148 -7.491 264 HD12 LEU 33 HD12 LEU 33 3.736 -5.498 -7.890 265 HD13 LEU 33 HD13 LEU 33 5.162 -5.766 -6.884 266 HD21 LEU 33 HD21 LEU 33 2.291 -6.529 -6.113 267 HD22 LEU 33 HD22 LEU 33 2.339 -5.884 -4.472 268 HD23 LEU 33 HD23 LEU 33 3.712 -6.795 -5.104 269 H LEU 34 H LEU 34 7.379 -4.454 -4.809 270 HA LEU 34 HA LEU 34 7.703 -6.812 -6.356 271 HB2 LEU 34 HB2 LEU 34 9.777 -4.836 -5.388 272 HB3 LEU 34 HB3 LEU 34 10.018 -6.027 -6.648 273 HG LEU 34 HG LEU 34 8.089 -3.710 -6.797 274 HD11 LEU 34 HD11 LEU 34 9.657 -2.778 -8.420 275 HD12 LEU 34 HD12 LEU 34 10.767 -4.115 -8.119 276 HD13 LEU 34 HD13 LEU 34 10.404 -2.964 -6.833 277 HD21 LEU 34 HD21 LEU 34 7.330 -5.609 -8.107 278 HD22 LEU 34 HD22 LEU 34 8.917 -5.751 -8.862 279 HD23 LEU 34 HD23 LEU 34 7.917 -4.332 -9.172 280 H TYR 35 H TYR 35 8.312 -5.940 -3.157 281 HA TYR 35 HA TYR 35 10.314 -7.878 -2.494 282 HB2 TYR 35 HB2 TYR 35 9.948 -5.860 -1.104 283 HB3 TYR 35 HB3 TYR 35 8.377 -6.491 -0.628 284 HD1 TYR 35 HD2 TYR 35 8.225 -8.438 0.877 285 HD2 TYR 35 HD1 TYR 35 11.983 -6.718 -0.136 286 HE1 TYR 35 HE2 TYR 35 9.249 -9.623 2.744 287 HE2 TYR 35 HE1 TYR 35 13.033 -7.906 1.743 288 HH TYR 35 HH TYR 35 11.437 -10.394 3.478 289 H LEU 36 H LEU 36 6.795 -7.736 -1.734 290 HA LEU 36 HA LEU 36 6.701 -10.369 -0.748 291 HB2 LEU 36 HB2 LEU 36 4.632 -8.381 -1.573 292 HB3 LEU 36 HB3 LEU 36 4.159 -10.038 -1.263 293 HG LEU 36 HG LEU 36 3.710 -8.827 0.715 294 HD11 LEU 36 HD11 LEU 36 5.082 -9.886 2.376 295 HD12 LEU 36 HD12 LEU 36 6.330 -10.225 1.181 296 HD13 LEU 36 HD13 LEU 36 4.755 -11.010 1.059 297 HD21 LEU 36 HD21 LEU 36 4.978 -6.829 0.350 298 HD22 LEU 36 HD22 LEU 36 6.495 -7.707 0.497 299 HD23 LEU 36 HD23 LEU 36 5.451 -7.513 1.906 300 H GLN 37 H GLN 37 6.365 -9.054 -3.991 301 HA GLN 37 HA GLN 37 5.153 -11.267 -5.197 302 HB2 GLN 37 HB2 GLN 37 7.086 -9.232 -6.315 303 HB3 GLN 37 HB3 GLN 37 6.350 -10.480 -7.308 304 HG2 GLN 37 HG2 GLN 37 4.758 -8.502 -5.697 305 HG3 GLN 37 HG3 GLN 37 5.239 -8.228 -7.368 306 HE21 GLN 37 HE21 GLN 37 3.014 -8.092 -7.933 307 HE22 GLN 37 HE22 GLN 37 2.057 -9.514 -8.085 308 H HIS 38 H HIS 38 8.522 -10.591 -4.386 309 HA HIS 38 HA HIS 38 9.655 -12.898 -5.638 310 HB2 HIS 38 HB2 HIS 38 10.908 -10.809 -4.890 311 HB3 HIS 38 HB3 HIS 38 10.804 -11.454 -3.253 312 HD1 HIS 38 HD1 HIS 38 11.844 -14.016 -3.060 313 HD2 HIS 38 HD2 HIS 38 13.082 -11.673 -6.255 314 HE1 HIS 38 HE1 HIS 38 13.889 -15.120 -3.945 315 HE2 HIS 38 HE2 HIS 38 14.567 -13.759 -5.946 316 H GLN 39 H GLN 39 8.235 -12.261 -2.449 317 HA GLN 39 HA GLN 39 9.098 -14.671 -1.264 318 HB2 GLN 39 HB2 GLN 39 6.723 -12.911 -0.626 319 HB3 GLN 39 HB3 GLN 39 7.334 -14.196 0.401 320 HG2 GLN 39 HG2 GLN 39 8.834 -11.698 -0.367 321 HG3 GLN 39 HG3 GLN 39 8.022 -11.980 1.172 322 HE21 GLN 39 HE21 GLN 39 9.844 -11.808 2.401 323 HE22 GLN 39 HE22 GLN 39 11.118 -12.976 2.381 324 H LEU 40 H LEU 40 6.135 -13.629 -2.870 325 HA LEU 40 HA LEU 40 4.593 -15.880 -2.750 326 HB2 LEU 40 HB2 LEU 40 3.817 -13.821 -3.742 327 HB3 LEU 40 HB3 LEU 40 4.980 -13.964 -5.043 328 HG LEU 40 HG LEU 40 3.789 -15.994 -5.833 329 HD11 LEU 40 HD11 LEU 40 2.775 -16.683 -3.738 330 HD12 LEU 40 HD12 LEU 40 1.542 -16.443 -4.976 331 HD13 LEU 40 HD13 LEU 40 1.783 -15.226 -3.723 332 HD21 LEU 40 HD21 LEU 40 1.891 -14.798 -6.783 333 HD22 LEU 40 HD22 LEU 40 3.345 -13.802 -6.812 334 HD23 LEU 40 HD23 LEU 40 2.098 -13.511 -5.598 335 H ASP 41 H ASP 41 7.199 -15.172 -5.124 336 HA ASP 41 HA ASP 41 6.934 -17.476 -6.646 337 HB2 ASP 41 HB2 ASP 41 8.301 -15.575 -7.334 338 HB3 ASP 41 HB3 ASP 41 9.405 -15.857 -5.993 339 H GLU 42 H GLU 42 8.909 -16.837 -3.755 340 HA GLU 42 HA GLU 42 10.157 -19.345 -3.677 341 HB2 GLU 42 HB2 GLU 42 11.048 -17.463 -2.452 342 HB3 GLU 42 HB3 GLU 42 9.599 -17.376 -1.461 343 HG2 GLU 42 HG2 GLU 42 10.105 -19.514 -0.469 344 HG3 GLU 42 HG3 GLU 42 11.508 -19.695 -1.517 345 H LEU 43 H LEU 43 7.038 -18.224 -2.224 346 HA LEU 43 HA LEU 43 6.660 -20.469 -0.586 347 HB2 LEU 43 HB2 LEU 43 5.488 -18.358 -0.288 348 HB3 LEU 43 HB3 LEU 43 4.735 -18.530 -1.861 349 HG LEU 43 HG LEU 43 3.610 -20.598 -1.005 350 HD11 LEU 43 HD11 LEU 43 4.641 -19.624 1.642 351 HD12 LEU 43 HD12 LEU 43 5.115 -21.109 0.817 352 HD13 LEU 43 HD13 LEU 43 3.462 -20.912 1.400 353 HD21 LEU 43 HD21 LEU 43 1.922 -19.374 0.262 354 HD22 LEU 43 HD22 LEU 43 2.446 -18.476 -1.162 355 HD23 LEU 43 HD23 LEU 43 3.038 -18.021 0.436 356 H ASN 44 H ASN 44 6.063 -19.780 -3.941 357 HA ASN 44 HA ASN 44 4.251 -21.852 -4.523 358 HB2 ASN 44 HB2 ASN 44 6.074 -20.141 -6.105 359 HB3 ASN 44 HB3 ASN 44 5.579 -21.650 -6.865 360 HD21 ASN 44 HD21 ASN 44 4.499 -18.580 -5.611 361 HD22 ASN 44 HD22 ASN 44 2.941 -18.617 -6.363 362 H GLU 45 H GLU 45 7.742 -21.859 -4.218 363 HA GLU 45 HA GLU 45 8.016 -24.583 -5.053 364 HB2 GLU 45 HB2 GLU 45 9.821 -23.025 -5.424 365 HB3 GLU 45 HB3 GLU 45 9.900 -22.643 -3.713 366 HG2 GLU 45 HG2 GLU 45 11.728 -24.073 -4.295 367 HG3 GLU 45 HG3 GLU 45 10.612 -24.954 -3.260 368 H ASN 46 H ASN 46 8.035 -22.896 -1.880 369 HA ASN 46 HA ASN 46 8.744 -25.288 -0.429 370 HB2 ASN 46 HB2 ASN 46 9.341 -22.902 0.223 371 HB3 ASN 46 HB3 ASN 46 7.655 -22.681 0.665 372 HD21 ASN 46 HD21 ASN 46 10.050 -22.502 2.291 373 HD22 ASN 46 HD22 ASN 46 9.853 -23.636 3.581 374 H LYS 47 H LYS 47 5.965 -23.469 -1.094 375 HA LYS 47 HA LYS 47 3.590 -23.824 -0.867 376 HB2 LYS 47 HB2 LYS 47 4.618 -26.177 -1.774 377 HB3 LYS 47 HB3 LYS 47 3.967 -26.685 -0.225 378 HG2 LYS 47 HG2 LYS 47 2.319 -27.110 -1.885 379 HG3 LYS 47 HG3 LYS 47 1.767 -25.763 -0.890 380 HD2 LYS 47 HD2 LYS 47 1.331 -25.306 -3.239 381 HD3 LYS 47 HD3 LYS 47 2.545 -24.189 -2.620 382 HE2 LYS 47 HE2 LYS 47 3.163 -24.991 -4.828 383 HE3 LYS 47 HE3 LYS 47 4.312 -25.556 -3.623 384 HZ1 LYS 47 HZ1 LYS 47 3.742 -27.295 -5.175 385 HZ2 LYS 47 HZ2 LYS 47 2.102 -27.158 -4.792 386 HZ3 LYS 47 HZ3 LYS 47 3.195 -27.704 -3.632 387 H SER 48 H SER 48 5.427 -23.417 1.547 388 HA SER 48 HA SER 48 4.465 -25.039 3.677 389 HB2 SER 48 HB2 SER 48 6.683 -24.158 3.792 390 HB3 SER 48 HB3 SER 48 6.102 -22.501 3.600 391 HG SER 48 HG SER 48 5.865 -24.255 5.802 392 H LYS 49 H LYS 49 2.796 -24.797 4.893 393 HA LYS 49 HA LYS 49 0.760 -22.954 4.565 394 HB2 LYS 49 HB2 LYS 49 0.180 -23.757 6.951 395 HB3 LYS 49 HB3 LYS 49 0.214 -24.948 5.653 396 HG2 LYS 49 HG2 LYS 49 2.424 -25.655 6.309 397 HG3 LYS 49 HG3 LYS 49 2.483 -24.404 7.542 398 HD2 LYS 49 HD2 LYS 49 0.708 -25.478 8.734 399 HD3 LYS 49 HD3 LYS 49 0.557 -26.684 7.445 400 HE2 LYS 49 HE2 LYS 49 2.759 -27.489 7.826 401 HE3 LYS 49 HE3 LYS 49 3.111 -26.184 8.942 402 HZ1 LYS 49 HZ1 LYS 49 1.482 -27.072 10.484 403 HZ2 LYS 49 HZ2 LYS 49 2.634 -28.249 10.118 404 HZ3 LYS 49 HZ3 LYS 49 1.104 -28.329 9.416 405 H GLU 50 H GLU 50 3.397 -23.048 6.980 406 HA GLU 50 HA GLU 50 2.646 -20.799 8.437 407 HB2 GLU 50 HB2 GLU 50 5.440 -21.860 8.002 408 HB3 GLU 50 HB3 GLU 50 4.925 -20.806 9.310 409 HG2 GLU 50 HG2 GLU 50 3.524 -22.552 10.214 410 HG3 GLU 50 HG3 GLU 50 3.917 -23.604 8.855 411 H LEU 51 H LEU 51 5.020 -21.100 5.799 412 HA LEU 51 HA LEU 51 5.704 -18.404 5.755 413 HB2 LEU 51 HB2 LEU 51 6.966 -20.176 4.607 414 HB3 LEU 51 HB3 LEU 51 5.656 -20.358 3.459 415 HG LEU 51 HG LEU 51 6.040 -18.036 2.694 416 HD11 LEU 51 HD11 LEU 51 7.019 -17.144 4.739 417 HD12 LEU 51 HD12 LEU 51 8.073 -16.872 3.350 418 HD13 LEU 51 HD13 LEU 51 8.447 -18.155 4.503 419 HD21 LEU 51 HD21 LEU 51 7.036 -19.877 1.484 420 HD22 LEU 51 HD22 LEU 51 8.424 -19.878 2.572 421 HD23 LEU 51 HD23 LEU 51 8.141 -18.504 1.502 422 H GLN 52 H GLN 52 3.141 -20.178 4.080 423 HA GLN 52 HA GLN 52 2.207 -18.113 2.448 424 HB2 GLN 52 HB2 GLN 52 1.444 -20.456 2.286 425 HB3 GLN 52 HB3 GLN 52 0.571 -20.263 3.800 426 HG2 GLN 52 HG2 GLN 52 -0.714 -18.398 2.684 427 HG3 GLN 52 HG3 GLN 52 0.019 -18.918 1.168 428 HE21 GLN 52 HE21 GLN 52 -1.877 -19.533 0.232 429 HE22 GLN 52 HE22 GLN 52 -2.778 -20.914 0.749 430 H GLU 53 H GLU 53 1.266 -19.013 5.745 431 HA GLU 53 HA GLU 53 -0.709 -17.038 6.000 432 HB2 GLU 53 HB2 GLU 53 0.825 -18.557 8.098 433 HB3 GLU 53 HB3 GLU 53 -0.550 -17.514 8.441 434 HG2 GLU 53 HG2 GLU 53 -1.846 -18.956 6.790 435 HG3 GLU 53 HG3 GLU 53 -0.501 -20.088 6.903 436 H LYS 54 H LYS 54 2.741 -17.028 6.934 437 HA LYS 54 HA LYS 54 2.684 -14.504 8.175 438 HB2 LYS 54 HB2 LYS 54 4.975 -15.871 6.743 439 HB3 LYS 54 HB3 LYS 54 5.119 -14.522 7.860 440 HG2 LYS 54 HG2 LYS 54 4.303 -15.900 9.680 441 HG3 LYS 54 HG3 LYS 54 4.040 -17.238 8.563 442 HD2 LYS 54 HD2 LYS 54 6.068 -17.721 9.679 443 HD3 LYS 54 HD3 LYS 54 6.524 -17.159 8.075 444 HE2 LYS 54 HE2 LYS 54 6.429 -15.302 10.441 445 HE3 LYS 54 HE3 LYS 54 7.849 -16.281 10.091 446 HZ1 LYS 54 HZ1 LYS 54 6.644 -14.210 8.336 447 HZ2 LYS 54 HZ2 LYS 54 7.911 -15.223 7.876 448 HZ3 LYS 54 HZ3 LYS 54 8.124 -14.130 9.139 449 H ILE 55 H ILE 55 3.327 -15.501 4.874 450 HA ILE 55 HA ILE 55 3.973 -12.957 3.839 451 HB ILE 55 HB ILE 55 2.852 -15.388 2.436 452 HG12 ILE 55 HG12 ILE 55 5.620 -14.162 2.465 453 HG13 ILE 55 HG13 ILE 55 5.129 -15.588 3.372 454 HG21 ILE 55 HG21 ILE 55 3.451 -14.310 0.314 455 HG22 ILE 55 HG22 ILE 55 3.875 -12.838 1.185 456 HG23 ILE 55 HG23 ILE 55 2.205 -13.401 1.172 457 HD11 ILE 55 HD11 ILE 55 6.362 -16.196 1.376 458 HD12 ILE 55 HD12 ILE 55 5.197 -15.331 0.375 459 HD13 ILE 55 HD13 ILE 55 4.695 -16.762 1.274 460 H ILE 56 H ILE 56 0.842 -14.694 3.737 461 HA ILE 56 HA ILE 56 -0.498 -12.540 2.482 462 HB ILE 56 HB ILE 56 -1.347 -14.870 2.393 463 HG12 ILE 56 HG12 ILE 56 -3.340 -12.915 3.567 464 HG13 ILE 56 HG13 ILE 56 -2.822 -12.946 1.886 465 HG21 ILE 56 HG21 ILE 56 -0.934 -15.527 4.695 466 HG22 ILE 56 HG22 ILE 56 -2.623 -15.792 4.266 467 HG23 ILE 56 HG23 ILE 56 -2.171 -14.404 5.254 468 HD11 ILE 56 HD11 ILE 56 -4.299 -15.145 3.315 469 HD12 ILE 56 HD12 ILE 56 -3.790 -15.170 1.627 470 HD13 ILE 56 HD13 ILE 56 -4.992 -14.000 2.166 471 H ARG 57 H ARG 57 0.052 -13.297 5.881 472 HA ARG 57 HA ARG 57 -1.823 -11.402 6.867 473 HB2 ARG 57 HB2 ARG 57 0.282 -13.085 8.035 474 HB3 ARG 57 HB3 ARG 57 0.055 -11.554 8.868 475 HG2 ARG 57 HG2 ARG 57 -1.302 -13.238 9.913 476 HG3 ARG 57 HG3 ARG 57 -2.346 -12.072 9.101 477 HD2 ARG 57 HD2 ARG 57 -2.433 -13.648 7.157 478 HD3 ARG 57 HD3 ARG 57 -1.589 -14.828 8.156 479 HE ARG 57 HE ARG 57 -4.212 -13.692 8.875 480 HH11 ARG 57 HH11 ARG 57 -2.011 -16.409 8.663 481 HH12 ARG 57 HH12 ARG 57 -3.165 -17.580 9.185 482 HH21 ARG 57 HH21 ARG 57 -5.766 -15.227 9.594 483 HH22 ARG 57 HH22 ARG 57 -5.331 -16.893 9.724 484 H GLU 58 H GLU 58 1.720 -11.194 6.311 485 HA GLU 58 HA GLU 58 1.875 -8.515 7.144 486 HB2 GLU 58 HB2 GLU 58 3.890 -9.801 7.065 487 HB3 GLU 58 HB3 GLU 58 3.658 -10.171 5.361 488 HG2 GLU 58 HG2 GLU 58 4.097 -7.916 4.740 489 HG3 GLU 58 HG3 GLU 58 4.095 -7.399 6.424 490 H LEU 59 H LEU 59 1.129 -10.050 4.087 491 HA LEU 59 HA LEU 59 1.369 -7.813 2.417 492 HB2 LEU 59 HB2 LEU 59 1.179 -10.181 1.690 493 HB3 LEU 59 HB3 LEU 59 -0.501 -10.167 2.184 494 HG LEU 59 HG LEU 59 -0.928 -8.389 0.487 495 HD11 LEU 59 HD11 LEU 59 0.740 -8.035 -1.256 496 HD12 LEU 59 HD12 LEU 59 1.884 -9.044 -0.374 497 HD13 LEU 59 HD13 LEU 59 1.342 -7.515 0.318 498 HD21 LEU 59 HD21 LEU 59 0.246 -10.966 -0.544 499 HD22 LEU 59 HD22 LEU 59 -0.863 -9.908 -1.416 500 HD23 LEU 59 HD23 LEU 59 -1.401 -10.739 0.044 501 H ASP 60 H ASP 60 -1.413 -9.204 4.127 502 HA ASP 60 HA ASP 60 -3.313 -7.337 3.223 503 HB2 ASP 60 HB2 ASP 60 -3.899 -9.544 4.188 504 HB3 ASP 60 HB3 ASP 60 -3.383 -8.964 5.764 505 H VAL 61 H VAL 61 -1.379 -7.406 6.244 506 HA VAL 61 HA VAL 61 -2.671 -5.163 7.364 507 HB VAL 61 HB VAL 61 -0.800 -4.985 8.938 508 HG11 VAL 61 HG11 VAL 61 -2.526 -6.622 9.378 509 HG12 VAL 61 HG12 VAL 61 -0.960 -7.213 9.933 510 HG13 VAL 61 HG13 VAL 61 -1.651 -7.826 8.432 511 HG21 VAL 61 HG21 VAL 61 0.519 -7.066 7.207 512 HG22 VAL 61 HG22 VAL 61 1.078 -6.598 8.811 513 HG23 VAL 61 HG23 VAL 61 1.082 -5.421 7.496 514 H VAL 62 H VAL 62 0.146 -5.419 5.259 515 HA VAL 62 HA VAL 62 0.782 -2.637 5.384 516 HB VAL 62 HB VAL 62 1.580 -4.737 3.344 517 HG11 VAL 62 HG11 VAL 62 3.326 -3.150 2.652 518 HG12 VAL 62 HG12 VAL 62 2.647 -1.937 3.737 519 HG13 VAL 62 HG13 VAL 62 1.710 -2.509 2.357 520 HG21 VAL 62 HG21 VAL 62 2.441 -5.193 5.572 521 HG22 VAL 62 HG22 VAL 62 3.071 -3.550 5.687 522 HG23 VAL 62 HG23 VAL 62 3.748 -4.675 4.508 523 H CYS 63 H CYS 63 -1.162 -4.668 3.285 524 HA CYS 63 HA CYS 63 -1.691 -2.722 1.298 525 HB2 CYS 63 HB2 CYS 63 -2.182 -5.138 0.992 526 HB3 CYS 63 HB3 CYS 63 -3.482 -5.006 2.172 527 HG CYS 63 HG CYS 63 -4.242 -2.715 0.132 528 H ALA 64 H ALA 64 -3.189 -3.494 4.365 529 HA ALA 64 HA ALA 64 -5.444 -1.802 4.107 530 HB1 ALA 64 HB1 ALA 64 -4.105 -2.872 6.581 531 HB2 ALA 64 HB2 ALA 64 -5.342 -3.710 5.639 532 HB3 ALA 64 HB3 ALA 64 -5.737 -2.210 6.481 533 H MET 65 H MET 65 -2.323 -1.428 5.832 534 HA MET 65 HA MET 65 -2.928 1.134 6.845 535 HB2 MET 65 HB2 MET 65 -0.633 1.332 7.464 536 HB3 MET 65 HB3 MET 65 -1.072 -0.358 7.661 537 HG2 MET 65 HG2 MET 65 0.011 -0.892 5.553 538 HG3 MET 65 HG3 MET 65 0.428 0.801 5.328 539 HE1 MET 65 HE1 MET 65 1.112 -2.474 7.282 540 HE2 MET 65 HE2 MET 65 0.522 -1.436 8.578 541 HE3 MET 65 HE3 MET 65 2.209 -1.953 8.558 542 H ILE 66 H ILE 66 -1.399 0.093 3.850 543 HA ILE 66 HA ILE 66 -0.738 2.679 2.929 544 HB ILE 66 HB ILE 66 -0.764 -0.040 1.798 545 HG12 ILE 66 HG12 ILE 66 1.354 0.730 0.787 546 HG13 ILE 66 HG13 ILE 66 1.016 2.361 1.345 547 HG21 ILE 66 HG21 ILE 66 -2.257 0.961 0.171 548 HG22 ILE 66 HG22 ILE 66 -0.681 0.641 -0.553 549 HG23 ILE 66 HG23 ILE 66 -1.121 2.284 -0.089 550 HD11 ILE 66 HD11 ILE 66 1.185 1.637 3.645 551 HD12 ILE 66 HD12 ILE 66 2.641 1.186 2.761 552 HD13 ILE 66 HD13 ILE 66 1.416 -0.033 3.134 553 H GLU 67 H GLU 67 -3.589 0.654 2.546 554 HA GLU 67 HA GLU 67 -4.933 2.331 0.693 555 HB2 GLU 67 HB2 GLU 67 -5.391 -0.165 1.752 556 HB3 GLU 67 HB3 GLU 67 -6.663 0.793 2.491 557 HG2 GLU 67 HG2 GLU 67 -6.132 0.487 -0.456 558 HG3 GLU 67 HG3 GLU 67 -7.463 -0.225 0.454 559 H GLY 68 H GLY 68 -4.879 2.148 4.223 560 HA2 GLY 68 HA2 GLY 68 -7.033 3.901 4.689 561 HA3 GLY 68 HA3 GLY 68 -5.753 3.501 5.827 562 H ALA 69 H ALA 69 -3.575 4.397 4.504 563 HA ALA 69 HA ALA 69 -3.666 7.194 5.061 564 HB1 ALA 69 HB1 ALA 69 -1.328 7.214 4.346 565 HB2 ALA 69 HB2 ALA 69 -1.503 5.581 3.702 566 HB3 ALA 69 HB3 ALA 69 -1.643 5.865 5.437 567 H GLN 70 H GLN 70 -3.626 5.251 2.131 568 HA GLN 70 HA GLN 70 -3.233 7.384 0.302 569 HB2 GLN 70 HB2 GLN 70 -2.990 4.874 -0.168 570 HB3 GLN 70 HB3 GLN 70 -4.737 4.845 -0.340 571 HG2 GLN 70 HG2 GLN 70 -3.220 6.831 -1.934 572 HG3 GLN 70 HG3 GLN 70 -3.092 5.137 -2.386 573 HE21 GLN 70 HE21 GLN 70 -5.780 4.398 -1.675 574 HE22 GLN 70 HE22 GLN 70 -6.821 5.160 -2.823 575 H GLY 71 H GLY 71 -6.044 5.837 1.578 576 HA2 GLY 71 HA2 GLY 71 -7.981 7.291 0.022 577 HA3 GLY 71 HA3 GLY 71 -8.339 6.358 1.465 578 H ALA 72 H ALA 72 -6.745 7.671 3.271 579 HA ALA 72 HA ALA 72 -8.502 9.784 4.050 580 HB1 ALA 72 HB1 ALA 72 -5.821 9.053 5.223 581 HB2 ALA 72 HB2 ALA 72 -7.366 8.343 5.686 582 HB3 ALA 72 HB3 ALA 72 -7.059 10.055 5.983 583 H LEU 73 H LEU 73 -5.053 9.748 3.150 584 HA LEU 73 HA LEU 73 -4.662 12.496 3.201 585 HB2 LEU 73 HB2 LEU 73 -2.860 10.831 3.153 586 HB3 LEU 73 HB3 LEU 73 -3.277 10.429 1.500 587 HG LEU 73 HG LEU 73 -2.769 12.852 0.937 588 HD11 LEU 73 HD11 LEU 73 -1.231 14.014 2.444 589 HD12 LEU 73 HD12 LEU 73 -1.479 12.753 3.651 590 HD13 LEU 73 HD13 LEU 73 -2.824 13.781 3.160 591 HD21 LEU 73 HD21 LEU 73 -1.309 11.036 0.295 592 HD22 LEU 73 HD22 LEU 73 -0.548 11.050 1.887 593 HD23 LEU 73 HD23 LEU 73 -0.355 12.428 0.803 594 H GLU 74 H GLU 74 -5.653 10.374 0.525 595 HA GLU 74 HA GLU 74 -5.493 12.171 -1.584 596 HB2 GLU 74 HB2 GLU 74 -6.325 9.596 -1.259 597 HB3 GLU 74 HB3 GLU 74 -7.846 10.402 -1.605 598 HG2 GLU 74 HG2 GLU 74 -5.377 10.433 -3.311 599 HG3 GLU 74 HG3 GLU 74 -6.853 9.514 -3.618 600 H ARG 75 H ARG 75 -8.287 11.440 0.445 601 HA ARG 75 HA ARG 75 -10.132 13.216 -0.650 602 HB2 ARG 75 HB2 ARG 75 -10.384 11.337 1.111 603 HB3 ARG 75 HB3 ARG 75 -10.006 12.587 2.283 604 HG2 ARG 75 HG2 ARG 75 -11.928 13.893 1.394 605 HG3 ARG 75 HG3 ARG 75 -12.345 12.495 0.400 606 HD2 ARG 75 HD2 ARG 75 -12.373 12.756 3.388 607 HD3 ARG 75 HD3 ARG 75 -13.674 12.250 2.313 608 HE ARG 75 HE ARG 75 -11.461 10.625 3.286 609 HH11 ARG 75 HH11 ARG 75 -14.243 10.864 1.158 610 HH12 ARG 75 HH12 ARG 75 -14.400 9.153 0.966 611 HH21 ARG 75 HH21 ARG 75 -11.683 8.352 3.040 612 HH22 ARG 75 HH22 ARG 75 -12.946 7.720 2.043 613 H GLU 76 H GLU 76 -7.799 13.663 1.944 614 HA GLU 76 HA GLU 76 -8.628 16.308 2.591 615 HB2 GLU 76 HB2 GLU 76 -7.536 14.825 4.201 616 HB3 GLU 76 HB3 GLU 76 -6.058 14.881 3.250 617 HG2 GLU 76 HG2 GLU 76 -5.836 17.243 3.676 618 HG3 GLU 76 HG3 GLU 76 -7.365 17.249 4.556 619 H LEU 77 H LEU 77 -5.597 15.115 0.988 620 HA LEU 77 HA LEU 77 -4.543 17.551 0.381 621 HB2 LEU 77 HB2 LEU 77 -3.238 16.459 -1.400 622 HB3 LEU 77 HB3 LEU 77 -3.240 15.548 0.087 623 HG LEU 77 HG LEU 77 -4.960 14.020 -0.985 624 HD11 LEU 77 HD11 LEU 77 -4.112 15.476 -3.485 625 HD12 LEU 77 HD12 LEU 77 -5.719 15.514 -2.760 626 HD13 LEU 77 HD13 LEU 77 -5.085 14.005 -3.419 627 HD21 LEU 77 HD21 LEU 77 -2.293 14.204 -2.370 628 HD22 LEU 77 HD22 LEU 77 -3.300 12.766 -2.203 629 HD23 LEU 77 HD23 LEU 77 -2.552 13.493 -0.783 630 H LYS 78 H LYS 78 -7.353 16.238 -0.966 631 HA LYS 78 HA LYS 78 -7.222 17.456 -3.523 632 HB2 LYS 78 HB2 LYS 78 -9.257 16.112 -1.859 633 HB3 LYS 78 HB3 LYS 78 -9.860 17.187 -3.126 634 HG2 LYS 78 HG2 LYS 78 -8.097 14.766 -3.439 635 HG3 LYS 78 HG3 LYS 78 -9.768 14.950 -3.992 636 HD2 LYS 78 HD2 LYS 78 -8.850 16.907 -5.391 637 HD3 LYS 78 HD3 LYS 78 -7.266 16.218 -5.039 638 HE2 LYS 78 HE2 LYS 78 -9.540 14.929 -6.523 639 HE3 LYS 78 HE3 LYS 78 -7.958 15.391 -7.147 640 HZ1 LYS 78 HZ1 LYS 78 -8.540 13.206 -5.213 641 HZ2 LYS 78 HZ2 LYS 78 -6.988 13.704 -5.595 642 HZ3 LYS 78 HZ3 LYS 78 -7.979 13.041 -6.795 643 H ARG 79 H ARG 79 -8.590 18.385 -0.397 644 HA ARG 79 HA ARG 79 -9.425 20.971 -1.476 645 HB2 ARG 79 HB2 ARG 79 -10.010 19.615 1.155 646 HB3 ARG 79 HB3 ARG 79 -10.470 21.275 0.812 647 HG2 ARG 79 HG2 ARG 79 -12.385 19.976 0.404 648 HG3 ARG 79 HG3 ARG 79 -11.732 20.374 -1.187 649 HD2 ARG 79 HD2 ARG 79 -10.552 18.132 -1.094 650 HD3 ARG 79 HD3 ARG 79 -11.567 17.768 0.301 651 HE ARG 79 HE ARG 79 -13.127 18.663 -1.882 652 HH11 ARG 79 HH11 ARG 79 -11.374 15.858 -0.697 653 HH12 ARG 79 HH12 ARG 79 -12.338 14.731 -1.594 654 HH21 ARG 79 HH21 ARG 79 -14.378 17.174 -3.078 655 HH22 ARG 79 HH22 ARG 79 -14.045 15.480 -2.957 656 H THR 80 H THR 80 -6.774 19.679 0.096 657 HA THR 80 HA THR 80 -6.172 21.711 1.963 658 HB THR 80 HB THR 80 -4.288 19.776 0.608 659 HG1 THR 80 HG1 THR 80 -6.057 18.825 1.802 660 HG21 THR 80 HG21 THR 80 -2.852 20.123 2.576 661 HG22 THR 80 HG22 THR 80 -3.988 21.323 3.194 662 HG23 THR 80 HG23 THR 80 -3.095 21.639 1.706 663 H ASP 81 H ASP 81 -5.800 21.635 -1.494 664 HA ASP 81 HA ASP 81 -4.725 24.306 -1.427 665 HB2 ASP 81 HB2 ASP 81 -2.790 22.468 -1.567 666 HB3 ASP 81 HB3 ASP 81 -3.284 22.403 -3.255 667 H LEU 82 H LEU 82 -4.362 24.753 -4.087 668 HA LEU 82 HA LEU 82 -6.422 23.465 -5.622 669 HB2 LEU 82 HB2 LEU 82 -7.522 25.260 -4.119 670 HB3 LEU 82 HB3 LEU 82 -6.702 26.430 -5.123 671 HG LEU 82 HG LEU 82 -9.120 26.042 -5.678 672 HD11 LEU 82 HD11 LEU 82 -8.813 25.983 -8.103 673 HD12 LEU 82 HD12 LEU 82 -7.143 25.464 -7.872 674 HD13 LEU 82 HD13 LEU 82 -7.659 27.054 -7.311 675 HD21 LEU 82 HD21 LEU 82 -8.126 23.388 -6.707 676 HD22 LEU 82 HD22 LEU 82 -9.751 24.046 -6.903 677 HD23 LEU 82 HD23 LEU 82 -9.158 23.624 -5.297 678 H ASN 83 H ASN 83 -6.066 23.748 -7.781 679 HA ASN 83 HA ASN 83 -4.636 25.569 -9.199 680 HB2 ASN 83 HB2 ASN 83 -2.763 25.056 -7.547 681 HB3 ASN 83 HB3 ASN 83 -2.656 23.468 -8.297 682 HD21 ASN 83 HD21 ASN 83 -2.109 26.859 -8.684 683 HD22 ASN 83 HD22 ASN 83 -1.171 26.746 -10.127 684 H ILE 84 H ILE 84 -4.564 24.980 -11.328 685 HA ILE 84 HA ILE 84 -5.924 22.719 -12.237 686 HB ILE 84 HB ILE 84 -3.875 24.382 -13.730 687 HG12 ILE 84 HG12 ILE 84 -6.893 24.617 -13.657 688 HG13 ILE 84 HG13 ILE 84 -5.786 25.669 -12.787 689 HG21 ILE 84 HG21 ILE 84 -4.982 23.590 -15.768 690 HG22 ILE 84 HG22 ILE 84 -6.019 22.546 -14.797 691 HG23 ILE 84 HG23 ILE 84 -4.279 22.256 -14.851 692 HD11 ILE 84 HD11 ILE 84 -5.980 25.379 -15.778 693 HD12 ILE 84 HD12 ILE 84 -4.855 26.433 -14.919 694 HD13 ILE 84 HD13 ILE 84 -6.592 26.725 -14.816 695 H LEU 85 H LEU 85 -2.489 23.273 -11.812 696 HA LEU 85 HA LEU 85 -1.599 20.850 -13.032 697 HB2 LEU 85 HB2 LEU 85 -0.128 22.801 -12.731 698 HB3 LEU 85 HB3 LEU 85 -0.215 22.601 -10.995 699 HG LEU 85 HG LEU 85 0.942 20.433 -11.195 700 HD11 LEU 85 HD11 LEU 85 1.161 21.148 -14.116 701 HD12 LEU 85 HD12 LEU 85 0.219 19.821 -13.433 702 HD13 LEU 85 HD13 LEU 85 1.976 19.804 -13.316 703 HD21 LEU 85 HD21 LEU 85 2.231 22.453 -10.767 704 HD22 LEU 85 HD22 LEU 85 2.359 22.754 -12.499 705 HD23 LEU 85 HD23 LEU 85 3.144 21.344 -11.791 706 H GLU 86 H GLU 86 -2.132 21.832 -9.666 707 HA GLU 86 HA GLU 86 -1.469 19.380 -8.459 708 HB2 GLU 86 HB2 GLU 86 -3.272 21.627 -7.603 709 HB3 GLU 86 HB3 GLU 86 -3.054 20.186 -6.621 710 HG2 GLU 86 HG2 GLU 86 -0.863 22.047 -7.505 711 HG3 GLU 86 HG3 GLU 86 -1.601 22.007 -5.904 712 H ARG 87 H ARG 87 -4.562 20.506 -9.863 713 HA ARG 87 HA ARG 87 -6.129 18.417 -8.908 714 HB2 ARG 87 HB2 ARG 87 -6.818 20.557 -10.173 715 HB3 ARG 87 HB3 ARG 87 -6.464 19.652 -11.635 716 HG2 ARG 87 HG2 ARG 87 -8.155 18.034 -11.107 717 HG3 ARG 87 HG3 ARG 87 -8.446 18.795 -9.539 718 HD2 ARG 87 HD2 ARG 87 -9.035 20.894 -10.808 719 HD3 ARG 87 HD3 ARG 87 -9.000 19.918 -12.276 720 HE ARG 87 HE ARG 87 -10.679 18.601 -10.533 721 HH11 ARG 87 HH11 ARG 87 -10.564 21.765 -12.045 722 HH12 ARG 87 HH12 ARG 87 -12.281 21.971 -12.065 723 HH21 ARG 87 HH21 ARG 87 -12.972 18.879 -10.536 724 HH22 ARG 87 HH22 ARG 87 -13.652 20.319 -11.206 725 H PHE 88 H PHE 88 -4.144 18.732 -11.793 726 HA PHE 88 HA PHE 88 -4.746 16.180 -12.882 727 HB2 PHE 88 HB2 PHE 88 -3.949 17.912 -14.344 728 HB3 PHE 88 HB3 PHE 88 -2.493 18.130 -13.382 729 HD1 PHE 88 HD1 PHE 88 -4.277 15.561 -15.400 730 HD2 PHE 88 HD2 PHE 88 -0.555 17.085 -14.021 731 HE1 PHE 88 HE1 PHE 88 -3.096 13.953 -16.832 732 HE2 PHE 88 HE2 PHE 88 0.639 15.472 -15.451 733 HZ PHE 88 HZ PHE 88 -0.635 13.904 -16.858 734 H ASN 89 H ASN 89 -2.050 17.435 -10.953 735 HA ASN 89 HA ASN 89 -0.441 15.168 -10.862 736 HB2 ASN 89 HB2 ASN 89 -0.895 17.330 -8.800 737 HB3 ASN 89 HB3 ASN 89 0.288 16.047 -8.574 738 HD21 ASN 89 HD21 ASN 89 0.728 18.901 -8.746 739 HD22 ASN 89 HD22 ASN 89 1.787 19.132 -10.098 740 H TYR 90 H TYR 90 -2.980 16.126 -8.582 741 HA TYR 90 HA TYR 90 -2.912 13.904 -6.918 742 HB2 TYR 90 HB2 TYR 90 -5.298 15.580 -7.715 743 HB3 TYR 90 HB3 TYR 90 -5.223 14.516 -6.318 744 HD1 TYR 90 HD1 TYR 90 -2.073 15.629 -6.122 745 HD2 TYR 90 HD2 TYR 90 -6.001 17.253 -5.946 746 HE1 TYR 90 HE1 TYR 90 -1.239 17.480 -4.760 747 HE2 TYR 90 HE2 TYR 90 -5.194 19.098 -4.589 748 HH TYR 90 HH TYR 90 -1.844 19.767 -4.220 749 H GLU 91 H GLU 91 -4.758 14.448 -9.880 750 HA GLU 91 HA GLU 91 -6.227 12.065 -9.908 751 HB2 GLU 91 HB2 GLU 91 -6.779 13.891 -11.386 752 HB3 GLU 91 HB3 GLU 91 -5.219 13.769 -12.188 753 HG2 GLU 91 HG2 GLU 91 -5.804 11.658 -13.145 754 HG3 GLU 91 HG3 GLU 91 -7.288 11.587 -12.199 755 H GLU 92 H GLU 92 -3.002 12.806 -11.189 756 HA GLU 92 HA GLU 92 -2.609 10.269 -12.387 757 HB2 GLU 92 HB2 GLU 92 -1.379 12.440 -12.893 758 HB3 GLU 92 HB3 GLU 92 -0.449 12.142 -11.432 759 HG2 GLU 92 HG2 GLU 92 0.821 11.372 -13.282 760 HG3 GLU 92 HG3 GLU 92 0.243 9.961 -12.396 761 H ALA 93 H ALA 93 -1.952 11.653 -9.221 762 HA ALA 93 HA ALA 93 -0.299 9.609 -8.207 763 HB1 ALA 93 HB1 ALA 93 -0.497 11.827 -7.153 764 HB2 ALA 93 HB2 ALA 93 -0.849 10.533 -6.008 765 HB3 ALA 93 HB3 ALA 93 -2.167 11.465 -6.716 766 H GLN 94 H GLN 94 -3.799 10.186 -8.046 767 HA GLN 94 HA GLN 94 -4.566 7.931 -6.592 768 HB2 GLN 94 HB2 GLN 94 -6.008 9.322 -8.856 769 HB3 GLN 94 HB3 GLN 94 -6.742 8.136 -7.793 770 HG2 GLN 94 HG2 GLN 94 -6.383 9.610 -5.892 771 HG3 GLN 94 HG3 GLN 94 -5.617 10.791 -6.952 772 HE21 GLN 94 HE21 GLN 94 -8.606 9.258 -6.073 773 HE22 GLN 94 HE22 GLN 94 -9.653 10.396 -6.837 774 H THR 95 H THR 95 -3.850 8.370 -9.974 775 HA THR 95 HA THR 95 -4.824 5.951 -10.970 776 HB THR 95 HB THR 95 -2.454 7.517 -12.008 777 HG1 THR 95 HG1 THR 95 -4.471 8.732 -11.794 778 HG21 THR 95 HG21 THR 95 -2.984 6.479 -14.148 779 HG22 THR 95 HG22 THR 95 -4.338 5.614 -13.417 780 HG23 THR 95 HG23 THR 95 -2.685 5.233 -12.936 781 H LEU 96 H LEU 96 -1.451 6.769 -9.863 782 HA LEU 96 HA LEU 96 -0.522 4.162 -10.424 783 HB2 LEU 96 HB2 LEU 96 0.636 6.316 -8.657 784 HB3 LEU 96 HB3 LEU 96 1.473 4.864 -9.162 785 HG LEU 96 HG LEU 96 0.517 7.043 -11.020 786 HD11 LEU 96 HD11 LEU 96 2.885 7.589 -11.266 787 HD12 LEU 96 HD12 LEU 96 3.291 6.387 -10.040 788 HD13 LEU 96 HD13 LEU 96 2.341 7.808 -9.602 789 HD21 LEU 96 HD21 LEU 96 1.907 5.868 -12.682 790 HD22 LEU 96 HD22 LEU 96 0.555 4.890 -12.117 791 HD23 LEU 96 HD23 LEU 96 2.181 4.577 -11.512 792 H SER 97 H SER 97 -1.762 5.789 -7.588 793 HA SER 97 HA SER 97 -1.065 3.937 -5.640 794 HB2 SER 97 HB2 SER 97 -3.527 5.683 -5.763 795 HB3 SER 97 HB3 SER 97 -2.868 4.918 -4.314 796 HG SER 97 HG SER 97 -1.882 7.082 -5.807 797 H LYS 98 H LYS 98 -4.062 4.166 -7.559 798 HA LYS 98 HA LYS 98 -5.294 1.908 -6.451 799 HB2 LYS 98 HB2 LYS 98 -5.664 3.204 -9.145 800 HB3 LYS 98 HB3 LYS 98 -6.704 1.938 -8.507 801 HG2 LYS 98 HG2 LYS 98 -7.276 3.407 -6.613 802 HG3 LYS 98 HG3 LYS 98 -6.294 4.680 -7.344 803 HD2 LYS 98 HD2 LYS 98 -7.704 4.566 -9.361 804 HD3 LYS 98 HD3 LYS 98 -8.711 3.363 -8.559 805 HE2 LYS 98 HE2 LYS 98 -9.265 4.973 -6.818 806 HE3 LYS 98 HE3 LYS 98 -8.237 6.177 -7.596 807 HZ1 LYS 98 HZ1 LYS 98 -9.663 6.106 -9.527 808 HZ2 LYS 98 HZ2 LYS 98 -10.569 6.484 -8.147 809 HZ3 LYS 98 HZ3 LYS 98 -10.640 4.931 -8.806 810 H ILE 99 H ILE 99 -3.114 2.275 -9.245 811 HA ILE 99 HA ILE 99 -3.429 -0.330 -10.233 812 HB ILE 99 HB ILE 99 -1.037 1.519 -10.448 813 HG12 ILE 99 HG12 ILE 99 -3.277 0.943 -12.402 814 HG13 ILE 99 HG13 ILE 99 -3.150 2.392 -11.413 815 HG21 ILE 99 HG21 ILE 99 -0.360 0.124 -12.360 816 HG22 ILE 99 HG22 ILE 99 -1.693 -0.979 -12.016 817 HG23 ILE 99 HG23 ILE 99 -0.379 -0.797 -10.855 818 HD11 ILE 99 HD11 ILE 99 -2.425 2.802 -13.696 819 HD12 ILE 99 HD12 ILE 99 -1.208 1.535 -13.547 820 HD13 ILE 99 HD13 ILE 99 -1.085 2.994 -12.566 821 H LEU 100 H LEU 100 -1.228 1.079 -7.850 822 HA LEU 100 HA LEU 100 0.380 -1.159 -7.378 823 HB2 LEU 100 HB2 LEU 100 0.663 1.276 -6.585 824 HB3 LEU 100 HB3 LEU 100 -0.423 0.859 -5.279 825 HG LEU 100 HG LEU 100 2.000 0.847 -4.661 826 HD11 LEU 100 HD11 LEU 100 0.423 -0.407 -3.318 827 HD12 LEU 100 HD12 LEU 100 1.964 -1.258 -3.419 828 HD13 LEU 100 HD13 LEU 100 0.591 -1.798 -4.385 829 HD21 LEU 100 HD21 LEU 100 3.414 -0.987 -5.389 830 HD22 LEU 100 HD22 LEU 100 2.879 -0.033 -6.771 831 HD23 LEU 100 HD23 LEU 100 2.129 -1.591 -6.430 832 H LEU 101 H LEU 101 -2.598 -0.059 -5.788 833 HA LEU 101 HA LEU 101 -2.852 -2.122 -3.910 834 HB2 LEU 101 HB2 LEU 101 -5.018 -0.552 -5.317 835 HB3 LEU 101 HB3 LEU 101 -5.270 -1.548 -3.902 836 HG LEU 101 HG LEU 101 -3.599 0.977 -4.013 837 HD11 LEU 101 HD11 LEU 101 -5.340 1.906 -2.594 838 HD12 LEU 101 HD12 LEU 101 -6.265 0.412 -2.750 839 HD13 LEU 101 HD13 LEU 101 -5.968 1.416 -4.167 840 HD21 LEU 101 HD21 LEU 101 -4.270 -0.844 -1.700 841 HD22 LEU 101 HD22 LEU 101 -3.463 0.720 -1.579 842 HD23 LEU 101 HD23 LEU 101 -2.675 -0.616 -2.419 843 H LYS 102 H LYS 102 -3.931 -1.902 -7.266 844 HA LYS 102 HA LYS 102 -5.416 -4.291 -7.324 845 HB2 LYS 102 HB2 LYS 102 -4.056 -2.706 -9.492 846 HB3 LYS 102 HB3 LYS 102 -5.002 -4.150 -9.830 847 HG2 LYS 102 HG2 LYS 102 -7.000 -3.137 -9.104 848 HG3 LYS 102 HG3 LYS 102 -6.135 -1.820 -8.314 849 HD2 LYS 102 HD2 LYS 102 -7.202 -1.117 -10.427 850 HD3 LYS 102 HD3 LYS 102 -5.450 -0.930 -10.465 851 HE2 LYS 102 HE2 LYS 102 -6.287 -1.851 -12.560 852 HE3 LYS 102 HE3 LYS 102 -5.248 -3.005 -11.729 853 HZ1 LYS 102 HZ1 LYS 102 -8.218 -3.065 -11.584 854 HZ2 LYS 102 HZ2 LYS 102 -7.139 -4.247 -11.031 855 HZ3 LYS 102 HZ3 LYS 102 -7.306 -3.964 -12.684 856 H ASP 103 H ASP 103 -1.971 -3.679 -8.287 857 HA ASP 103 HA ASP 103 -1.493 -6.366 -9.016 858 HB2 ASP 103 HB2 ASP 103 -0.085 -4.295 -9.611 859 HB3 ASP 103 HB3 ASP 103 0.604 -4.443 -8.001 860 H LEU 104 H LEU 104 -1.227 -4.597 -5.921 861 HA LEU 104 HA LEU 104 0.255 -6.482 -4.508 862 HB2 LEU 104 HB2 LEU 104 -0.361 -4.062 -3.935 863 HB3 LEU 104 HB3 LEU 104 -1.911 -4.700 -3.423 864 HG LEU 104 HG LEU 104 -0.778 -6.068 -1.714 865 HD11 LEU 104 HD11 LEU 104 1.366 -6.390 -2.762 866 HD12 LEU 104 HD12 LEU 104 1.589 -5.593 -1.206 867 HD13 LEU 104 HD13 LEU 104 1.695 -4.659 -2.697 868 HD21 LEU 104 HD21 LEU 104 -0.160 -4.220 -0.241 869 HD22 LEU 104 HD22 LEU 104 -1.626 -3.852 -1.151 870 HD23 LEU 104 HD23 LEU 104 -0.088 -3.134 -1.628 871 H LYS 105 H LYS 105 -3.228 -5.907 -4.703 872 HA LYS 105 HA LYS 105 -3.949 -8.122 -3.168 873 HB2 LYS 105 HB2 LYS 105 -5.336 -6.068 -3.843 874 HB3 LYS 105 HB3 LYS 105 -5.726 -6.990 -5.290 875 HG2 LYS 105 HG2 LYS 105 -6.833 -8.643 -4.081 876 HG3 LYS 105 HG3 LYS 105 -6.115 -8.121 -2.555 877 HD2 LYS 105 HD2 LYS 105 -7.339 -5.991 -2.769 878 HD3 LYS 105 HD3 LYS 105 -8.149 -6.637 -4.198 879 HE2 LYS 105 HE2 LYS 105 -9.577 -6.909 -2.264 880 HE3 LYS 105 HE3 LYS 105 -9.038 -8.491 -2.827 881 HZ1 LYS 105 HZ1 LYS 105 -8.933 -8.297 -0.418 882 HZ2 LYS 105 HZ2 LYS 105 -7.877 -6.989 -0.537 883 HZ3 LYS 105 HZ3 LYS 105 -7.382 -8.522 -1.052 884 H GLU 106 H GLU 106 -3.129 -7.880 -6.555 885 HA GLU 106 HA GLU 106 -4.193 -10.391 -7.316 886 HB2 GLU 106 HB2 GLU 106 -3.332 -8.657 -8.941 887 HB3 GLU 106 HB3 GLU 106 -1.698 -9.118 -8.474 888 HG2 GLU 106 HG2 GLU 106 -2.143 -11.405 -9.215 889 HG3 GLU 106 HG3 GLU 106 -3.758 -10.927 -9.716 890 H THR 107 H THR 107 -1.266 -9.384 -5.735 891 HA THR 107 HA THR 107 0.097 -11.866 -5.716 892 HB THR 107 HB THR 107 0.183 -9.774 -3.522 893 HG1 THR 107 HG1 THR 107 1.947 -9.831 -5.733 894 HG21 THR 107 HG21 THR 107 1.334 -11.894 -3.022 895 HG22 THR 107 HG22 THR 107 2.479 -10.566 -3.209 896 HG23 THR 107 HG23 THR 107 2.265 -11.733 -4.513 897 H GLU 108 H GLU 108 -2.122 -10.319 -3.380 898 HA GLU 108 HA GLU 108 -2.404 -12.238 -1.456 899 HB2 GLU 108 HB2 GLU 108 -3.469 -10.037 -1.386 900 HB3 GLU 108 HB3 GLU 108 -4.555 -10.507 -2.684 901 HG2 GLU 108 HG2 GLU 108 -5.353 -12.349 -1.115 902 HG3 GLU 108 HG3 GLU 108 -4.510 -11.462 0.154 903 H GLN 109 H GLN 109 -4.212 -11.998 -4.492 904 HA GLN 109 HA GLN 109 -5.838 -14.231 -4.168 905 HB2 GLN 109 HB2 GLN 109 -6.219 -12.593 -5.918 906 HB3 GLN 109 HB3 GLN 109 -4.711 -13.040 -6.704 907 HG2 GLN 109 HG2 GLN 109 -6.443 -14.073 -7.926 908 HG3 GLN 109 HG3 GLN 109 -5.653 -15.335 -6.982 909 HE21 GLN 109 HE21 GLN 109 -7.405 -16.678 -7.049 910 HE22 GLN 109 HE22 GLN 109 -8.852 -16.375 -6.153 911 H LYS 110 H LYS 110 -2.588 -13.967 -5.532 912 HA LYS 110 HA LYS 110 -2.485 -16.681 -6.374 913 HB2 LYS 110 HB2 LYS 110 -0.314 -14.623 -6.042 914 HB3 LYS 110 HB3 LYS 110 -0.054 -16.224 -6.726 915 HG2 LYS 110 HG2 LYS 110 -1.543 -15.752 -8.545 916 HG3 LYS 110 HG3 LYS 110 -1.998 -14.208 -7.823 917 HD2 LYS 110 HD2 LYS 110 0.340 -13.448 -8.065 918 HD3 LYS 110 HD3 LYS 110 0.725 -14.974 -8.868 919 HE2 LYS 110 HE2 LYS 110 -0.789 -14.481 -10.656 920 HE3 LYS 110 HE3 LYS 110 -1.387 -13.054 -9.819 921 HZ1 LYS 110 HZ1 LYS 110 0.978 -12.220 -9.968 922 HZ2 LYS 110 HZ2 LYS 110 0.095 -12.258 -11.397 923 HZ3 LYS 110 HZ3 LYS 110 1.251 -13.457 -11.089 924 H VAL 111 H VAL 111 -1.161 -14.987 -3.545 925 HA VAL 111 HA VAL 111 0.199 -17.224 -2.510 926 HB VAL 111 HB VAL 111 0.702 -14.968 -1.676 927 HG11 VAL 111 HG11 VAL 111 -0.755 -13.802 -0.121 928 HG12 VAL 111 HG12 VAL 111 -1.984 -15.051 -0.326 929 HG13 VAL 111 HG13 VAL 111 -1.533 -14.027 -1.688 930 HG21 VAL 111 HG21 VAL 111 0.830 -15.455 0.723 931 HG22 VAL 111 HG22 VAL 111 1.294 -16.843 -0.259 932 HG23 VAL 111 HG23 VAL 111 -0.296 -16.794 0.504 933 H LYS 112 H LYS 112 -3.095 -16.033 -1.913 934 HA LYS 112 HA LYS 112 -3.787 -18.154 -0.164 935 HB2 LYS 112 HB2 LYS 112 -5.919 -17.235 -0.130 936 HB3 LYS 112 HB3 LYS 112 -4.936 -15.848 -0.561 937 HG2 LYS 112 HG2 LYS 112 -5.507 -16.291 -2.957 938 HG3 LYS 112 HG3 LYS 112 -6.649 -17.510 -2.390 939 HD2 LYS 112 HD2 LYS 112 -7.556 -15.565 -0.900 940 HD3 LYS 112 HD3 LYS 112 -6.716 -14.544 -2.075 941 HE2 LYS 112 HE2 LYS 112 -9.047 -14.833 -2.697 942 HE3 LYS 112 HE3 LYS 112 -7.977 -15.574 -3.887 943 HZ1 LYS 112 HZ1 LYS 112 -8.440 -17.729 -2.946 944 HZ2 LYS 112 HZ2 LYS 112 -9.900 -16.973 -3.323 945 HZ3 LYS 112 HZ3 LYS 112 -9.377 -17.048 -1.721 946 H ASP 113 H ASP 113 -3.524 -17.895 -3.569 947 HA ASP 113 HA ASP 113 -5.311 -19.968 -4.326 948 HB2 ASP 113 HB2 ASP 113 -4.544 -18.258 -5.915 949 HB3 ASP 113 HB3 ASP 113 -2.904 -18.882 -5.800 950 H ILE 114 H ILE 114 -1.909 -19.945 -3.293 951 HA ILE 114 HA ILE 114 -1.345 -22.589 -4.153 952 HB ILE 114 HB ILE 114 -0.014 -20.527 -2.457 953 HG12 ILE 114 HG12 ILE 114 1.993 -21.266 -3.753 954 HG13 ILE 114 HG13 ILE 114 0.973 -22.438 -4.571 955 HG21 ILE 114 HG21 ILE 114 0.657 -23.436 -2.129 956 HG22 ILE 114 HG22 ILE 114 0.086 -22.319 -0.890 957 HG23 ILE 114 HG23 ILE 114 1.683 -22.101 -1.605 958 HD11 ILE 114 HD11 ILE 114 0.616 -19.450 -4.655 959 HD12 ILE 114 HD12 ILE 114 -0.386 -20.637 -5.493 960 HD13 ILE 114 HD13 ILE 114 1.314 -20.450 -5.929 961 H GLN 115 H GLN 115 -2.298 -24.416 -3.331 962 HA GLN 115 HA GLN 115 -3.544 -24.407 -0.783 963 HB2 GLN 115 HB2 GLN 115 -3.910 -26.804 -1.227 964 HB3 GLN 115 HB3 GLN 115 -4.429 -25.791 -2.567 965 HG2 GLN 115 HG2 GLN 115 -2.304 -26.304 -3.712 966 HG3 GLN 115 HG3 GLN 115 -1.906 -27.403 -2.394 967 HE21 GLN 115 HE21 GLN 115 -1.854 -29.188 -3.734 968 HE22 GLN 115 HE22 GLN 115 -3.282 -29.887 -4.413 969 H THR 116 H THR 116 -2.656 -24.748 1.024 970 HA THR 116 HA THR 116 0.033 -25.941 1.114 971 HB THR 116 HB THR 116 0.311 -24.757 3.308 972 HG1 THR 116 HG1 THR 116 -1.402 -22.795 2.979 973 HG21 THR 116 HG21 THR 116 1.275 -23.960 1.210 974 HG22 THR 116 HG22 THR 116 0.746 -22.597 2.210 975 HG23 THR 116 HG23 THR 116 -0.232 -23.124 0.837 976 H GLN 117 H GLN 117 0.605 -26.762 3.379 977 HA GLN 117 HA GLN 117 0.527 -28.557 4.732 978 HB2 GLN 117 HB2 GLN 117 -1.002 -27.005 5.923 979 HB3 GLN 117 HB3 GLN 117 -2.360 -27.752 5.097 980 HG2 GLN 117 HG2 GLN 117 -2.012 -29.812 6.202 981 HG3 GLN 117 HG3 GLN 117 -0.459 -29.280 6.842 982 HE21 GLN 117 HE21 GLN 117 -1.049 -29.665 8.932 983 HE22 GLN 117 HE22 GLN 117 -2.187 -28.681 9.788 Start of MODEL 14 1 H GLN 1 H1 GLN 1 13.308 9.745 35.012 2 HA GLN 1 HA GLN 1 14.644 7.876 36.880 3 HB2 GLN 1 HB2 GLN 1 14.776 8.108 33.858 4 HB3 GLN 1 HB3 GLN 1 15.893 7.161 34.816 5 HG2 GLN 1 HG2 GLN 1 14.319 5.657 33.904 6 HG3 GLN 1 HG3 GLN 1 13.927 5.818 35.612 7 HE21 GLN 1 HE21 GLN 1 11.980 6.682 36.204 8 HE22 GLN 1 HE22 GLN 1 10.740 7.083 35.064 9 H GLU 2 H GLU 2 15.205 10.266 34.301 10 HA GLU 2 HA GLU 2 17.377 11.392 35.921 11 HB2 GLU 2 HB2 GLU 2 18.315 10.063 34.057 12 HB3 GLU 2 HB3 GLU 2 17.378 11.014 32.914 13 HG2 GLU 2 HG2 GLU 2 19.724 11.705 32.997 14 HG3 GLU 2 HG3 GLU 2 18.632 13.001 33.483 15 H HIS 3 H HIS 3 17.740 13.653 35.560 16 HA HIS 3 HA HIS 3 15.246 15.058 35.067 17 HB2 HIS 3 HB2 HIS 3 17.939 16.024 36.049 18 HB3 HIS 3 HB3 HIS 3 16.541 17.068 35.839 19 HD1 HIS 3 HD1 HIS 3 14.373 16.282 37.364 20 HD2 HIS 3 HD2 HIS 3 18.135 14.936 38.508 21 HE1 HIS 3 HE1 HIS 3 14.148 15.606 39.770 22 HE2 HIS 3 HE2 HIS 3 16.413 14.715 40.419 23 H LYS 4 H LYS 4 15.100 14.709 32.790 24 HA LYS 4 HA LYS 4 16.863 16.506 31.272 25 HB2 LYS 4 HB2 LYS 4 16.875 15.090 29.414 26 HB3 LYS 4 HB3 LYS 4 17.114 13.990 30.767 27 HG2 LYS 4 HG2 LYS 4 14.454 14.475 29.415 28 HG3 LYS 4 HG3 LYS 4 15.556 13.172 28.980 29 HD2 LYS 4 HD2 LYS 4 15.323 12.182 31.163 30 HD3 LYS 4 HD3 LYS 4 14.384 13.562 31.733 31 HE2 LYS 4 HE2 LYS 4 12.925 11.677 31.214 32 HE3 LYS 4 HE3 LYS 4 12.616 13.033 30.137 33 HZ1 LYS 4 HZ1 LYS 4 12.638 10.996 28.902 34 HZ2 LYS 4 HZ2 LYS 4 14.175 10.591 29.478 35 HZ3 LYS 4 HZ3 LYS 4 13.980 11.911 28.443 36 HA PRO 5 HA PRO 5 13.103 18.311 29.803 37 HB2 PRO 5 HB2 PRO 5 14.066 19.102 27.256 38 HB3 PRO 5 HB3 PRO 5 14.096 20.057 28.735 39 HG2 PRO 5 HG2 PRO 5 16.330 18.984 27.375 40 HG3 PRO 5 HG3 PRO 5 16.323 19.741 28.973 41 HD2 PRO 5 HD2 PRO 5 16.390 16.883 28.227 42 HD3 PRO 5 HD3 PRO 5 16.990 17.690 29.685 43 H LYS 6 H LYS 6 14.236 17.536 26.589 44 HA LYS 6 HA LYS 6 13.119 16.578 24.849 45 HB2 LYS 6 HB2 LYS 6 13.521 14.345 26.820 46 HB3 LYS 6 HB3 LYS 6 12.927 14.062 25.189 47 HG2 LYS 6 HG2 LYS 6 15.524 15.442 25.823 48 HG3 LYS 6 HG3 LYS 6 15.374 13.721 25.458 49 HD2 LYS 6 HD2 LYS 6 14.500 14.224 23.257 50 HD3 LYS 6 HD3 LYS 6 14.489 15.948 23.619 51 HE2 LYS 6 HE2 LYS 6 16.958 14.232 23.575 52 HE3 LYS 6 HE3 LYS 6 16.405 15.220 22.223 53 HZ1 LYS 6 HZ1 LYS 6 17.138 16.250 24.913 54 HZ2 LYS 6 HZ2 LYS 6 16.644 17.182 23.593 55 HZ3 LYS 6 HZ3 LYS 6 18.108 16.338 23.532 56 H LYS 7 H LYS 7 11.180 17.929 25.326 57 HA LYS 7 HA LYS 7 8.935 16.349 26.314 58 HB2 LYS 7 HB2 LYS 7 7.659 18.450 26.336 59 HB3 LYS 7 HB3 LYS 7 9.136 18.574 27.270 60 HG2 LYS 7 HG2 LYS 7 9.060 20.604 26.157 61 HG3 LYS 7 HG3 LYS 7 10.137 19.651 25.141 62 HD2 LYS 7 HD2 LYS 7 8.566 20.878 23.756 63 HD3 LYS 7 HD3 LYS 7 8.236 19.151 23.640 64 HE2 LYS 7 HE2 LYS 7 6.399 19.393 25.245 65 HE3 LYS 7 HE3 LYS 7 6.744 21.114 25.387 66 HZ1 LYS 7 HZ1 LYS 7 5.887 19.722 22.914 67 HZ2 LYS 7 HZ2 LYS 7 6.204 21.371 23.058 68 HZ3 LYS 7 HZ3 LYS 7 4.906 20.692 23.894 69 H ASP 8 H ASP 8 10.390 17.103 23.410 70 HA ASP 8 HA ASP 8 7.926 16.965 21.858 71 HB2 ASP 8 HB2 ASP 8 9.868 18.513 21.255 72 HB3 ASP 8 HB3 ASP 8 10.739 17.061 20.765 73 H ASP 9 H ASP 9 7.255 15.167 20.772 74 HA ASP 9 HA ASP 9 8.781 12.715 21.295 75 HB2 ASP 9 HB2 ASP 9 5.895 12.937 20.439 76 HB3 ASP 9 HB3 ASP 9 6.706 11.542 21.137 77 H PHE 10 H PHE 10 8.910 14.781 18.943 78 HA PHE 10 HA PHE 10 9.315 14.766 16.744 79 HB2 PHE 10 HB2 PHE 10 9.386 11.771 17.129 80 HB3 PHE 10 HB3 PHE 10 9.643 12.521 15.556 81 HD1 PHE 10 HD1 PHE 10 10.908 12.471 19.031 82 HD2 PHE 10 HD2 PHE 10 11.751 13.299 14.955 83 HE1 PHE 10 HE1 PHE 10 13.288 12.789 19.598 84 HE2 PHE 10 HE2 PHE 10 14.129 13.622 15.502 85 HZ PHE 10 HZ PHE 10 14.900 13.366 17.828 86 H ARG 11 H ARG 11 7.783 15.566 15.601 87 HA ARG 11 HA ARG 11 5.313 14.016 15.212 88 HB2 ARG 11 HB2 ARG 11 5.419 16.928 15.985 89 HB3 ARG 11 HB3 ARG 11 3.955 16.026 15.605 90 HG2 ARG 11 HG2 ARG 11 4.263 14.609 17.504 91 HG3 ARG 11 HG3 ARG 11 5.846 15.304 17.828 92 HD2 ARG 11 HD2 ARG 11 4.735 17.483 18.243 93 HD3 ARG 11 HD3 ARG 11 3.176 16.680 18.045 94 HE ARG 11 HE ARG 11 4.534 15.206 19.924 95 HH11 ARG 11 HH11 ARG 11 3.372 18.503 19.655 96 HH12 ARG 11 HH12 ARG 11 3.217 18.724 21.364 97 HH21 ARG 11 HH21 ARG 11 4.384 15.499 22.195 98 HH22 ARG 11 HH22 ARG 11 3.791 17.006 22.819 99 H ASN 12 H ASN 12 5.001 13.697 13.152 100 HA ASN 12 HA ASN 12 6.131 15.502 11.183 101 HB2 ASN 12 HB2 ASN 12 6.334 13.086 10.814 102 HB3 ASN 12 HB3 ASN 12 4.584 12.917 10.850 103 HD21 ASN 12 HD21 ASN 12 4.541 12.037 8.795 104 HD22 ASN 12 HD22 ASN 12 4.809 12.976 7.371 105 H GLU 13 H GLU 13 4.974 17.340 11.197 106 HA GLU 13 HA GLU 13 2.177 17.140 10.353 107 HB2 GLU 13 HB2 GLU 13 3.205 19.055 12.454 108 HB3 GLU 13 HB3 GLU 13 1.579 19.039 11.792 109 HG2 GLU 13 HG2 GLU 13 1.344 16.714 12.689 110 HG3 GLU 13 HG3 GLU 13 2.885 16.956 13.515 111 H PHE 14 H PHE 14 2.291 17.843 8.381 112 HA PHE 14 HA PHE 14 2.697 19.094 6.537 113 HB2 PHE 14 HB2 PHE 14 2.983 21.310 8.579 114 HB3 PHE 14 HB3 PHE 14 2.841 21.558 6.842 115 HD1 PHE 14 HD2 PHE 14 0.737 20.874 5.682 116 HD2 PHE 14 HD1 PHE 14 1.081 20.929 9.921 117 HE1 PHE 14 HE2 PHE 14 -1.714 20.857 5.877 118 HE2 PHE 14 HE1 PHE 14 -1.370 20.905 10.126 119 HZ PHE 14 HZ PHE 14 -2.771 20.873 8.102 120 H ASP 15 H ASP 15 5.038 18.018 8.297 121 HA ASP 15 HA ASP 15 7.308 19.575 7.543 122 HB2 ASP 15 HB2 ASP 15 7.069 16.669 8.389 123 HB3 ASP 15 HB3 ASP 15 8.605 17.475 8.105 124 H HIS 16 H HIS 16 5.358 17.195 6.073 125 HA HIS 16 HA HIS 16 6.988 17.312 3.629 126 HB2 HIS 16 HB2 HIS 16 5.249 15.040 4.655 127 HB3 HIS 16 HB3 HIS 16 5.923 15.098 3.031 128 HD1 HIS 16 HD1 HIS 16 8.348 14.385 2.744 129 HD2 HIS 16 HD2 HIS 16 7.191 14.636 6.731 130 HE1 HIS 16 HE1 HIS 16 10.221 13.358 4.056 131 HE2 HIS 16 HE2 HIS 16 9.490 13.472 6.458 132 H LEU 17 H LEU 17 5.362 16.817 1.649 133 HA LEU 17 HA LEU 17 3.053 18.543 2.185 134 HB2 LEU 17 HB2 LEU 17 4.684 18.224 -0.330 135 HB3 LEU 17 HB3 LEU 17 3.119 19.002 -0.311 136 HG LEU 17 HG LEU 17 4.754 20.720 -0.310 137 HD11 LEU 17 HD11 LEU 17 2.853 21.125 1.144 138 HD12 LEU 17 HD12 LEU 17 4.308 21.921 1.740 139 HD13 LEU 17 HD13 LEU 17 3.739 20.439 2.506 140 HD21 LEU 17 HD21 LEU 17 6.519 20.904 1.394 141 HD22 LEU 17 HD22 LEU 17 6.695 19.459 0.401 142 HD23 LEU 17 HD23 LEU 17 6.045 19.331 2.036 143 H LEU 18 H LEU 18 1.363 18.188 0.286 144 HA LEU 18 HA LEU 18 0.090 15.786 0.906 145 HB2 LEU 18 HB2 LEU 18 -0.387 17.600 -1.454 146 HB3 LEU 18 HB3 LEU 18 -1.493 16.367 -0.883 147 HG LEU 18 HG LEU 18 -0.649 18.787 0.713 148 HD11 LEU 18 HD11 LEU 18 -1.981 19.469 -1.176 149 HD12 LEU 18 HD12 LEU 18 -2.939 19.582 0.300 150 HD13 LEU 18 HD13 LEU 18 -3.185 18.235 -0.811 151 HD21 LEU 18 HD21 LEU 18 -1.246 16.902 2.125 152 HD22 LEU 18 HD22 LEU 18 -2.750 16.681 1.231 153 HD23 LEU 18 HD23 LEU 18 -2.502 18.138 2.194 154 H ILE 19 H ILE 19 1.302 16.663 -2.353 155 HA ILE 19 HA ILE 19 1.093 14.005 -3.286 156 HB ILE 19 HB ILE 19 2.507 16.425 -4.419 157 HG12 ILE 19 HG12 ILE 19 0.060 16.434 -4.468 158 HG13 ILE 19 HG13 ILE 19 0.717 16.315 -6.097 159 HG21 ILE 19 HG21 ILE 19 3.774 14.445 -5.141 160 HG22 ILE 19 HG22 ILE 19 2.897 15.169 -6.488 161 HG23 ILE 19 HG23 ILE 19 2.281 13.706 -5.723 162 HD11 ILE 19 HD11 ILE 19 0.277 13.895 -6.079 163 HD12 ILE 19 HD12 ILE 19 -1.189 14.839 -5.834 164 HD13 ILE 19 HD13 ILE 19 -0.421 14.046 -4.467 165 H GLU 20 H GLU 20 3.698 15.889 -1.929 166 HA GLU 20 HA GLU 20 5.861 14.235 -2.411 167 HB2 GLU 20 HB2 GLU 20 5.187 16.082 -0.141 168 HB3 GLU 20 HB3 GLU 20 6.692 15.179 -0.158 169 HG2 GLU 20 HG2 GLU 20 6.851 17.524 -1.002 170 HG3 GLU 20 HG3 GLU 20 7.444 16.295 -2.113 171 H GLN 21 H GLN 21 3.553 14.105 0.307 172 HA GLN 21 HA GLN 21 4.796 11.899 1.564 173 HB2 GLN 21 HB2 GLN 21 3.227 13.404 2.733 174 HB3 GLN 21 HB3 GLN 21 1.911 12.784 1.745 175 HG2 GLN 21 HG2 GLN 21 2.163 10.589 2.708 176 HG3 GLN 21 HG3 GLN 21 3.581 11.115 3.612 177 HE21 GLN 21 HE21 GLN 21 2.671 10.582 5.569 178 HE22 GLN 21 HE22 GLN 21 1.388 11.500 6.281 179 H ALA 22 H ALA 22 1.953 12.111 -0.597 180 HA ALA 22 HA ALA 22 1.370 9.428 -0.823 181 HB1 ALA 22 HB1 ALA 22 0.361 9.975 -2.982 182 HB2 ALA 22 HB2 ALA 22 1.215 11.516 -2.996 183 HB3 ALA 22 HB3 ALA 22 -0.016 11.203 -1.776 184 H ASN 23 H ASN 23 3.695 11.350 -2.596 185 HA ASN 23 HA ASN 23 4.575 9.451 -4.463 186 HB2 ASN 23 HB2 ASN 23 5.057 11.936 -4.475 187 HB3 ASN 23 HB3 ASN 23 6.261 11.640 -3.228 188 HD21 ASN 23 HD21 ASN 23 5.444 11.290 -6.571 189 HD22 ASN 23 HD22 ASN 23 7.004 10.813 -7.114 190 H HIS 24 H HIS 24 5.703 10.241 -1.206 191 HA HIS 24 HA HIS 24 7.835 8.397 -1.163 192 HB2 HIS 24 HB2 HIS 24 7.673 10.215 0.481 193 HB3 HIS 24 HB3 HIS 24 6.212 9.502 1.146 194 HD1 HIS 24 HD1 HIS 24 6.618 8.207 3.220 195 HD2 HIS 24 HD2 HIS 24 9.959 8.223 0.743 196 HE1 HIS 24 HE1 HIS 24 8.394 6.951 4.469 197 HE2 HIS 24 HE2 HIS 24 10.413 6.992 2.975 198 H ALA 25 H ALA 25 4.385 8.086 -0.088 199 HA ALA 25 HA ALA 25 4.634 5.521 0.907 200 HB1 ALA 25 HB1 ALA 25 2.224 6.876 -0.281 201 HB2 ALA 25 HB2 ALA 25 2.777 7.039 1.387 202 HB3 ALA 25 HB3 ALA 25 2.213 5.477 0.792 203 H ILE 26 H ILE 26 3.685 6.626 -2.375 204 HA ILE 26 HA ILE 26 3.122 4.006 -3.278 205 HB ILE 26 HB ILE 26 3.261 4.894 -5.589 206 HG12 ILE 26 HG12 ILE 26 3.989 7.504 -4.245 207 HG13 ILE 26 HG13 ILE 26 5.080 6.529 -5.222 208 HG21 ILE 26 HG21 ILE 26 1.679 6.577 -3.655 209 HG22 ILE 26 HG22 ILE 26 1.184 5.039 -4.363 210 HG23 ILE 26 HG23 ILE 26 1.382 6.461 -5.391 211 HD11 ILE 26 HD11 ILE 26 3.648 6.895 -7.174 212 HD12 ILE 26 HD12 ILE 26 4.213 8.417 -6.486 213 HD13 ILE 26 HD13 ILE 26 2.563 7.872 -6.186 214 H GLU 27 H GLU 27 6.087 5.915 -3.285 215 HA GLU 27 HA GLU 27 7.648 4.104 -4.779 216 HB2 GLU 27 HB2 GLU 27 8.235 6.276 -2.825 217 HB3 GLU 27 HB3 GLU 27 9.521 5.142 -3.214 218 HG2 GLU 27 HG2 GLU 27 7.991 6.764 -5.231 219 HG3 GLU 27 HG3 GLU 27 9.581 7.178 -4.586 220 H LYS 28 H LYS 28 6.899 4.336 -1.339 221 HA LYS 28 HA LYS 28 8.569 2.221 -0.486 222 HB2 LYS 28 HB2 LYS 28 7.316 4.075 0.869 223 HB3 LYS 28 HB3 LYS 28 5.969 2.951 0.849 224 HG2 LYS 28 HG2 LYS 28 8.692 2.240 1.909 225 HG3 LYS 28 HG3 LYS 28 7.413 2.923 2.908 226 HD2 LYS 28 HD2 LYS 28 5.978 1.006 2.348 227 HD3 LYS 28 HD3 LYS 28 7.282 0.328 1.368 228 HE2 LYS 28 HE2 LYS 28 8.705 0.191 3.337 229 HE3 LYS 28 HE3 LYS 28 7.435 0.909 4.322 230 HZ1 LYS 28 HZ1 LYS 28 7.345 -1.728 2.960 231 HZ2 LYS 28 HZ2 LYS 28 6.037 -1.021 3.757 232 HZ3 LYS 28 HZ3 LYS 28 7.422 -1.436 4.622 233 H GLY 29 H GLY 29 5.149 2.412 -1.426 234 HA2 GLY 29 HA2 GLY 29 4.401 -0.235 -1.076 235 HA3 GLY 29 HA3 GLY 29 3.708 0.860 -2.262 236 H GLU 30 H GLU 30 5.893 1.315 -3.850 237 HA GLU 30 HA GLU 30 5.863 -0.823 -5.656 238 HB2 GLU 30 HB2 GLU 30 7.717 1.510 -5.290 239 HB3 GLU 30 HB3 GLU 30 8.042 0.294 -6.514 240 HG2 GLU 30 HG2 GLU 30 5.495 1.875 -6.335 241 HG3 GLU 30 HG3 GLU 30 6.877 2.296 -7.349 242 H HIS 31 H HIS 31 8.219 0.071 -3.194 243 HA HIS 31 HA HIS 31 10.115 -1.912 -3.831 244 HB2 HIS 31 HB2 HIS 31 10.674 0.089 -2.528 245 HB3 HIS 31 HB3 HIS 31 9.649 -0.472 -1.212 246 HD1 HIS 31 HD1 HIS 31 10.714 -2.006 0.485 247 HD2 HIS 31 HD2 HIS 31 13.042 -1.529 -2.930 248 HE1 HIS 31 HE1 HIS 31 12.901 -3.122 0.995 249 HE2 HIS 31 HE2 HIS 31 14.349 -2.654 -1.005 250 H GLN 32 H GLN 32 7.551 -1.812 -1.350 251 HA GLN 32 HA GLN 32 8.225 -4.397 -0.357 252 HB2 GLN 32 HB2 GLN 32 6.265 -4.202 1.066 253 HB3 GLN 32 HB3 GLN 32 7.171 -2.709 1.073 254 HG2 GLN 32 HG2 GLN 32 4.996 -1.959 0.978 255 HG3 GLN 32 HG3 GLN 32 5.484 -1.923 -0.713 256 HE21 GLN 32 HE21 GLN 32 4.684 -4.889 1.005 257 HE22 GLN 32 HE22 GLN 32 3.229 -5.203 0.137 258 H LEU 33 H LEU 33 5.942 -3.269 -2.793 259 HA LEU 33 HA LEU 33 4.556 -5.736 -3.001 260 HB2 LEU 33 HB2 LEU 33 3.571 -3.666 -3.824 261 HB3 LEU 33 HB3 LEU 33 4.867 -3.470 -4.979 262 HG LEU 33 HG LEU 33 2.511 -4.326 -5.748 263 HD11 LEU 33 HD11 LEU 33 3.532 -5.541 -7.593 264 HD12 LEU 33 HD12 LEU 33 5.055 -5.615 -6.704 265 HD13 LEU 33 HD13 LEU 33 4.410 -4.057 -7.224 266 HD21 LEU 33 HD21 LEU 33 2.276 -6.743 -5.811 267 HD22 LEU 33 HD22 LEU 33 2.408 -6.207 -4.136 268 HD23 LEU 33 HD23 LEU 33 3.794 -6.948 -4.937 269 H LEU 34 H LEU 34 7.269 -4.317 -4.899 270 HA LEU 34 HA LEU 34 7.521 -6.524 -6.617 271 HB2 LEU 34 HB2 LEU 34 9.543 -4.454 -5.747 272 HB3 LEU 34 HB3 LEU 34 9.752 -5.557 -7.090 273 HG LEU 34 HG LEU 34 7.534 -3.516 -6.953 274 HD11 LEU 34 HD11 LEU 34 10.186 -3.305 -8.375 275 HD12 LEU 34 HD12 LEU 34 9.700 -2.389 -6.946 276 HD13 LEU 34 HD13 LEU 34 8.851 -2.152 -8.471 277 HD21 LEU 34 HD21 LEU 34 7.086 -5.395 -8.430 278 HD22 LEU 34 HD22 LEU 34 8.641 -5.163 -9.225 279 HD23 LEU 34 HD23 LEU 34 7.387 -3.932 -9.365 280 H TYR 35 H TYR 35 8.718 -5.773 -3.443 281 HA TYR 35 HA TYR 35 10.694 -7.805 -3.277 282 HB2 TYR 35 HB2 TYR 35 10.743 -5.936 -1.727 283 HB3 TYR 35 HB3 TYR 35 9.156 -6.368 -1.104 284 HD1 TYR 35 HD1 TYR 35 12.642 -7.636 -1.405 285 HD2 TYR 35 HD2 TYR 35 8.968 -7.805 0.731 286 HE1 TYR 35 HE1 TYR 35 13.707 -9.038 0.309 287 HE2 TYR 35 HE2 TYR 35 10.025 -9.207 2.452 288 HH TYR 35 HH TYR 35 13.353 -9.568 2.714 289 H LEU 36 H LEU 36 7.296 -7.610 -2.095 290 HA LEU 36 HA LEU 36 7.178 -10.156 -1.004 291 HB2 LEU 36 HB2 LEU 36 5.619 -8.118 -0.758 292 HB3 LEU 36 HB3 LEU 36 4.859 -8.676 -2.230 293 HG LEU 36 HG LEU 36 5.066 -10.464 0.187 294 HD11 LEU 36 HD11 LEU 36 2.872 -8.497 -0.449 295 HD12 LEU 36 HD12 LEU 36 3.992 -8.398 0.909 296 HD13 LEU 36 HD13 LEU 36 2.827 -9.720 0.820 297 HD21 LEU 36 HD21 LEU 36 3.132 -10.350 -2.123 298 HD22 LEU 36 HD22 LEU 36 3.116 -11.531 -0.816 299 HD23 LEU 36 HD23 LEU 36 4.462 -11.495 -1.958 300 H GLN 37 H GLN 37 6.696 -9.007 -4.321 301 HA GLN 37 HA GLN 37 5.453 -11.267 -5.375 302 HB2 GLN 37 HB2 GLN 37 7.390 -9.353 -6.678 303 HB3 GLN 37 HB3 GLN 37 6.512 -10.593 -7.557 304 HG2 GLN 37 HG2 GLN 37 4.393 -9.545 -6.800 305 HG3 GLN 37 HG3 GLN 37 5.346 -8.242 -6.089 306 HE21 GLN 37 HE21 GLN 37 3.369 -8.093 -8.209 307 HE22 GLN 37 HE22 GLN 37 4.189 -7.454 -9.587 308 H HIS 38 H HIS 38 8.845 -10.564 -4.743 309 HA HIS 38 HA HIS 38 9.931 -12.853 -6.012 310 HB2 HIS 38 HB2 HIS 38 10.973 -10.989 -3.899 311 HB3 HIS 38 HB3 HIS 38 11.877 -12.425 -4.364 312 HD1 HIS 38 HD1 HIS 38 12.946 -12.439 -6.717 313 HD2 HIS 38 HD2 HIS 38 10.954 -8.920 -5.782 314 HE1 HIS 38 HE1 HIS 38 13.652 -10.789 -8.454 315 HE2 HIS 38 HE2 HIS 38 12.299 -8.727 -7.979 316 H GLN 39 H GLN 39 8.711 -12.233 -2.733 317 HA GLN 39 HA GLN 39 9.602 -14.685 -1.670 318 HB2 GLN 39 HB2 GLN 39 7.360 -12.886 -0.729 319 HB3 GLN 39 HB3 GLN 39 8.122 -14.163 0.209 320 HG2 GLN 39 HG2 GLN 39 9.427 -11.629 -0.766 321 HG3 GLN 39 HG3 GLN 39 8.969 -12.009 0.889 322 HE21 GLN 39 HE21 GLN 39 9.870 -14.786 0.686 323 HE22 GLN 39 HE22 GLN 39 11.593 -14.730 0.725 324 H LEU 40 H LEU 40 6.495 -13.560 -3.009 325 HA LEU 40 HA LEU 40 4.961 -15.806 -2.773 326 HB2 LEU 40 HB2 LEU 40 4.007 -13.848 -3.710 327 HB3 LEU 40 HB3 LEU 40 5.183 -13.806 -5.009 328 HG LEU 40 HG LEU 40 4.153 -15.898 -5.927 329 HD11 LEU 40 HD11 LEU 40 1.996 -15.337 -3.906 330 HD12 LEU 40 HD12 LEU 40 3.126 -16.690 -3.850 331 HD13 LEU 40 HD13 LEU 40 1.957 -16.569 -5.167 332 HD21 LEU 40 HD21 LEU 40 2.249 -13.580 -5.648 333 HD22 LEU 40 HD22 LEU 40 2.271 -14.782 -6.937 334 HD23 LEU 40 HD23 LEU 40 3.605 -13.641 -6.771 335 H ASP 41 H ASP 41 7.337 -15.109 -5.343 336 HA ASP 41 HA ASP 41 6.938 -17.388 -6.883 337 HB2 ASP 41 HB2 ASP 41 8.281 -15.373 -7.512 338 HB3 ASP 41 HB3 ASP 41 9.544 -15.928 -6.421 339 H GLU 42 H GLU 42 8.939 -16.824 -4.082 340 HA GLU 42 HA GLU 42 10.196 -19.394 -4.034 341 HB2 GLU 42 HB2 GLU 42 11.224 -17.599 -2.800 342 HB3 GLU 42 HB3 GLU 42 9.761 -17.335 -1.863 343 HG2 GLU 42 HG2 GLU 42 10.043 -19.428 -0.735 344 HG3 GLU 42 HG3 GLU 42 11.409 -19.845 -1.768 345 H LEU 43 H LEU 43 7.427 -18.015 -2.435 346 HA LEU 43 HA LEU 43 6.619 -20.222 -0.914 347 HB2 LEU 43 HB2 LEU 43 5.712 -17.944 -0.618 348 HB3 LEU 43 HB3 LEU 43 4.834 -18.102 -2.122 349 HG LEU 43 HG LEU 43 3.608 -18.420 0.166 350 HD11 LEU 43 HD11 LEU 43 2.025 -19.968 -0.867 351 HD12 LEU 43 HD12 LEU 43 3.205 -20.313 -2.133 352 HD13 LEU 43 HD13 LEU 43 2.530 -18.694 -1.975 353 HD21 LEU 43 HD21 LEU 43 3.497 -20.739 0.908 354 HD22 LEU 43 HD22 LEU 43 5.121 -20.076 1.090 355 HD23 LEU 43 HD23 LEU 43 4.759 -21.170 -0.245 356 H ASN 44 H ASN 44 5.869 -19.441 -4.294 357 HA ASN 44 HA ASN 44 3.949 -21.415 -4.804 358 HB2 ASN 44 HB2 ASN 44 6.080 -20.337 -6.668 359 HB3 ASN 44 HB3 ASN 44 4.666 -21.247 -7.172 360 HD21 ASN 44 HD21 ASN 44 5.505 -18.598 -7.927 361 HD22 ASN 44 HD22 ASN 44 4.225 -17.529 -7.481 362 H GLU 45 H GLU 45 7.367 -21.557 -4.661 363 HA GLU 45 HA GLU 45 7.534 -24.288 -5.613 364 HB2 GLU 45 HB2 GLU 45 9.342 -22.690 -6.058 365 HB3 GLU 45 HB3 GLU 45 9.669 -22.578 -4.334 366 HG2 GLU 45 HG2 GLU 45 11.255 -24.028 -5.511 367 HG3 GLU 45 HG3 GLU 45 10.345 -24.887 -4.268 368 H ASN 46 H ASN 46 7.732 -22.704 -2.449 369 HA ASN 46 HA ASN 46 8.534 -25.124 -1.089 370 HB2 ASN 46 HB2 ASN 46 7.897 -22.324 -0.231 371 HB3 ASN 46 HB3 ASN 46 7.983 -23.611 0.965 372 HD21 ASN 46 HD21 ASN 46 9.777 -21.754 -1.385 373 HD22 ASN 46 HD22 ASN 46 11.346 -22.162 -0.783 374 H LYS 47 H LYS 47 5.680 -23.362 -1.648 375 HA LYS 47 HA LYS 47 3.378 -23.684 -1.132 376 HB2 LYS 47 HB2 LYS 47 4.262 -26.561 -0.726 377 HB3 LYS 47 HB3 LYS 47 2.603 -26.023 -0.925 378 HG2 LYS 47 HG2 LYS 47 4.762 -25.776 -3.017 379 HG3 LYS 47 HG3 LYS 47 3.561 -27.063 -2.951 380 HD2 LYS 47 HD2 LYS 47 1.778 -25.349 -3.163 381 HD3 LYS 47 HD3 LYS 47 3.019 -24.106 -3.341 382 HE2 LYS 47 HE2 LYS 47 3.905 -25.449 -5.289 383 HE3 LYS 47 HE3 LYS 47 2.440 -26.425 -5.177 384 HZ1 LYS 47 HZ1 LYS 47 1.154 -24.368 -5.517 385 HZ2 LYS 47 HZ2 LYS 47 2.167 -24.717 -6.819 386 HZ3 LYS 47 HZ3 LYS 47 2.598 -23.513 -5.729 387 H SER 48 H SER 48 5.464 -23.188 0.951 388 HA SER 48 HA SER 48 4.801 -24.582 3.328 389 HB2 SER 48 HB2 SER 48 6.250 -21.960 2.961 390 HB3 SER 48 HB3 SER 48 6.186 -22.892 4.456 391 HG SER 48 HG SER 48 7.068 -24.665 3.066 392 H LYS 49 H LYS 49 3.089 -24.400 4.533 393 HA LYS 49 HA LYS 49 1.128 -22.430 4.179 394 HB2 LYS 49 HB2 LYS 49 -0.004 -23.354 6.114 395 HB3 LYS 49 HB3 LYS 49 0.609 -24.654 5.109 396 HG2 LYS 49 HG2 LYS 49 2.049 -23.666 7.550 397 HG3 LYS 49 HG3 LYS 49 0.833 -24.942 7.595 398 HD2 LYS 49 HD2 LYS 49 2.226 -26.144 5.860 399 HD3 LYS 49 HD3 LYS 49 3.491 -24.954 6.183 400 HE2 LYS 49 HE2 LYS 49 3.826 -27.002 7.473 401 HE3 LYS 49 HE3 LYS 49 3.540 -25.616 8.522 402 HZ1 LYS 49 HZ1 LYS 49 1.361 -27.457 7.708 403 HZ2 LYS 49 HZ2 LYS 49 1.365 -26.346 8.987 404 HZ3 LYS 49 HZ3 LYS 49 2.306 -27.740 9.083 405 H GLU 50 H GLU 50 3.704 -22.709 6.600 406 HA GLU 50 HA GLU 50 2.959 -20.505 8.162 407 HB2 GLU 50 HB2 GLU 50 5.559 -21.919 7.695 408 HB3 GLU 50 HB3 GLU 50 5.514 -20.452 8.663 409 HG2 GLU 50 HG2 GLU 50 3.784 -22.835 9.238 410 HG3 GLU 50 HG3 GLU 50 5.398 -22.626 9.919 411 H LEU 51 H LEU 51 5.169 -20.718 5.424 412 HA LEU 51 HA LEU 51 5.868 -18.006 5.381 413 HB2 LEU 51 HB2 LEU 51 7.057 -19.760 4.111 414 HB3 LEU 51 HB3 LEU 51 5.678 -19.910 3.045 415 HG LEU 51 HG LEU 51 6.039 -17.630 2.227 416 HD11 LEU 51 HD11 LEU 51 6.982 -16.610 4.208 417 HD12 LEU 51 HD12 LEU 51 8.093 -16.418 2.851 418 HD13 LEU 51 HD13 LEU 51 8.412 -17.633 4.087 419 HD21 LEU 51 HD21 LEU 51 8.528 -19.329 2.147 420 HD22 LEU 51 HD22 LEU 51 8.125 -18.036 1.019 421 HD23 LEU 51 HD23 LEU 51 7.132 -19.491 1.084 422 H GLN 52 H GLN 52 3.213 -19.758 3.830 423 HA GLN 52 HA GLN 52 2.156 -17.609 2.376 424 HB2 GLN 52 HB2 GLN 52 1.254 -19.659 1.757 425 HB3 GLN 52 HB3 GLN 52 0.988 -20.166 3.419 426 HG2 GLN 52 HG2 GLN 52 -0.924 -18.787 3.640 427 HG3 GLN 52 HG3 GLN 52 -0.564 -17.928 2.148 428 HE21 GLN 52 HE21 GLN 52 0.026 -20.243 0.586 429 HE22 GLN 52 HE22 GLN 52 -1.467 -21.063 0.313 430 H GLU 53 H GLU 53 1.426 -18.716 5.674 431 HA GLU 53 HA GLU 53 -0.620 -16.877 6.190 432 HB2 GLU 53 HB2 GLU 53 1.294 -18.251 8.077 433 HB3 GLU 53 HB3 GLU 53 -0.135 -17.361 8.584 434 HG2 GLU 53 HG2 GLU 53 -0.167 -19.776 6.785 435 HG3 GLU 53 HG3 GLU 53 -0.465 -19.806 8.522 436 H LYS 54 H LYS 54 2.865 -16.705 6.814 437 HA LYS 54 HA LYS 54 2.838 -14.172 8.082 438 HB2 LYS 54 HB2 LYS 54 5.053 -15.450 6.465 439 HB3 LYS 54 HB3 LYS 54 5.246 -14.089 7.553 440 HG2 LYS 54 HG2 LYS 54 4.379 -16.855 8.398 441 HG3 LYS 54 HG3 LYS 54 6.025 -16.237 8.499 442 HD2 LYS 54 HD2 LYS 54 5.339 -15.780 10.632 443 HD3 LYS 54 HD3 LYS 54 4.808 -14.297 9.847 444 HE2 LYS 54 HE2 LYS 54 3.043 -15.119 11.269 445 HE3 LYS 54 HE3 LYS 54 2.548 -15.288 9.589 446 HZ1 LYS 54 HZ1 LYS 54 3.159 -17.636 9.699 447 HZ2 LYS 54 HZ2 LYS 54 1.992 -17.252 10.857 448 HZ3 LYS 54 HZ3 LYS 54 3.604 -17.457 11.318 449 H ILE 55 H ILE 55 3.253 -15.134 4.771 450 HA ILE 55 HA ILE 55 3.748 -12.556 3.689 451 HB ILE 55 HB ILE 55 2.597 -15.013 2.346 452 HG12 ILE 55 HG12 ILE 55 5.308 -13.673 2.160 453 HG13 ILE 55 HG13 ILE 55 4.953 -15.144 3.059 454 HG21 ILE 55 HG21 ILE 55 2.972 -13.880 0.197 455 HG22 ILE 55 HG22 ILE 55 3.389 -12.400 1.064 456 HG23 ILE 55 HG23 ILE 55 1.754 -13.054 1.173 457 HD11 ILE 55 HD11 ILE 55 4.395 -16.279 0.969 458 HD12 ILE 55 HD12 ILE 55 6.038 -15.640 0.946 459 HD13 ILE 55 HD13 ILE 55 4.754 -14.803 0.073 460 H ILE 56 H ILE 56 0.691 -14.382 3.912 461 HA ILE 56 HA ILE 56 -0.955 -12.368 2.835 462 HB ILE 56 HB ILE 56 -1.662 -14.537 4.828 463 HG12 ILE 56 HG12 ILE 56 -2.025 -14.414 1.826 464 HG13 ILE 56 HG13 ILE 56 -0.794 -15.353 2.665 465 HG21 ILE 56 HG21 ILE 56 -3.316 -12.751 4.904 466 HG22 ILE 56 HG22 ILE 56 -3.994 -14.188 4.135 467 HG23 ILE 56 HG23 ILE 56 -3.489 -12.815 3.148 468 HD11 ILE 56 HD11 ILE 56 -3.768 -15.742 2.910 469 HD12 ILE 56 HD12 ILE 56 -2.525 -16.703 3.711 470 HD13 ILE 56 HD13 ILE 56 -2.669 -16.732 1.953 471 H ARG 57 H ARG 57 0.150 -12.967 6.133 472 HA ARG 57 HA ARG 57 -1.589 -11.085 7.340 473 HB2 ARG 57 HB2 ARG 57 0.742 -12.681 8.218 474 HB3 ARG 57 HB3 ARG 57 0.385 -11.234 9.150 475 HG2 ARG 57 HG2 ARG 57 -0.649 -13.331 10.023 476 HG3 ARG 57 HG3 ARG 57 -1.790 -12.026 9.706 477 HD2 ARG 57 HD2 ARG 57 -2.453 -13.059 7.631 478 HD3 ARG 57 HD3 ARG 57 -1.214 -14.299 7.815 479 HE ARG 57 HE ARG 57 -3.088 -14.191 9.984 480 HH11 ARG 57 HH11 ARG 57 -2.495 -15.467 6.784 481 HH12 ARG 57 HH12 ARG 57 -3.477 -16.870 7.006 482 HH21 ARG 57 HH21 ARG 57 -4.428 -16.019 10.287 483 HH22 ARG 57 HH22 ARG 57 -4.620 -17.164 9.001 484 H GLU 58 H GLU 58 1.860 -10.844 6.362 485 HA GLU 58 HA GLU 58 1.967 -8.135 7.195 486 HB2 GLU 58 HB2 GLU 58 4.102 -7.995 5.993 487 HB3 GLU 58 HB3 GLU 58 4.024 -9.413 7.024 488 HG2 GLU 58 HG2 GLU 58 3.634 -10.826 5.144 489 HG3 GLU 58 HG3 GLU 58 3.526 -9.429 4.072 490 H LEU 59 H LEU 59 1.051 -9.720 4.199 491 HA LEU 59 HA LEU 59 1.045 -7.464 2.522 492 HB2 LEU 59 HB2 LEU 59 0.775 -9.917 1.880 493 HB3 LEU 59 HB3 LEU 59 -0.872 -9.807 2.450 494 HG LEU 59 HG LEU 59 0.154 -8.048 0.221 495 HD11 LEU 59 HD11 LEU 59 -0.787 -9.667 -1.346 496 HD12 LEU 59 HD12 LEU 59 -1.118 -10.766 -0.007 497 HD13 LEU 59 HD13 LEU 59 0.547 -10.357 -0.419 498 HD21 LEU 59 HD21 LEU 59 -1.959 -7.375 1.280 499 HD22 LEU 59 HD22 LEU 59 -2.621 -8.981 0.976 500 HD23 LEU 59 HD23 LEU 59 -2.215 -7.923 -0.376 501 H ASP 60 H ASP 60 -1.393 -8.912 4.621 502 HA ASP 60 HA ASP 60 -3.467 -7.112 4.065 503 HB2 ASP 60 HB2 ASP 60 -3.753 -9.333 5.146 504 HB3 ASP 60 HB3 ASP 60 -3.042 -8.675 6.614 505 H VAL 61 H VAL 61 -0.992 -7.058 6.647 506 HA VAL 61 HA VAL 61 -2.067 -4.785 7.943 507 HB VAL 61 HB VAL 61 -0.057 -4.582 9.206 508 HG11 VAL 61 HG11 VAL 61 -1.399 -6.555 9.712 509 HG12 VAL 61 HG12 VAL 61 0.312 -6.817 10.048 510 HG13 VAL 61 HG13 VAL 61 -0.413 -7.505 8.596 511 HG21 VAL 61 HG21 VAL 61 1.297 -6.245 7.089 512 HG22 VAL 61 HG22 VAL 61 2.022 -5.830 8.643 513 HG23 VAL 61 HG23 VAL 61 1.620 -4.559 7.489 514 H VAL 62 H VAL 62 0.241 -5.110 5.305 515 HA VAL 62 HA VAL 62 0.855 -2.338 5.119 516 HB VAL 62 HB VAL 62 1.098 -4.557 3.065 517 HG11 VAL 62 HG11 VAL 62 2.556 -3.030 1.810 518 HG12 VAL 62 HG12 VAL 62 2.179 -1.739 2.952 519 HG13 VAL 62 HG13 VAL 62 0.910 -2.408 1.926 520 HG21 VAL 62 HG21 VAL 62 3.162 -3.199 4.800 521 HG22 VAL 62 HG22 VAL 62 3.489 -4.437 3.586 522 HG23 VAL 62 HG23 VAL 62 2.534 -4.835 5.015 523 H CYS 63 H CYS 63 -1.517 -4.451 3.654 524 HA CYS 63 HA CYS 63 -2.583 -2.583 1.826 525 HB2 CYS 63 HB2 CYS 63 -3.073 -5.010 1.711 526 HB3 CYS 63 HB3 CYS 63 -4.016 -4.878 3.190 527 HG CYS 63 HG CYS 63 -5.382 -2.670 1.400 528 H ALA 64 H ALA 64 -3.337 -3.318 5.210 529 HA ALA 64 HA ALA 64 -5.598 -1.652 5.434 530 HB1 ALA 64 HB1 ALA 64 -5.297 -1.951 7.834 531 HB2 ALA 64 HB2 ALA 64 -3.673 -2.588 7.554 532 HB3 ALA 64 HB3 ALA 64 -5.081 -3.483 6.982 533 H MET 65 H MET 65 -2.163 -1.135 6.298 534 HA MET 65 HA MET 65 -2.600 1.485 7.273 535 HB2 MET 65 HB2 MET 65 -0.224 1.739 7.364 536 HB3 MET 65 HB3 MET 65 -0.583 0.071 7.777 537 HG2 MET 65 HG2 MET 65 0.005 -0.604 5.502 538 HG3 MET 65 HG3 MET 65 0.399 1.068 5.121 539 HE1 MET 65 HE1 MET 65 1.397 -2.156 7.003 540 HE2 MET 65 HE2 MET 65 1.118 -1.082 8.372 541 HE3 MET 65 HE3 MET 65 2.753 -1.643 8.007 542 H ILE 66 H ILE 66 -1.811 0.237 4.079 543 HA ILE 66 HA ILE 66 -1.396 2.762 2.867 544 HB ILE 66 HB ILE 66 -1.722 -0.023 1.903 545 HG12 ILE 66 HG12 ILE 66 0.216 0.566 0.520 546 HG13 ILE 66 HG13 ILE 66 0.053 2.253 0.981 547 HG21 ILE 66 HG21 ILE 66 -3.445 1.007 0.554 548 HG22 ILE 66 HG22 ILE 66 -2.045 0.617 -0.444 549 HG23 ILE 66 HG23 ILE 66 -2.333 2.284 0.060 550 HD11 ILE 66 HD11 ILE 66 0.670 0.003 2.888 551 HD12 ILE 66 HD12 ILE 66 0.645 1.728 3.255 552 HD13 ILE 66 HD13 ILE 66 1.866 1.077 2.164 553 H GLU 67 H GLU 67 -4.274 0.705 3.227 554 HA GLU 67 HA GLU 67 -6.056 2.250 1.692 555 HB2 GLU 67 HB2 GLU 67 -6.401 0.339 3.981 556 HB3 GLU 67 HB3 GLU 67 -7.779 1.213 3.331 557 HG2 GLU 67 HG2 GLU 67 -5.978 -0.527 1.668 558 HG3 GLU 67 HG3 GLU 67 -7.447 -1.104 2.452 559 H GLY 68 H GLY 68 -5.035 2.414 5.039 560 HA2 GLY 68 HA2 GLY 68 -6.969 4.298 5.888 561 HA3 GLY 68 HA3 GLY 68 -5.481 3.888 6.724 562 H ALA 69 H ALA 69 -3.554 4.657 4.926 563 HA ALA 69 HA ALA 69 -3.522 7.451 5.402 564 HB1 ALA 69 HB1 ALA 69 -1.650 5.778 3.733 565 HB2 ALA 69 HB2 ALA 69 -1.494 6.084 5.463 566 HB3 ALA 69 HB3 ALA 69 -1.345 7.414 4.313 567 H GLN 70 H GLN 70 -3.986 5.482 2.511 568 HA GLN 70 HA GLN 70 -3.901 7.708 0.709 569 HB2 GLN 70 HB2 GLN 70 -4.577 6.287 -1.030 570 HB3 GLN 70 HB3 GLN 70 -3.632 5.261 0.034 571 HG2 GLN 70 HG2 GLN 70 -5.551 4.182 0.852 572 HG3 GLN 70 HG3 GLN 70 -6.624 5.392 0.144 573 HE21 GLN 70 HE21 GLN 70 -6.856 5.453 -2.107 574 HE22 GLN 70 HE22 GLN 70 -6.563 4.049 -3.075 575 H GLY 71 H GLY 71 -6.416 6.135 2.487 576 HA2 GLY 71 HA2 GLY 71 -8.629 7.542 1.346 577 HA3 GLY 71 HA3 GLY 71 -8.642 6.705 2.894 578 H ALA 72 H ALA 72 -6.623 8.102 4.144 579 HA ALA 72 HA ALA 72 -8.117 10.302 5.197 580 HB1 ALA 72 HB1 ALA 72 -6.191 10.665 6.660 581 HB2 ALA 72 HB2 ALA 72 -5.242 9.527 5.703 582 HB3 ALA 72 HB3 ALA 72 -6.637 8.960 6.617 583 H LEU 73 H LEU 73 -5.004 10.070 3.511 584 HA LEU 73 HA LEU 73 -4.493 12.752 3.168 585 HB2 LEU 73 HB2 LEU 73 -2.870 10.999 2.738 586 HB3 LEU 73 HB3 LEU 73 -3.807 10.440 1.365 587 HG LEU 73 HG LEU 73 -3.397 12.674 0.300 588 HD11 LEU 73 HD11 LEU 73 -2.841 13.949 2.280 589 HD12 LEU 73 HD12 LEU 73 -1.511 13.994 1.123 590 HD13 LEU 73 HD13 LEU 73 -1.410 12.953 2.544 591 HD21 LEU 73 HD21 LEU 73 -1.089 12.119 -0.360 592 HD22 LEU 73 HD22 LEU 73 -2.177 10.734 -0.407 593 HD23 LEU 73 HD23 LEU 73 -1.034 10.912 0.927 594 H GLU 74 H GLU 74 -6.318 10.557 1.056 595 HA GLU 74 HA GLU 74 -6.736 12.264 -1.105 596 HB2 GLU 74 HB2 GLU 74 -7.429 9.717 -0.488 597 HB3 GLU 74 HB3 GLU 74 -8.990 10.509 -0.335 598 HG2 GLU 74 HG2 GLU 74 -7.263 10.770 -2.775 599 HG3 GLU 74 HG3 GLU 74 -8.433 9.472 -2.575 600 H ARG 75 H ARG 75 -8.761 11.760 1.754 601 HA ARG 75 HA ARG 75 -10.789 13.595 1.192 602 HB2 ARG 75 HB2 ARG 75 -10.617 11.852 3.082 603 HB3 ARG 75 HB3 ARG 75 -9.694 13.057 3.957 604 HG2 ARG 75 HG2 ARG 75 -12.523 13.459 2.985 605 HG3 ARG 75 HG3 ARG 75 -12.093 12.918 4.604 606 HD2 ARG 75 HD2 ARG 75 -11.466 15.582 3.323 607 HD3 ARG 75 HD3 ARG 75 -12.548 15.278 4.677 608 HE ARG 75 HE ARG 75 -9.707 15.608 4.766 609 HH11 ARG 75 HH11 ARG 75 -12.410 14.068 6.409 610 HH12 ARG 75 HH12 ARG 75 -11.612 14.039 7.944 611 HH21 ARG 75 HH21 ARG 75 -8.664 15.609 6.840 612 HH22 ARG 75 HH22 ARG 75 -9.502 14.900 8.181 613 H GLU 76 H GLU 76 -7.685 14.042 2.873 614 HA GLU 76 HA GLU 76 -8.194 16.748 3.546 615 HB2 GLU 76 HB2 GLU 76 -6.532 14.992 4.570 616 HB3 GLU 76 HB3 GLU 76 -5.424 15.652 3.374 617 HG2 GLU 76 HG2 GLU 76 -5.164 16.746 5.530 618 HG3 GLU 76 HG3 GLU 76 -5.724 17.878 4.297 619 H LEU 77 H LEU 77 -5.901 15.314 1.132 620 HA LEU 77 HA LEU 77 -5.181 17.735 0.049 621 HB2 LEU 77 HB2 LEU 77 -4.408 16.509 -1.954 622 HB3 LEU 77 HB3 LEU 77 -3.850 15.824 -0.454 623 HG LEU 77 HG LEU 77 -5.618 14.037 -0.719 624 HD11 LEU 77 HD11 LEU 77 -5.827 15.186 -3.502 625 HD12 LEU 77 HD12 LEU 77 -7.098 15.200 -2.278 626 HD13 LEU 77 HD13 LEU 77 -6.538 13.668 -2.949 627 HD21 LEU 77 HD21 LEU 77 -4.303 12.753 -2.272 628 HD22 LEU 77 HD22 LEU 77 -3.219 13.749 -1.296 629 HD23 LEU 77 HD23 LEU 77 -3.598 14.220 -2.948 630 H LYS 78 H LYS 78 -8.267 16.242 -0.246 631 HA LYS 78 HA LYS 78 -8.839 17.339 -2.795 632 HB2 LYS 78 HB2 LYS 78 -10.245 15.774 -0.748 633 HB3 LYS 78 HB3 LYS 78 -11.266 16.830 -1.732 634 HG2 LYS 78 HG2 LYS 78 -9.384 14.702 -2.751 635 HG3 LYS 78 HG3 LYS 78 -11.142 14.584 -2.675 636 HD2 LYS 78 HD2 LYS 78 -11.378 16.377 -4.283 637 HD3 LYS 78 HD3 LYS 78 -9.641 16.658 -4.290 638 HE2 LYS 78 HE2 LYS 78 -9.306 14.382 -5.170 639 HE3 LYS 78 HE3 LYS 78 -11.057 14.176 -5.231 640 HZ1 LYS 78 HZ1 LYS 78 -11.183 16.006 -6.801 641 HZ2 LYS 78 HZ2 LYS 78 -10.156 14.803 -7.383 642 HZ3 LYS 78 HZ3 LYS 78 -9.510 16.217 -6.739 643 H ARG 79 H ARG 79 -8.449 18.620 0.256 644 HA ARG 79 HA ARG 79 -10.503 20.481 0.542 645 HB2 ARG 79 HB2 ARG 79 -8.544 19.874 2.128 646 HB3 ARG 79 HB3 ARG 79 -7.646 21.103 1.252 647 HG2 ARG 79 HG2 ARG 79 -8.479 22.174 3.157 648 HG3 ARG 79 HG3 ARG 79 -9.531 22.689 1.837 649 HD2 ARG 79 HD2 ARG 79 -10.874 22.139 3.775 650 HD3 ARG 79 HD3 ARG 79 -11.162 20.955 2.502 651 HE ARG 79 HE ARG 79 -9.120 20.009 4.202 652 HH11 ARG 79 HH11 ARG 79 -12.597 20.533 4.190 653 HH12 ARG 79 HH12 ARG 79 -12.893 19.329 5.397 654 HH21 ARG 79 HH21 ARG 79 -9.516 18.434 5.770 655 HH22 ARG 79 HH22 ARG 79 -11.151 18.131 6.299 656 H THR 80 H THR 80 -7.597 20.548 -1.387 657 HA THR 80 HA THR 80 -8.675 22.705 -2.953 658 HB THR 80 HB THR 80 -7.403 24.035 -1.466 659 HG1 THR 80 HG1 THR 80 -5.413 23.775 -3.391 660 HG21 THR 80 HG21 THR 80 -5.111 22.130 -1.879 661 HG22 THR 80 HG22 THR 80 -6.126 22.225 -0.443 662 HG23 THR 80 HG23 THR 80 -5.084 23.585 -0.876 663 H ASP 81 H ASP 81 -8.608 21.963 -4.980 664 HA ASP 81 HA ASP 81 -6.233 20.502 -5.866 665 HB2 ASP 81 HB2 ASP 81 -7.546 18.756 -6.895 666 HB3 ASP 81 HB3 ASP 81 -8.018 18.858 -5.202 667 H LEU 82 H LEU 82 -7.359 23.253 -6.276 668 HA LEU 82 HA LEU 82 -8.300 23.110 -9.026 669 HB2 LEU 82 HB2 LEU 82 -9.361 24.560 -7.119 670 HB3 LEU 82 HB3 LEU 82 -8.024 25.641 -7.438 671 HG LEU 82 HG LEU 82 -10.055 24.797 -9.513 672 HD11 LEU 82 HD11 LEU 82 -11.131 26.082 -7.773 673 HD12 LEU 82 HD12 LEU 82 -10.979 27.048 -9.240 674 HD13 LEU 82 HD13 LEU 82 -9.885 27.324 -7.884 675 HD21 LEU 82 HD21 LEU 82 -9.147 26.640 -10.823 676 HD22 LEU 82 HD22 LEU 82 -7.880 25.476 -10.436 677 HD23 LEU 82 HD23 LEU 82 -7.986 26.996 -9.546 678 H ASN 83 H ASN 83 -6.718 22.985 -10.403 679 HA ASN 83 HA ASN 83 -4.757 24.814 -11.001 680 HB2 ASN 83 HB2 ASN 83 -3.931 24.136 -8.663 681 HB3 ASN 83 HB3 ASN 83 -3.436 22.642 -9.457 682 HD21 ASN 83 HD21 ASN 83 -2.098 25.092 -8.333 683 HD22 ASN 83 HD22 ASN 83 -0.973 25.541 -9.564 684 H ILE 84 H ILE 84 -4.068 24.224 -12.949 685 HA ILE 84 HA ILE 84 -4.923 21.902 -14.212 686 HB ILE 84 HB ILE 84 -2.530 23.572 -15.007 687 HG12 ILE 84 HG12 ILE 84 -5.437 23.953 -15.747 688 HG13 ILE 84 HG13 ILE 84 -4.564 24.945 -14.587 689 HG21 ILE 84 HG21 ILE 84 -2.759 21.450 -16.207 690 HG22 ILE 84 HG22 ILE 84 -3.054 22.829 -17.265 691 HG23 ILE 84 HG23 ILE 84 -4.411 21.881 -16.655 692 HD11 ILE 84 HD11 ILE 84 -3.050 25.663 -16.379 693 HD12 ILE 84 HD12 ILE 84 -4.734 26.061 -16.720 694 HD13 ILE 84 HD13 ILE 84 -3.973 24.688 -17.524 695 H LEU 85 H LEU 85 -1.735 22.673 -12.771 696 HA LEU 85 HA LEU 85 -0.572 20.216 -13.627 697 HB2 LEU 85 HB2 LEU 85 0.646 22.390 -13.339 698 HB3 LEU 85 HB3 LEU 85 0.438 22.228 -11.610 699 HG LEU 85 HG LEU 85 2.718 21.614 -12.581 700 HD11 LEU 85 HD11 LEU 85 3.036 19.723 -11.068 701 HD12 LEU 85 HD12 LEU 85 1.286 19.573 -10.898 702 HD13 LEU 85 HD13 LEU 85 2.106 21.023 -10.319 703 HD21 LEU 85 HD21 LEU 85 2.972 19.381 -13.505 704 HD22 LEU 85 HD22 LEU 85 1.898 20.351 -14.515 705 HD23 LEU 85 HD23 LEU 85 1.228 19.133 -13.429 706 H GLU 86 H GLU 86 -1.623 21.542 -10.482 707 HA GLU 86 HA GLU 86 -0.875 19.283 -8.985 708 HB2 GLU 86 HB2 GLU 86 -3.046 21.282 -8.306 709 HB3 GLU 86 HB3 GLU 86 -2.274 20.168 -7.194 710 HG2 GLU 86 HG2 GLU 86 -0.137 21.267 -7.508 711 HG3 GLU 86 HG3 GLU 86 -0.854 22.367 -8.681 712 H ARG 87 H ARG 87 -3.981 20.110 -10.553 713 HA ARG 87 HA ARG 87 -5.421 17.913 -9.623 714 HB2 ARG 87 HB2 ARG 87 -6.447 19.785 -10.865 715 HB3 ARG 87 HB3 ARG 87 -5.644 19.242 -12.330 716 HG2 ARG 87 HG2 ARG 87 -6.907 17.158 -12.265 717 HG3 ARG 87 HG3 ARG 87 -7.703 17.684 -10.782 718 HD2 ARG 87 HD2 ARG 87 -9.141 18.071 -12.694 719 HD3 ARG 87 HD3 ARG 87 -8.640 19.603 -11.979 720 HE ARG 87 HE ARG 87 -6.962 18.728 -14.143 721 HH11 ARG 87 HH11 ARG 87 -9.883 20.487 -13.309 722 HH12 ARG 87 HH12 ARG 87 -9.884 21.431 -14.760 723 HH21 ARG 87 HH21 ARG 87 -6.953 19.951 -16.057 724 HH22 ARG 87 HH22 ARG 87 -8.197 21.120 -16.347 725 H PHE 88 H PHE 88 -3.362 18.253 -12.491 726 HA PHE 88 HA PHE 88 -3.680 15.662 -13.498 727 HB2 PHE 88 HB2 PHE 88 -2.632 17.299 -14.889 728 HB3 PHE 88 HB3 PHE 88 -1.384 17.616 -13.691 729 HD1 PHE 88 HD1 PHE 88 -2.702 14.892 -15.861 730 HD2 PHE 88 HD2 PHE 88 0.667 16.566 -13.872 731 HE1 PHE 88 HE1 PHE 88 -1.246 13.229 -16.931 732 HE2 PHE 88 HE2 PHE 88 2.128 14.905 -14.940 733 HZ PHE 88 HZ PHE 88 1.174 13.234 -16.470 734 H ASN 89 H ASN 89 -1.430 16.952 -11.120 735 HA ASN 89 HA ASN 89 0.115 14.609 -10.774 736 HB2 ASN 89 HB2 ASN 89 -0.366 17.023 -9.061 737 HB3 ASN 89 HB3 ASN 89 0.495 15.641 -8.393 738 HD21 ASN 89 HD21 ASN 89 0.703 16.543 -11.756 739 HD22 ASN 89 HD22 ASN 89 2.348 17.075 -11.706 740 H TYR 90 H TYR 90 -2.629 15.849 -8.903 741 HA TYR 90 HA TYR 90 -2.986 13.752 -7.139 742 HB2 TYR 90 HB2 TYR 90 -4.982 15.569 -8.495 743 HB3 TYR 90 HB3 TYR 90 -5.463 14.396 -7.281 744 HD1 TYR 90 HD1 TYR 90 -2.235 16.017 -6.819 745 HD2 TYR 90 HD2 TYR 90 -6.401 16.299 -6.011 746 HE1 TYR 90 HE1 TYR 90 -1.778 17.656 -5.056 747 HE2 TYR 90 HE2 TYR 90 -5.955 17.945 -4.250 748 HH TYR 90 HH TYR 90 -4.316 18.815 -2.932 749 H GLU 91 H GLU 91 -4.502 14.196 -10.310 750 HA GLU 91 HA GLU 91 -5.955 11.828 -10.416 751 HB2 GLU 91 HB2 GLU 91 -6.306 13.758 -11.889 752 HB3 GLU 91 HB3 GLU 91 -4.771 13.432 -12.682 753 HG2 GLU 91 HG2 GLU 91 -5.604 11.338 -13.524 754 HG3 GLU 91 HG3 GLU 91 -7.118 11.554 -12.648 755 H GLU 92 H GLU 92 -2.710 12.517 -11.698 756 HA GLU 92 HA GLU 92 -2.377 9.959 -12.841 757 HB2 GLU 92 HB2 GLU 92 -1.077 12.078 -13.392 758 HB3 GLU 92 HB3 GLU 92 -0.106 11.729 -11.968 759 HG2 GLU 92 HG2 GLU 92 1.002 10.917 -13.952 760 HG3 GLU 92 HG3 GLU 92 0.513 9.561 -12.933 761 H ALA 93 H ALA 93 -1.272 11.295 -9.675 762 HA ALA 93 HA ALA 93 0.160 9.059 -8.863 763 HB1 ALA 93 HB1 ALA 93 -0.100 9.946 -6.607 764 HB2 ALA 93 HB2 ALA 93 -1.384 11.020 -7.164 765 HB3 ALA 93 HB3 ALA 93 0.265 11.240 -7.748 766 H GLN 94 H GLN 94 -3.261 9.884 -8.443 767 HA GLN 94 HA GLN 94 -3.939 7.617 -6.908 768 HB2 GLN 94 HB2 GLN 94 -5.620 9.371 -8.697 769 HB3 GLN 94 HB3 GLN 94 -6.278 8.127 -7.640 770 HG2 GLN 94 HG2 GLN 94 -5.484 9.263 -5.696 771 HG3 GLN 94 HG3 GLN 94 -4.604 10.429 -6.682 772 HE21 GLN 94 HE21 GLN 94 -6.662 10.820 -4.673 773 HE22 GLN 94 HE22 GLN 94 -7.936 11.690 -5.437 774 H THR 95 H THR 95 -3.781 8.207 -10.335 775 HA THR 95 HA THR 95 -4.937 5.842 -11.272 776 HB THR 95 HB THR 95 -2.658 7.448 -12.448 777 HG1 THR 95 HG1 THR 95 -4.519 8.659 -12.428 778 HG21 THR 95 HG21 THR 95 -3.184 6.312 -14.576 779 HG22 THR 95 HG22 THR 95 -4.347 5.283 -13.731 780 HG23 THR 95 HG23 THR 95 -2.632 5.169 -13.350 781 H LEU 96 H LEU 96 -1.581 6.547 -10.314 782 HA LEU 96 HA LEU 96 -0.637 3.924 -10.898 783 HB2 LEU 96 HB2 LEU 96 0.563 6.025 -9.087 784 HB3 LEU 96 HB3 LEU 96 1.383 4.598 -9.690 785 HG LEU 96 HG LEU 96 0.409 6.905 -11.376 786 HD11 LEU 96 HD11 LEU 96 2.317 7.507 -9.999 787 HD12 LEU 96 HD12 LEU 96 2.782 7.383 -11.696 788 HD13 LEU 96 HD13 LEU 96 3.194 6.088 -10.571 789 HD21 LEU 96 HD21 LEU 96 1.658 5.803 -13.190 790 HD22 LEU 96 HD22 LEU 96 0.317 4.817 -12.610 791 HD23 LEU 96 HD23 LEU 96 1.968 4.430 -12.126 792 H SER 97 H SER 97 -1.931 5.555 -8.089 793 HA SER 97 HA SER 97 -1.290 3.671 -6.130 794 HB2 SER 97 HB2 SER 97 -3.717 5.478 -6.269 795 HB3 SER 97 HB3 SER 97 -3.112 4.671 -4.819 796 HG SER 97 HG SER 97 -1.710 6.602 -6.374 797 H LYS 98 H LYS 98 -4.281 3.972 -8.116 798 HA LYS 98 HA LYS 98 -5.585 1.741 -7.103 799 HB2 LYS 98 HB2 LYS 98 -5.695 2.910 -9.882 800 HB3 LYS 98 HB3 LYS 98 -6.866 1.787 -9.211 801 HG2 LYS 98 HG2 LYS 98 -7.388 3.496 -7.463 802 HG3 LYS 98 HG3 LYS 98 -6.342 4.619 -8.336 803 HD2 LYS 98 HD2 LYS 98 -8.812 3.264 -9.430 804 HD3 LYS 98 HD3 LYS 98 -8.678 4.958 -8.959 805 HE2 LYS 98 HE2 LYS 98 -7.162 5.419 -10.734 806 HE3 LYS 98 HE3 LYS 98 -6.950 3.707 -11.090 807 HZ1 LYS 98 HZ1 LYS 98 -8.400 4.747 -12.692 808 HZ2 LYS 98 HZ2 LYS 98 -9.457 5.253 -11.470 809 HZ3 LYS 98 HZ3 LYS 98 -9.251 3.607 -11.786 810 H ILE 99 H ILE 99 -3.188 2.067 -9.695 811 HA ILE 99 HA ILE 99 -3.379 -0.558 -10.672 812 HB ILE 99 HB ILE 99 -0.999 1.314 -10.668 813 HG12 ILE 99 HG12 ILE 99 -3.006 0.681 -12.846 814 HG13 ILE 99 HG13 ILE 99 -3.011 2.143 -11.865 815 HG21 ILE 99 HG21 ILE 99 -0.079 -0.099 -12.441 816 HG22 ILE 99 HG22 ILE 99 -1.447 -1.201 -12.276 817 HG23 ILE 99 HG23 ILE 99 -0.303 -1.017 -10.948 818 HD11 ILE 99 HD11 ILE 99 -0.830 1.298 -13.760 819 HD12 ILE 99 HD12 ILE 99 -0.838 2.767 -12.786 820 HD13 ILE 99 HD13 ILE 99 -2.041 2.544 -14.055 821 H LEU 100 H LEU 100 -1.330 0.945 -8.229 822 HA LEU 100 HA LEU 100 0.265 -1.236 -7.556 823 HB2 LEU 100 HB2 LEU 100 0.763 1.046 -6.880 824 HB3 LEU 100 HB3 LEU 100 -0.662 1.083 -5.863 825 HG LEU 100 HG LEU 100 0.347 -0.667 -4.433 826 HD11 LEU 100 HD11 LEU 100 2.776 -0.236 -6.169 827 HD12 LEU 100 HD12 LEU 100 1.818 -1.713 -6.063 828 HD13 LEU 100 HD13 LEU 100 2.739 -1.157 -4.667 829 HD21 LEU 100 HD21 LEU 100 2.036 1.802 -4.807 830 HD22 LEU 100 HD22 LEU 100 1.974 0.796 -3.359 831 HD23 LEU 100 HD23 LEU 100 0.548 1.702 -3.865 832 H LEU 101 H LEU 101 -2.736 -0.094 -6.005 833 HA LEU 101 HA LEU 101 -2.911 -2.128 -4.080 834 HB2 LEU 101 HB2 LEU 101 -4.860 -0.227 -5.295 835 HB3 LEU 101 HB3 LEU 101 -5.492 -1.565 -4.362 836 HG LEU 101 HG LEU 101 -5.350 0.438 -3.004 837 HD11 LEU 101 HD11 LEU 101 -3.283 -1.588 -2.180 838 HD12 LEU 101 HD12 LEU 101 -5.023 -1.716 -1.922 839 HD13 LEU 101 HD13 LEU 101 -4.104 -0.442 -1.120 840 HD21 LEU 101 HD21 LEU 101 -2.384 0.374 -3.552 841 HD22 LEU 101 HD22 LEU 101 -3.208 1.457 -2.428 842 HD23 LEU 101 HD23 LEU 101 -3.527 1.574 -4.157 843 H LYS 102 H LYS 102 -4.138 -1.962 -7.386 844 HA LYS 102 HA LYS 102 -5.595 -4.361 -7.321 845 HB2 LYS 102 HB2 LYS 102 -5.824 -2.625 -9.076 846 HB3 LYS 102 HB3 LYS 102 -4.233 -3.056 -9.683 847 HG2 LYS 102 HG2 LYS 102 -5.009 -5.239 -10.315 848 HG3 LYS 102 HG3 LYS 102 -6.575 -4.942 -9.561 849 HD2 LYS 102 HD2 LYS 102 -6.783 -4.643 -11.943 850 HD3 LYS 102 HD3 LYS 102 -6.936 -3.077 -11.153 851 HE2 LYS 102 HE2 LYS 102 -4.597 -2.578 -11.693 852 HE3 LYS 102 HE3 LYS 102 -4.444 -4.149 -12.478 853 HZ1 LYS 102 HZ1 LYS 102 -4.836 -2.387 -14.078 854 HZ2 LYS 102 HZ2 LYS 102 -6.282 -1.971 -13.317 855 HZ3 LYS 102 HZ3 LYS 102 -6.126 -3.473 -14.072 856 H ASP 103 H ASP 103 -2.153 -3.680 -7.990 857 HA ASP 103 HA ASP 103 -1.592 -6.331 -8.860 858 HB2 ASP 103 HB2 ASP 103 -0.192 -4.199 -9.266 859 HB3 ASP 103 HB3 ASP 103 0.441 -4.470 -7.647 860 H LEU 104 H LEU 104 -1.578 -4.692 -5.654 861 HA LEU 104 HA LEU 104 -0.267 -6.697 -4.238 862 HB2 LEU 104 HB2 LEU 104 -2.088 -4.446 -3.612 863 HB3 LEU 104 HB3 LEU 104 -2.038 -5.730 -2.427 864 HG LEU 104 HG LEU 104 -0.538 -3.933 -1.806 865 HD11 LEU 104 HD11 LEU 104 0.958 -6.396 -2.675 866 HD12 LEU 104 HD12 LEU 104 0.093 -6.172 -1.155 867 HD13 LEU 104 HD13 LEU 104 1.525 -5.204 -1.506 868 HD21 LEU 104 HD21 LEU 104 -0.057 -3.027 -4.005 869 HD22 LEU 104 HD22 LEU 104 0.864 -4.474 -4.414 870 HD23 LEU 104 HD23 LEU 104 1.437 -3.394 -3.143 871 H LYS 105 H LYS 105 -3.718 -6.141 -4.833 872 HA LYS 105 HA LYS 105 -4.601 -8.438 -3.477 873 HB2 LYS 105 HB2 LYS 105 -5.944 -6.849 -5.649 874 HB3 LYS 105 HB3 LYS 105 -6.722 -8.147 -4.755 875 HG2 LYS 105 HG2 LYS 105 -6.135 -6.842 -2.654 876 HG3 LYS 105 HG3 LYS 105 -5.766 -5.496 -3.731 877 HD2 LYS 105 HD2 LYS 105 -8.027 -5.266 -2.946 878 HD3 LYS 105 HD3 LYS 105 -8.062 -5.682 -4.659 879 HE2 LYS 105 HE2 LYS 105 -9.737 -6.932 -3.368 880 HE3 LYS 105 HE3 LYS 105 -8.557 -7.999 -4.116 881 HZ1 LYS 105 HZ1 LYS 105 -7.487 -8.342 -2.021 882 HZ2 LYS 105 HZ2 LYS 105 -9.146 -8.519 -1.754 883 HZ3 LYS 105 HZ3 LYS 105 -8.372 -7.093 -1.297 884 H GLU 106 H GLU 106 -3.452 -8.023 -6.753 885 HA GLU 106 HA GLU 106 -4.384 -10.512 -7.748 886 HB2 GLU 106 HB2 GLU 106 -3.640 -8.734 -9.249 887 HB3 GLU 106 HB3 GLU 106 -2.027 -8.791 -8.557 888 HG2 GLU 106 HG2 GLU 106 -1.704 -11.029 -9.448 889 HG3 GLU 106 HG3 GLU 106 -3.341 -11.017 -10.099 890 H THR 107 H THR 107 -1.499 -9.406 -6.155 891 HA THR 107 HA THR 107 -0.087 -11.866 -6.223 892 HB THR 107 HB THR 107 0.217 -9.553 -4.284 893 HG1 THR 107 HG1 THR 107 0.600 -8.724 -6.304 894 HG21 THR 107 HG21 THR 107 2.154 -11.724 -5.102 895 HG22 THR 107 HG22 THR 107 1.347 -11.606 -3.539 896 HG23 THR 107 HG23 THR 107 2.513 -10.376 -4.027 897 H GLU 108 H GLU 108 -2.107 -10.258 -3.735 898 HA GLU 108 HA GLU 108 -2.178 -12.026 -1.705 899 HB2 GLU 108 HB2 GLU 108 -3.404 -9.937 -1.708 900 HB3 GLU 108 HB3 GLU 108 -4.456 -10.512 -2.990 901 HG2 GLU 108 HG2 GLU 108 -4.859 -12.394 -1.072 902 HG3 GLU 108 HG3 GLU 108 -4.589 -10.949 -0.102 903 H GLN 109 H GLN 109 -4.365 -12.136 -4.522 904 HA GLN 109 HA GLN 109 -5.643 -14.524 -3.854 905 HB2 GLN 109 HB2 GLN 109 -5.204 -13.339 -6.597 906 HB3 GLN 109 HB3 GLN 109 -6.364 -14.604 -6.207 907 HG2 GLN 109 HG2 GLN 109 -7.481 -13.039 -4.655 908 HG3 GLN 109 HG3 GLN 109 -6.375 -11.775 -5.184 909 HE21 GLN 109 HE21 GLN 109 -9.244 -11.865 -5.360 910 HE22 GLN 109 HE22 GLN 109 -9.641 -11.723 -7.042 911 H LYS 110 H LYS 110 -2.648 -13.959 -5.590 912 HA LYS 110 HA LYS 110 -2.333 -16.594 -6.569 913 HB2 LYS 110 HB2 LYS 110 -0.621 -14.209 -6.304 914 HB3 LYS 110 HB3 LYS 110 0.229 -15.745 -6.364 915 HG2 LYS 110 HG2 LYS 110 -0.056 -14.618 -8.569 916 HG3 LYS 110 HG3 LYS 110 -0.686 -16.263 -8.497 917 HD2 LYS 110 HD2 LYS 110 -2.949 -15.400 -8.229 918 HD3 LYS 110 HD3 LYS 110 -2.334 -13.748 -8.219 919 HE2 LYS 110 HE2 LYS 110 -3.272 -14.398 -10.403 920 HE3 LYS 110 HE3 LYS 110 -1.564 -13.982 -10.496 921 HZ1 LYS 110 HZ1 LYS 110 -1.024 -16.331 -10.501 922 HZ2 LYS 110 HZ2 LYS 110 -2.073 -15.963 -11.772 923 HZ3 LYS 110 HZ3 LYS 110 -2.666 -16.737 -10.392 924 H VAL 111 H VAL 111 -1.139 -15.026 -3.630 925 HA VAL 111 HA VAL 111 0.335 -17.192 -2.608 926 HB VAL 111 HB VAL 111 -1.187 -15.125 -0.990 927 HG11 VAL 111 HG11 VAL 111 1.224 -16.800 -0.292 928 HG12 VAL 111 HG12 VAL 111 -0.412 -17.012 0.334 929 HG13 VAL 111 HG13 VAL 111 0.502 -15.558 0.733 930 HG21 VAL 111 HG21 VAL 111 1.657 -14.997 -1.988 931 HG22 VAL 111 HG22 VAL 111 0.833 -13.786 -1.007 932 HG23 VAL 111 HG23 VAL 111 0.304 -14.089 -2.662 933 H LYS 112 H LYS 112 -3.016 -16.214 -2.131 934 HA LYS 112 HA LYS 112 -3.725 -18.417 -0.469 935 HB2 LYS 112 HB2 LYS 112 -5.378 -16.422 -2.020 936 HB3 LYS 112 HB3 LYS 112 -6.056 -17.601 -0.903 937 HG2 LYS 112 HG2 LYS 112 -5.196 -16.550 0.951 938 HG3 LYS 112 HG3 LYS 112 -3.896 -15.781 0.043 939 HD2 LYS 112 HD2 LYS 112 -5.573 -14.154 0.779 940 HD3 LYS 112 HD3 LYS 112 -5.491 -14.256 -0.978 941 HE2 LYS 112 HE2 LYS 112 -7.480 -15.568 -1.058 942 HE3 LYS 112 HE3 LYS 112 -7.520 -15.715 0.697 943 HZ1 LYS 112 HZ1 LYS 112 -9.072 -14.038 -0.146 944 HZ2 LYS 112 HZ2 LYS 112 -7.778 -13.150 -0.793 945 HZ3 LYS 112 HZ3 LYS 112 -7.910 -13.367 0.876 946 H ASP 113 H ASP 113 -3.286 -18.068 -3.806 947 HA ASP 113 HA ASP 113 -5.108 -20.083 -4.707 948 HB2 ASP 113 HB2 ASP 113 -4.366 -18.352 -6.247 949 HB3 ASP 113 HB3 ASP 113 -2.688 -18.816 -6.012 950 H ILE 114 H ILE 114 -1.791 -19.993 -3.543 951 HA ILE 114 HA ILE 114 -1.136 -22.623 -4.441 952 HB ILE 114 HB ILE 114 0.199 -20.537 -2.792 953 HG12 ILE 114 HG12 ILE 114 2.089 -21.042 -4.251 954 HG13 ILE 114 HG13 ILE 114 1.229 -22.416 -4.928 955 HG21 ILE 114 HG21 ILE 114 0.407 -22.418 -1.293 956 HG22 ILE 114 HG22 ILE 114 1.966 -22.092 -2.055 957 HG23 ILE 114 HG23 ILE 114 0.976 -23.442 -2.610 958 HD11 ILE 114 HD11 ILE 114 1.230 -20.498 -6.411 959 HD12 ILE 114 HD12 ILE 114 0.410 -19.534 -5.180 960 HD13 ILE 114 HD13 ILE 114 -0.406 -20.921 -5.907 961 H GLN 115 H GLN 115 -1.655 -24.446 -3.594 962 HA GLN 115 HA GLN 115 -3.117 -24.676 -1.125 963 HB2 GLN 115 HB2 GLN 115 -3.089 -27.110 -1.623 964 HB3 GLN 115 HB3 GLN 115 -3.696 -26.146 -2.965 965 HG2 GLN 115 HG2 GLN 115 -1.480 -26.306 -4.030 966 HG3 GLN 115 HG3 GLN 115 -0.944 -27.330 -2.704 967 HE21 GLN 115 HE21 GLN 115 -1.127 -27.881 -5.568 968 HE22 GLN 115 HE22 GLN 115 -2.131 -29.277 -5.721 969 H THR 116 H THR 116 -2.181 -24.759 0.826 970 HA THR 116 HA THR 116 0.578 -25.709 0.944 971 HB THR 116 HB THR 116 0.729 -24.411 3.061 972 HG1 THR 116 HG1 THR 116 -1.410 -22.808 2.551 973 HG21 THR 116 HG21 THR 116 0.789 -22.215 1.956 974 HG22 THR 116 HG22 THR 116 -0.135 -22.888 0.608 975 HG23 THR 116 HG23 THR 116 1.491 -23.479 0.940 976 H GLN 117 H GLN 117 1.171 -26.546 3.205 977 HA GLN 117 HA GLN 117 -0.525 -28.811 3.715 978 HB2 GLN 117 HB2 GLN 117 2.149 -28.005 4.855 979 HB3 GLN 117 HB3 GLN 117 1.318 -29.500 5.250 980 HG2 GLN 117 HG2 GLN 117 2.138 -28.730 2.463 981 HG3 GLN 117 HG3 GLN 117 3.123 -29.710 3.547 982 HE21 GLN 117 HE21 GLN 117 0.254 -29.595 1.603 983 HE22 GLN 117 HE22 GLN 117 -0.072 -31.293 1.632 Start of MODEL 15 1 H GLN 1 H1 GLN 1 28.409 7.291 -4.812 2 HA GLN 1 HA GLN 1 26.754 8.998 -4.808 3 HB2 GLN 1 HB2 GLN 1 29.511 9.925 -5.636 4 HB3 GLN 1 HB3 GLN 1 28.265 11.028 -5.069 5 HG2 GLN 1 HG2 GLN 1 29.708 10.592 -3.256 6 HG3 GLN 1 HG3 GLN 1 28.221 9.702 -2.942 7 HE21 GLN 1 HE21 GLN 1 29.231 8.286 -1.582 8 HE22 GLN 1 HE22 GLN 1 30.314 7.061 -2.144 9 H GLU 2 H GLU 2 25.152 9.554 -6.082 10 HA GLU 2 HA GLU 2 25.767 10.831 -8.643 11 HB2 GLU 2 HB2 GLU 2 23.691 8.676 -8.211 12 HB3 GLU 2 HB3 GLU 2 23.769 9.694 -9.642 13 HG2 GLU 2 HG2 GLU 2 26.011 8.830 -10.118 14 HG3 GLU 2 HG3 GLU 2 25.891 7.785 -8.705 15 H HIS 3 H HIS 3 23.698 11.930 -9.497 16 HA HIS 3 HA HIS 3 22.153 13.580 -9.234 17 HB2 HIS 3 HB2 HIS 3 21.002 11.520 -8.105 18 HB3 HIS 3 HB3 HIS 3 21.335 12.365 -6.598 19 HD1 HIS 3 HD1 HIS 3 19.100 12.352 -9.538 20 HD2 HIS 3 HD2 HIS 3 19.848 14.785 -6.258 21 HE1 HIS 3 HE1 HIS 3 17.156 13.930 -9.414 22 HE2 HIS 3 HE2 HIS 3 17.830 15.592 -7.671 23 H LYS 4 H LYS 4 24.605 14.256 -8.539 24 HA LYS 4 HA LYS 4 25.009 15.298 -5.939 25 HB2 LYS 4 HB2 LYS 4 26.810 16.664 -6.903 26 HB3 LYS 4 HB3 LYS 4 26.904 14.985 -7.423 27 HG2 LYS 4 HG2 LYS 4 26.085 15.548 -9.593 28 HG3 LYS 4 HG3 LYS 4 25.693 17.191 -9.078 29 HD2 LYS 4 HD2 LYS 4 28.080 17.624 -8.686 30 HD3 LYS 4 HD3 LYS 4 28.459 15.989 -9.228 31 HE2 LYS 4 HE2 LYS 4 27.665 16.470 -11.436 32 HE3 LYS 4 HE3 LYS 4 27.042 18.036 -10.922 33 HZ1 LYS 4 HZ1 LYS 4 29.159 18.187 -12.110 34 HZ2 LYS 4 HZ2 LYS 4 29.906 17.276 -10.900 35 HZ3 LYS 4 HZ3 LYS 4 29.263 18.793 -10.542 36 HA PRO 5 HA PRO 5 22.579 18.932 -5.598 37 HB2 PRO 5 HB2 PRO 5 24.443 20.678 -4.495 38 HB3 PRO 5 HB3 PRO 5 23.467 19.522 -3.583 39 HG2 PRO 5 HG2 PRO 5 26.287 19.288 -4.541 40 HG3 PRO 5 HG3 PRO 5 25.569 18.740 -3.016 41 HD2 PRO 5 HD2 PRO 5 26.112 17.028 -4.994 42 HD3 PRO 5 HD3 PRO 5 24.665 16.836 -3.983 43 H LYS 6 H LYS 6 25.902 19.716 -6.692 44 HA LYS 6 HA LYS 6 25.028 21.953 -8.231 45 HB2 LYS 6 HB2 LYS 6 27.644 20.475 -8.066 46 HB3 LYS 6 HB3 LYS 6 27.393 21.804 -9.186 47 HG2 LYS 6 HG2 LYS 6 27.139 21.970 -6.188 48 HG3 LYS 6 HG3 LYS 6 28.515 22.531 -7.143 49 HD2 LYS 6 HD2 LYS 6 26.934 24.044 -8.368 50 HD3 LYS 6 HD3 LYS 6 25.687 23.575 -7.212 51 HE2 LYS 6 HE2 LYS 6 28.308 24.893 -6.534 52 HE3 LYS 6 HE3 LYS 6 26.742 25.695 -6.612 53 HZ1 LYS 6 HZ1 LYS 6 27.511 23.537 -4.723 54 HZ2 LYS 6 HZ2 LYS 6 25.976 24.240 -4.820 55 HZ3 LYS 6 HZ3 LYS 6 27.304 25.170 -4.350 56 H LYS 7 H LYS 7 23.340 20.767 -9.373 57 HA LYS 7 HA LYS 7 24.161 20.161 -12.026 58 HB2 LYS 7 HB2 LYS 7 24.568 17.973 -10.808 59 HB3 LYS 7 HB3 LYS 7 22.849 17.912 -10.463 60 HG2 LYS 7 HG2 LYS 7 23.458 16.488 -12.353 61 HG3 LYS 7 HG3 LYS 7 22.358 17.774 -12.844 62 HD2 LYS 7 HD2 LYS 7 24.273 19.066 -13.697 63 HD3 LYS 7 HD3 LYS 7 25.356 17.756 -13.224 64 HE2 LYS 7 HE2 LYS 7 23.095 17.532 -15.208 65 HE3 LYS 7 HE3 LYS 7 24.799 17.706 -15.621 66 HZ1 LYS 7 HZ1 LYS 7 25.247 15.612 -14.527 67 HZ2 LYS 7 HZ2 LYS 7 24.083 15.403 -15.729 68 HZ3 LYS 7 HZ3 LYS 7 23.621 15.441 -14.104 69 H ASP 8 H ASP 8 22.083 19.471 -13.296 70 HA ASP 8 HA ASP 8 20.069 21.403 -12.749 71 HB2 ASP 8 HB2 ASP 8 19.919 19.115 -14.712 72 HB3 ASP 8 HB3 ASP 8 18.991 20.610 -14.746 73 H ASP 9 H ASP 9 19.467 20.628 -10.542 74 HA ASP 9 HA ASP 9 17.703 18.314 -10.611 75 HB2 ASP 9 HB2 ASP 9 19.602 18.345 -8.967 76 HB3 ASP 9 HB3 ASP 9 18.897 19.786 -8.246 77 H PHE 10 H PHE 10 16.980 20.770 -11.787 78 HA PHE 10 HA PHE 10 15.634 22.652 -10.337 79 HB2 PHE 10 HB2 PHE 10 15.920 22.798 -12.761 80 HB3 PHE 10 HB3 PHE 10 14.786 21.473 -12.992 81 HD1 PHE 10 HD1 PHE 10 15.020 24.891 -11.543 82 HD2 PHE 10 HD2 PHE 10 12.540 21.931 -13.334 83 HE1 PHE 10 HE1 PHE 10 13.167 26.505 -11.641 84 HE2 PHE 10 HE2 PHE 10 10.686 23.540 -13.434 85 HZ PHE 10 HZ PHE 10 10.998 25.830 -12.587 86 H ARG 11 H ARG 11 14.446 19.416 -11.215 87 HA ARG 11 HA ARG 11 11.910 19.933 -9.934 88 HB2 ARG 11 HB2 ARG 11 13.073 17.385 -11.064 89 HB3 ARG 11 HB3 ARG 11 11.443 17.559 -10.438 90 HG2 ARG 11 HG2 ARG 11 10.931 19.171 -12.189 91 HG3 ARG 11 HG3 ARG 11 12.578 19.022 -12.809 92 HD2 ARG 11 HD2 ARG 11 12.188 16.621 -13.180 93 HD3 ARG 11 HD3 ARG 11 10.525 16.827 -12.636 94 HE ARG 11 HE ARG 11 10.631 18.590 -14.613 95 HH11 ARG 11 HH11 ARG 11 11.774 15.282 -14.442 96 HH12 ARG 11 HH12 ARG 11 11.531 14.974 -16.124 97 HH21 ARG 11 HH21 ARG 11 10.295 18.180 -16.856 98 HH22 ARG 11 HH22 ARG 11 10.689 16.621 -17.497 99 H ASN 12 H ASN 12 12.737 20.478 -7.868 100 HA ASN 12 HA ASN 12 13.634 18.141 -6.321 101 HB2 ASN 12 HB2 ASN 12 15.260 20.094 -6.494 102 HB3 ASN 12 HB3 ASN 12 14.093 21.042 -5.582 103 HD21 ASN 12 HD21 ASN 12 16.431 18.486 -5.478 104 HD22 ASN 12 HD22 ASN 12 16.474 18.323 -3.751 105 H GLU 13 H GLU 13 12.568 17.696 -4.415 106 HA GLU 13 HA GLU 13 9.881 18.666 -4.268 107 HB2 GLU 13 HB2 GLU 13 11.407 16.760 -2.480 108 HB3 GLU 13 HB3 GLU 13 9.691 17.111 -2.317 109 HG2 GLU 13 HG2 GLU 13 9.315 16.238 -4.588 110 HG3 GLU 13 HG3 GLU 13 11.026 15.839 -4.704 111 H PHE 14 H PHE 14 9.442 18.665 -1.509 112 HA PHE 14 HA PHE 14 10.969 20.995 -0.602 113 HB2 PHE 14 HB2 PHE 14 7.955 20.707 -0.461 114 HB3 PHE 14 HB3 PHE 14 8.878 21.979 0.319 115 HD1 PHE 14 HD2 PHE 14 9.972 23.722 -1.014 116 HD2 PHE 14 HD1 PHE 14 7.506 20.765 -2.828 117 HE1 PHE 14 HE2 PHE 14 9.822 25.095 -3.054 118 HE2 PHE 14 HE1 PHE 14 7.354 22.131 -4.863 119 HZ PHE 14 HZ PHE 14 8.512 24.299 -4.978 120 H ASP 15 H ASP 15 9.967 21.406 1.834 121 HA ASP 15 HA ASP 15 11.137 19.447 3.410 122 HB2 ASP 15 HB2 ASP 15 9.008 21.448 4.187 123 HB3 ASP 15 HB3 ASP 15 10.006 20.545 5.321 124 H HIS 16 H HIS 16 7.618 20.052 3.088 125 HA HIS 16 HA HIS 16 7.037 17.315 2.764 126 HB2 HIS 16 HB2 HIS 16 5.847 16.798 4.832 127 HB3 HIS 16 HB3 HIS 16 7.521 17.187 5.179 128 HD1 HIS 16 HD1 HIS 16 4.127 17.964 6.164 129 HD2 HIS 16 HD2 HIS 16 7.800 19.892 6.322 130 HE1 HIS 16 HE1 HIS 16 3.859 19.779 7.875 131 HE2 HIS 16 HE2 HIS 16 6.145 20.801 8.086 132 H LEU 17 H LEU 17 5.749 17.741 1.149 133 HA LEU 17 HA LEU 17 3.415 19.437 1.668 134 HB2 LEU 17 HB2 LEU 17 3.212 19.744 -0.754 135 HB3 LEU 17 HB3 LEU 17 4.769 20.260 -0.139 136 HG LEU 17 HG LEU 17 4.577 17.547 -1.352 137 HD11 LEU 17 HD11 LEU 17 5.016 18.532 -3.564 138 HD12 LEU 17 HD12 LEU 17 4.696 20.134 -2.898 139 HD13 LEU 17 HD13 LEU 17 3.409 18.931 -2.965 140 HD21 LEU 17 HD21 LEU 17 6.856 18.053 -1.994 141 HD22 LEU 17 HD22 LEU 17 6.652 18.400 -0.273 142 HD23 LEU 17 HD23 LEU 17 6.664 19.715 -1.441 143 H LEU 18 H LEU 18 1.538 18.702 -0.009 144 HA LEU 18 HA LEU 18 0.556 16.298 1.120 145 HB2 LEU 18 HB2 LEU 18 -0.475 17.747 -1.317 146 HB3 LEU 18 HB3 LEU 18 -1.355 16.592 -0.341 147 HG LEU 18 HG LEU 18 -0.380 19.261 0.671 148 HD11 LEU 18 HD11 LEU 18 -2.047 19.584 -1.054 149 HD12 LEU 18 HD12 LEU 18 -2.723 19.952 0.532 150 HD13 LEU 18 HD13 LEU 18 -3.115 18.428 -0.262 151 HD21 LEU 18 HD21 LEU 18 -0.644 17.578 2.415 152 HD22 LEU 18 HD22 LEU 18 -2.278 17.233 1.851 153 HD23 LEU 18 HD23 LEU 18 -1.896 18.813 2.537 154 H ILE 19 H ILE 19 1.520 17.061 -2.226 155 HA ILE 19 HA ILE 19 1.292 14.411 -3.158 156 HB ILE 19 HB ILE 19 2.801 16.804 -4.237 157 HG12 ILE 19 HG12 ILE 19 0.343 16.829 -4.335 158 HG13 ILE 19 HG13 ILE 19 1.057 16.773 -5.944 159 HG21 ILE 19 HG21 ILE 19 4.041 14.811 -4.948 160 HG22 ILE 19 HG22 ILE 19 3.201 15.568 -6.306 161 HG23 ILE 19 HG23 ILE 19 2.544 14.108 -5.567 162 HD11 ILE 19 HD11 ILE 19 0.615 14.354 -6.024 163 HD12 ILE 19 HD12 ILE 19 -0.854 15.300 -5.817 164 HD13 ILE 19 HD13 ILE 19 -0.156 14.457 -4.443 165 H GLU 20 H GLU 20 3.705 16.020 -1.357 166 HA GLU 20 HA GLU 20 5.954 14.385 -1.815 167 HB2 GLU 20 HB2 GLU 20 6.027 16.555 -0.689 168 HB3 GLU 20 HB3 GLU 20 5.075 15.927 0.636 169 HG2 GLU 20 HG2 GLU 20 7.762 14.802 -0.039 170 HG3 GLU 20 HG3 GLU 20 7.564 16.282 0.908 171 H GLN 21 H GLN 21 3.485 14.322 0.726 172 HA GLN 21 HA GLN 21 4.303 11.959 1.981 173 HB2 GLN 21 HB2 GLN 21 1.586 13.265 1.804 174 HB3 GLN 21 HB3 GLN 21 1.947 11.906 2.856 175 HG2 GLN 21 HG2 GLN 21 3.382 14.547 2.993 176 HG3 GLN 21 HG3 GLN 21 1.962 14.150 3.956 177 HE21 GLN 21 HE21 GLN 21 5.359 13.658 3.515 178 HE22 GLN 21 HE22 GLN 21 5.617 12.746 4.962 179 H ALA 22 H ALA 22 2.277 12.515 -0.831 180 HA ALA 22 HA ALA 22 1.145 9.867 -0.835 181 HB1 ALA 22 HB1 ALA 22 0.083 10.539 -2.918 182 HB2 ALA 22 HB2 ALA 22 1.069 12.001 -2.963 183 HB3 ALA 22 HB3 ALA 22 -0.124 11.781 -1.683 184 H ASN 23 H ASN 23 3.405 11.623 -2.803 185 HA ASN 23 HA ASN 23 3.938 9.481 -4.613 186 HB2 ASN 23 HB2 ASN 23 5.430 10.815 -5.749 187 HB3 ASN 23 HB3 ASN 23 4.521 12.049 -4.892 188 HD21 ASN 23 HD21 ASN 23 5.544 13.264 -3.353 189 HD22 ASN 23 HD22 ASN 23 7.260 13.222 -3.085 190 H HIS 24 H HIS 24 5.392 10.382 -1.578 191 HA HIS 24 HA HIS 24 7.540 8.529 -1.892 192 HB2 HIS 24 HB2 HIS 24 6.548 10.075 0.490 193 HB3 HIS 24 HB3 HIS 24 7.866 8.916 0.603 194 HD1 HIS 24 HD1 HIS 24 7.788 12.246 0.792 195 HD2 HIS 24 HD2 HIS 24 9.496 9.810 -2.114 196 HE1 HIS 24 HE1 HIS 24 9.564 13.627 -0.297 197 HE2 HIS 24 HE2 HIS 24 10.321 12.262 -2.243 198 H ALA 25 H ALA 25 4.318 8.401 -0.255 199 HA ALA 25 HA ALA 25 4.761 5.931 0.950 200 HB1 ALA 25 HB1 ALA 25 2.978 7.486 1.586 201 HB2 ALA 25 HB2 ALA 25 2.348 5.881 1.214 202 HB3 ALA 25 HB3 ALA 25 2.178 7.191 0.043 203 H ILE 26 H ILE 26 3.307 6.810 -2.193 204 HA ILE 26 HA ILE 26 2.671 4.130 -2.847 205 HB ILE 26 HB ILE 26 2.338 4.901 -5.174 206 HG12 ILE 26 HG12 ILE 26 2.418 7.593 -5.251 207 HG13 ILE 26 HG13 ILE 26 3.775 7.299 -4.170 208 HG21 ILE 26 HG21 ILE 26 1.120 6.681 -3.079 209 HG22 ILE 26 HG22 ILE 26 0.529 5.100 -3.595 210 HG23 ILE 26 HG23 ILE 26 0.506 6.461 -4.716 211 HD11 ILE 26 HD11 ILE 26 4.511 7.499 -6.476 212 HD12 ILE 26 HD12 ILE 26 3.442 6.175 -6.944 213 HD13 ILE 26 HD13 ILE 26 4.806 5.870 -5.865 214 H GLU 27 H GLU 27 5.542 6.073 -3.300 215 HA GLU 27 HA GLU 27 6.941 4.356 -5.038 216 HB2 GLU 27 HB2 GLU 27 7.719 6.616 -4.522 217 HB3 GLU 27 HB3 GLU 27 7.972 6.163 -2.843 218 HG2 GLU 27 HG2 GLU 27 9.633 4.460 -3.690 219 HG3 GLU 27 HG3 GLU 27 9.505 5.256 -5.257 220 H LYS 28 H LYS 28 6.735 4.518 -1.502 221 HA LYS 28 HA LYS 28 8.482 2.368 -0.983 222 HB2 LYS 28 HB2 LYS 28 7.829 4.050 0.705 223 HB3 LYS 28 HB3 LYS 28 6.195 3.409 0.700 224 HG2 LYS 28 HG2 LYS 28 7.046 1.253 1.506 225 HG3 LYS 28 HG3 LYS 28 8.675 1.927 1.551 226 HD2 LYS 28 HD2 LYS 28 6.406 3.191 3.063 227 HD3 LYS 28 HD3 LYS 28 7.316 1.845 3.738 228 HE2 LYS 28 HE2 LYS 28 8.297 3.850 4.592 229 HE3 LYS 28 HE3 LYS 28 9.410 3.195 3.401 230 HZ1 LYS 28 HZ1 LYS 28 8.723 4.844 1.830 231 HZ2 LYS 28 HZ2 LYS 28 9.078 5.632 3.281 232 HZ3 LYS 28 HZ3 LYS 28 7.471 5.368 2.840 233 H GLY 29 H GLY 29 4.941 2.573 -1.384 234 HA2 GLY 29 HA2 GLY 29 4.343 -0.089 -0.787 235 HA3 GLY 29 HA3 GLY 29 3.383 0.981 -1.795 236 H GLU 30 H GLU 30 5.196 1.489 -3.791 237 HA GLU 30 HA GLU 30 4.796 -0.596 -5.588 238 HB2 GLU 30 HB2 GLU 30 5.209 1.669 -6.311 239 HB3 GLU 30 HB3 GLU 30 6.807 1.656 -5.583 240 HG2 GLU 30 HG2 GLU 30 7.457 -0.118 -7.198 241 HG3 GLU 30 HG3 GLU 30 5.885 0.088 -7.975 242 H HIS 31 H HIS 31 7.696 0.322 -3.789 243 HA HIS 31 HA HIS 31 9.278 -1.762 -4.872 244 HB2 HIS 31 HB2 HIS 31 9.733 -0.006 -2.459 245 HB3 HIS 31 HB3 HIS 31 10.921 -1.148 -3.084 246 HD1 HIS 31 HD1 HIS 31 10.947 2.159 -3.028 247 HD2 HIS 31 HD2 HIS 31 10.558 -0.384 -6.294 248 HE1 HIS 31 HE1 HIS 31 11.677 3.496 -5.020 249 HE2 HIS 31 HE2 HIS 31 11.603 1.881 -6.946 250 H GLN 32 H GLN 32 7.448 -1.501 -1.843 251 HA GLN 32 HA GLN 32 8.378 -4.008 -0.846 252 HB2 GLN 32 HB2 GLN 32 6.701 -3.815 0.879 253 HB3 GLN 32 HB3 GLN 32 7.390 -2.232 0.609 254 HG2 GLN 32 HG2 GLN 32 5.139 -1.774 0.842 255 HG3 GLN 32 HG3 GLN 32 5.347 -1.828 -0.904 256 HE21 GLN 32 HE21 GLN 32 5.223 -4.707 1.114 257 HE22 GLN 32 HE22 GLN 32 3.706 -5.268 0.519 258 H LEU 33 H LEU 33 5.794 -3.071 -3.007 259 HA LEU 33 HA LEU 33 4.425 -5.544 -3.046 260 HB2 LEU 33 HB2 LEU 33 3.387 -3.545 -3.944 261 HB3 LEU 33 HB3 LEU 33 4.674 -3.338 -5.106 262 HG LEU 33 HG LEU 33 2.350 -4.215 -5.887 263 HD11 LEU 33 HD11 LEU 33 4.284 -4.023 -7.341 264 HD12 LEU 33 HD12 LEU 33 3.363 -5.486 -7.690 265 HD13 LEU 33 HD13 LEU 33 4.872 -5.592 -6.781 266 HD21 LEU 33 HD21 LEU 33 2.186 -6.038 -4.230 267 HD22 LEU 33 HD22 LEU 33 3.580 -6.825 -4.975 268 HD23 LEU 33 HD23 LEU 33 2.087 -6.626 -5.889 269 H LEU 34 H LEU 34 7.119 -4.235 -5.005 270 HA LEU 34 HA LEU 34 7.365 -6.475 -6.685 271 HB2 LEU 34 HB2 LEU 34 9.463 -4.480 -5.832 272 HB3 LEU 34 HB3 LEU 34 9.549 -5.532 -7.229 273 HG LEU 34 HG LEU 34 7.543 -3.306 -6.866 274 HD11 LEU 34 HD11 LEU 34 10.025 -3.428 -8.569 275 HD12 LEU 34 HD12 LEU 34 9.805 -2.447 -7.120 276 HD13 LEU 34 HD13 LEU 34 8.838 -2.122 -8.558 277 HD21 LEU 34 HD21 LEU 34 7.056 -3.686 -9.237 278 HD22 LEU 34 HD22 LEU 34 6.707 -5.117 -8.270 279 HD23 LEU 34 HD23 LEU 34 8.173 -5.048 -9.247 280 H TYR 35 H TYR 35 8.624 -5.649 -3.493 281 HA TYR 35 HA TYR 35 10.585 -7.669 -3.391 282 HB2 TYR 35 HB2 TYR 35 10.783 -5.785 -1.910 283 HB3 TYR 35 HB3 TYR 35 9.194 -6.094 -1.219 284 HD1 TYR 35 HD1 TYR 35 12.490 -7.807 -1.672 285 HD2 TYR 35 HD2 TYR 35 9.090 -7.194 0.802 286 HE1 TYR 35 HE1 TYR 35 13.513 -9.210 0.072 287 HE2 TYR 35 HE2 TYR 35 10.087 -8.603 2.545 288 HH TYR 35 HH TYR 35 11.742 -10.283 2.831 289 H LEU 36 H LEU 36 7.265 -7.477 -1.958 290 HA LEU 36 HA LEU 36 7.306 -10.043 -0.831 291 HB2 LEU 36 HB2 LEU 36 5.273 -7.985 -1.432 292 HB3 LEU 36 HB3 LEU 36 4.671 -9.620 -1.261 293 HG LEU 36 HG LEU 36 4.468 -8.364 0.823 294 HD11 LEU 36 HD11 LEU 36 4.791 -10.767 0.948 295 HD12 LEU 36 HD12 LEU 36 5.543 -9.953 2.318 296 HD13 LEU 36 HD13 LEU 36 6.540 -10.544 0.989 297 HD21 LEU 36 HD21 LEU 36 7.472 -8.194 0.755 298 HD22 LEU 36 HD22 LEU 36 6.430 -7.658 2.074 299 HD23 LEU 36 HD23 LEU 36 6.364 -6.845 0.509 300 H GLN 37 H GLN 37 6.548 -8.885 -4.029 301 HA GLN 37 HA GLN 37 5.200 -11.077 -5.064 302 HB2 GLN 37 HB2 GLN 37 5.871 -8.744 -6.099 303 HB3 GLN 37 HB3 GLN 37 7.248 -9.645 -6.713 304 HG2 GLN 37 HG2 GLN 37 5.524 -9.570 -8.374 305 HG3 GLN 37 HG3 GLN 37 5.708 -11.226 -7.793 306 HE21 GLN 37 HE21 GLN 37 4.075 -8.644 -6.065 307 HE22 GLN 37 HE22 GLN 37 2.489 -9.326 -6.172 308 H HIS 38 H HIS 38 8.614 -10.527 -4.464 309 HA HIS 38 HA HIS 38 9.614 -12.820 -5.835 310 HB2 HIS 38 HB2 HIS 38 10.878 -10.703 -5.006 311 HB3 HIS 38 HB3 HIS 38 10.987 -11.578 -3.480 312 HD1 HIS 38 HD1 HIS 38 12.227 -13.949 -3.612 313 HD2 HIS 38 HD2 HIS 38 12.679 -11.446 -6.891 314 HE1 HIS 38 HE1 HIS 38 14.088 -14.924 -4.955 315 HE2 HIS 38 HE2 HIS 38 14.215 -13.515 -7.020 316 H GLN 39 H GLN 39 8.684 -12.152 -2.450 317 HA GLN 39 HA GLN 39 9.314 -14.616 -1.363 318 HB2 GLN 39 HB2 GLN 39 7.205 -12.581 -0.690 319 HB3 GLN 39 HB3 GLN 39 7.256 -14.111 0.170 320 HG2 GLN 39 HG2 GLN 39 8.408 -12.342 1.406 321 HG3 GLN 39 HG3 GLN 39 9.523 -13.624 0.932 322 HE21 GLN 39 HE21 GLN 39 11.080 -13.188 -0.606 323 HE22 GLN 39 HE22 GLN 39 11.473 -11.571 -1.084 324 H LEU 40 H LEU 40 6.327 -13.566 -2.975 325 HA LEU 40 HA LEU 40 4.828 -15.855 -2.869 326 HB2 LEU 40 HB2 LEU 40 4.113 -13.716 -3.893 327 HB3 LEU 40 HB3 LEU 40 5.153 -14.035 -5.262 328 HG LEU 40 HG LEU 40 2.943 -15.957 -4.573 329 HD11 LEU 40 HD11 LEU 40 1.503 -14.710 -6.133 330 HD12 LEU 40 HD12 LEU 40 2.695 -13.410 -6.156 331 HD13 LEU 40 HD13 LEU 40 1.856 -13.813 -4.656 332 HD21 LEU 40 HD21 LEU 40 3.008 -16.422 -6.956 333 HD22 LEU 40 HD22 LEU 40 4.624 -16.592 -6.269 334 HD23 LEU 40 HD23 LEU 40 4.204 -15.151 -7.193 335 H ASP 41 H ASP 41 7.404 -15.133 -5.307 336 HA ASP 41 HA ASP 41 7.155 -17.506 -6.722 337 HB2 ASP 41 HB2 ASP 41 9.466 -15.655 -6.240 338 HB3 ASP 41 HB3 ASP 41 9.679 -17.133 -7.169 339 H GLU 42 H GLU 42 8.959 -16.831 -3.764 340 HA GLU 42 HA GLU 42 10.300 -19.345 -3.688 341 HB2 GLU 42 HB2 GLU 42 10.996 -17.244 -2.467 342 HB3 GLU 42 HB3 GLU 42 9.654 -17.518 -1.368 343 HG2 GLU 42 HG2 GLU 42 11.678 -18.304 -0.375 344 HG3 GLU 42 HG3 GLU 42 10.637 -19.678 -0.753 345 H LEU 43 H LEU 43 7.456 -18.001 -2.225 346 HA LEU 43 HA LEU 43 6.596 -20.156 -0.661 347 HB2 LEU 43 HB2 LEU 43 5.563 -17.948 -0.516 348 HB3 LEU 43 HB3 LEU 43 4.863 -18.158 -2.111 349 HG LEU 43 HG LEU 43 3.595 -20.132 -1.183 350 HD11 LEU 43 HD11 LEU 43 4.979 -20.598 0.730 351 HD12 LEU 43 HD12 LEU 43 3.317 -20.273 1.220 352 HD13 LEU 43 HD13 LEU 43 4.559 -19.038 1.438 353 HD21 LEU 43 HD21 LEU 43 1.906 -18.754 -0.078 354 HD22 LEU 43 HD22 LEU 43 2.526 -17.977 -1.534 355 HD23 LEU 43 HD23 LEU 43 3.067 -17.434 0.054 356 H ASN 44 H ASN 44 5.937 -19.496 -4.113 357 HA ASN 44 HA ASN 44 4.142 -21.575 -4.560 358 HB2 ASN 44 HB2 ASN 44 6.114 -20.144 -6.339 359 HB3 ASN 44 HB3 ASN 44 5.013 -21.368 -6.956 360 HD21 ASN 44 HD21 ASN 44 4.090 -19.771 -8.288 361 HD22 ASN 44 HD22 ASN 44 2.974 -18.613 -7.649 362 H GLU 45 H GLU 45 7.642 -21.530 -4.521 363 HA GLU 45 HA GLU 45 7.924 -24.217 -5.455 364 HB2 GLU 45 HB2 GLU 45 9.653 -22.489 -5.768 365 HB3 GLU 45 HB3 GLU 45 9.893 -22.420 -4.030 366 HG2 GLU 45 HG2 GLU 45 11.652 -23.716 -4.907 367 HG3 GLU 45 HG3 GLU 45 10.543 -24.843 -4.129 368 H ASN 46 H ASN 46 8.073 -22.665 -2.281 369 HA ASN 46 HA ASN 46 8.859 -25.130 -0.977 370 HB2 ASN 46 HB2 ASN 46 9.485 -22.675 -0.314 371 HB3 ASN 46 HB3 ASN 46 7.949 -22.714 0.542 372 HD21 ASN 46 HD21 ASN 46 10.689 -22.531 1.567 373 HD22 ASN 46 HD22 ASN 46 10.872 -23.864 2.648 374 H LYS 47 H LYS 47 5.982 -23.328 -1.439 375 HA LYS 47 HA LYS 47 3.701 -23.676 -0.911 376 HB2 LYS 47 HB2 LYS 47 4.683 -26.534 -0.715 377 HB3 LYS 47 HB3 LYS 47 2.988 -26.064 -0.705 378 HG2 LYS 47 HG2 LYS 47 4.873 -25.435 -2.965 379 HG3 LYS 47 HG3 LYS 47 3.859 -26.878 -2.904 380 HD2 LYS 47 HD2 LYS 47 1.855 -25.512 -2.860 381 HD3 LYS 47 HD3 LYS 47 2.819 -24.041 -2.771 382 HE2 LYS 47 HE2 LYS 47 1.956 -24.483 -5.040 383 HE3 LYS 47 HE3 LYS 47 3.715 -24.437 -4.974 384 HZ1 LYS 47 HZ1 LYS 47 2.062 -26.905 -5.024 385 HZ2 LYS 47 HZ2 LYS 47 3.751 -26.843 -4.999 386 HZ3 LYS 47 HZ3 LYS 47 2.903 -26.253 -6.332 387 H SER 48 H SER 48 5.649 -23.164 1.162 388 HA SER 48 HA SER 48 5.021 -24.656 3.529 389 HB2 SER 48 HB2 SER 48 6.440 -22.028 3.169 390 HB3 SER 48 HB3 SER 48 6.191 -22.775 4.749 391 HG SER 48 HG SER 48 7.269 -24.374 2.733 392 H LYS 49 H LYS 49 3.213 -24.591 4.697 393 HA LYS 49 HA LYS 49 1.178 -22.731 4.266 394 HB2 LYS 49 HB2 LYS 49 0.034 -23.762 6.162 395 HB3 LYS 49 HB3 LYS 49 0.768 -25.002 5.159 396 HG2 LYS 49 HG2 LYS 49 2.065 -23.973 7.665 397 HG3 LYS 49 HG3 LYS 49 0.927 -25.320 7.658 398 HD2 LYS 49 HD2 LYS 49 2.416 -26.455 5.994 399 HD3 LYS 49 HD3 LYS 49 3.586 -25.157 6.240 400 HE2 LYS 49 HE2 LYS 49 4.195 -27.053 7.593 401 HE3 LYS 49 HE3 LYS 49 3.663 -25.732 8.632 402 HZ1 LYS 49 HZ1 LYS 49 2.800 -28.035 9.160 403 HZ2 LYS 49 HZ2 LYS 49 1.814 -27.881 7.784 404 HZ3 LYS 49 HZ3 LYS 49 1.652 -26.799 9.073 405 H GLU 50 H GLU 50 3.637 -22.908 6.781 406 HA GLU 50 HA GLU 50 2.777 -20.688 8.274 407 HB2 GLU 50 HB2 GLU 50 5.256 -20.634 9.013 408 HB3 GLU 50 HB3 GLU 50 4.294 -22.056 9.400 409 HG2 GLU 50 HG2 GLU 50 5.263 -23.259 7.533 410 HG3 GLU 50 HG3 GLU 50 6.166 -21.826 7.051 411 H LEU 51 H LEU 51 5.044 -20.903 5.574 412 HA LEU 51 HA LEU 51 5.829 -18.186 5.634 413 HB2 LEU 51 HB2 LEU 51 7.084 -19.890 4.378 414 HB3 LEU 51 HB3 LEU 51 5.735 -20.081 3.279 415 HG LEU 51 HG LEU 51 6.057 -17.749 2.508 416 HD11 LEU 51 HD11 LEU 51 7.078 -16.806 4.497 417 HD12 LEU 51 HD12 LEU 51 8.115 -16.563 3.089 418 HD13 LEU 51 HD13 LEU 51 8.503 -17.820 4.263 419 HD21 LEU 51 HD21 LEU 51 8.488 -19.519 2.310 420 HD22 LEU 51 HD22 LEU 51 8.123 -18.160 1.248 421 HD23 LEU 51 HD23 LEU 51 7.065 -19.572 1.269 422 H GLN 52 H GLN 52 3.238 -19.908 3.985 423 HA GLN 52 HA GLN 52 2.188 -17.845 2.438 424 HB2 GLN 52 HB2 GLN 52 1.413 -20.148 2.228 425 HB3 GLN 52 HB3 GLN 52 0.741 -20.090 3.852 426 HG2 GLN 52 HG2 GLN 52 -0.816 -18.324 3.102 427 HG3 GLN 52 HG3 GLN 52 -0.184 -18.508 1.467 428 HE21 GLN 52 HE21 GLN 52 -2.135 -19.903 3.961 429 HE22 GLN 52 HE22 GLN 52 -2.832 -21.156 2.996 430 H GLU 53 H GLU 53 1.464 -18.752 5.779 431 HA GLU 53 HA GLU 53 -0.540 -16.829 6.169 432 HB2 GLU 53 HB2 GLU 53 1.154 -18.418 8.063 433 HB3 GLU 53 HB3 GLU 53 -0.034 -17.256 8.634 434 HG2 GLU 53 HG2 GLU 53 -1.759 -18.485 7.323 435 HG3 GLU 53 HG3 GLU 53 -0.539 -19.709 6.977 436 H LYS 54 H LYS 54 2.945 -16.725 6.865 437 HA LYS 54 HA LYS 54 2.917 -14.198 8.136 438 HB2 LYS 54 HB2 LYS 54 5.146 -15.499 6.560 439 HB3 LYS 54 HB3 LYS 54 5.328 -14.162 7.684 440 HG2 LYS 54 HG2 LYS 54 4.553 -15.620 9.509 441 HG3 LYS 54 HG3 LYS 54 4.444 -16.957 8.365 442 HD2 LYS 54 HD2 LYS 54 6.518 -17.307 9.341 443 HD3 LYS 54 HD3 LYS 54 6.935 -16.418 7.878 444 HE2 LYS 54 HE2 LYS 54 6.580 -15.163 10.602 445 HE3 LYS 54 HE3 LYS 54 8.132 -15.635 9.919 446 HZ1 LYS 54 HZ1 LYS 54 7.627 -14.086 8.054 447 HZ2 LYS 54 HZ2 LYS 54 7.856 -13.342 9.545 448 HZ3 LYS 54 HZ3 LYS 54 6.295 -13.526 8.937 449 H ILE 55 H ILE 55 3.367 -15.186 4.828 450 HA ILE 55 HA ILE 55 3.886 -12.647 3.709 451 HB ILE 55 HB ILE 55 2.631 -15.098 2.449 452 HG12 ILE 55 HG12 ILE 55 5.369 -13.838 2.153 453 HG13 ILE 55 HG13 ILE 55 5.003 -15.247 3.140 454 HG21 ILE 55 HG21 ILE 55 3.476 -12.547 1.068 455 HG22 ILE 55 HG22 ILE 55 1.822 -13.130 1.247 456 HG23 ILE 55 HG23 ILE 55 2.973 -14.035 0.264 457 HD11 ILE 55 HD11 ILE 55 6.034 -15.842 1.008 458 HD12 ILE 55 HD12 ILE 55 4.689 -15.087 0.150 459 HD13 ILE 55 HD13 ILE 55 4.409 -16.505 1.165 460 H ILE 56 H ILE 56 0.824 -14.365 4.209 461 HA ILE 56 HA ILE 56 -0.819 -12.317 3.141 462 HB ILE 56 HB ILE 56 -1.500 -14.519 5.108 463 HG12 ILE 56 HG12 ILE 56 -1.962 -14.313 2.124 464 HG13 ILE 56 HG13 ILE 56 -0.712 -15.286 2.892 465 HG21 ILE 56 HG21 ILE 56 -3.357 -12.731 3.533 466 HG22 ILE 56 HG22 ILE 56 -3.124 -12.704 5.281 467 HG23 ILE 56 HG23 ILE 56 -3.847 -14.116 4.509 468 HD11 ILE 56 HD11 ILE 56 -2.602 -16.649 2.223 469 HD12 ILE 56 HD12 ILE 56 -3.682 -15.655 3.202 470 HD13 ILE 56 HD13 ILE 56 -2.434 -16.631 3.979 471 H ARG 57 H ARG 57 0.465 -12.921 6.378 472 HA ARG 57 HA ARG 57 -1.202 -11.060 7.721 473 HB2 ARG 57 HB2 ARG 57 1.134 -12.691 8.393 474 HB3 ARG 57 HB3 ARG 57 1.105 -11.148 9.231 475 HG2 ARG 57 HG2 ARG 57 0.048 -12.867 10.571 476 HG3 ARG 57 HG3 ARG 57 -1.138 -11.654 10.084 477 HD2 ARG 57 HD2 ARG 57 -1.894 -13.130 8.285 478 HD3 ARG 57 HD3 ARG 57 -0.711 -14.337 8.775 479 HE ARG 57 HE ARG 57 -2.982 -13.467 10.450 480 HH11 ARG 57 HH11 ARG 57 -0.682 -15.895 9.447 481 HH12 ARG 57 HH12 ARG 57 -1.480 -17.204 10.249 482 HH21 ARG 57 HH21 ARG 57 -4.040 -15.196 11.577 483 HH22 ARG 57 HH22 ARG 57 -3.384 -16.793 11.486 484 H GLU 58 H GLU 58 2.102 -10.778 6.381 485 HA GLU 58 HA GLU 58 2.275 -8.038 7.095 486 HB2 GLU 58 HB2 GLU 58 3.947 -9.903 5.515 487 HB3 GLU 58 HB3 GLU 58 4.149 -8.183 5.207 488 HG2 GLU 58 HG2 GLU 58 4.224 -9.309 7.974 489 HG3 GLU 58 HG3 GLU 58 5.670 -9.247 6.959 490 H LEU 59 H LEU 59 1.119 -9.760 4.247 491 HA LEU 59 HA LEU 59 0.978 -7.589 2.498 492 HB2 LEU 59 HB2 LEU 59 0.675 -10.140 2.133 493 HB3 LEU 59 HB3 LEU 59 -0.985 -9.866 2.608 494 HG LEU 59 HG LEU 59 -1.338 -8.424 0.682 495 HD11 LEU 59 HD11 LEU 59 0.445 -8.193 -1.007 496 HD12 LEU 59 HD12 LEU 59 1.576 -8.950 0.117 497 HD13 LEU 59 HD13 LEU 59 0.839 -7.396 0.513 498 HD21 LEU 59 HD21 LEU 59 -1.064 -10.086 -1.074 499 HD22 LEU 59 HD22 LEU 59 -1.653 -10.823 0.417 500 HD23 LEU 59 HD23 LEU 59 0.039 -11.000 -0.045 501 H ASP 60 H ASP 60 -1.361 -8.996 4.744 502 HA ASP 60 HA ASP 60 -3.521 -7.280 4.260 503 HB2 ASP 60 HB2 ASP 60 -3.752 -9.420 5.414 504 HB3 ASP 60 HB3 ASP 60 -2.794 -8.820 6.757 505 H VAL 61 H VAL 61 -0.999 -7.067 6.781 506 HA VAL 61 HA VAL 61 -2.044 -4.748 7.996 507 HB VAL 61 HB VAL 61 -0.460 -6.148 9.186 508 HG11 VAL 61 HG11 VAL 61 1.872 -6.270 8.629 509 HG12 VAL 61 HG12 VAL 61 1.616 -5.210 7.243 510 HG13 VAL 61 HG13 VAL 61 0.880 -6.811 7.273 511 HG21 VAL 61 HG21 VAL 61 0.622 -3.384 8.708 512 HG22 VAL 61 HG22 VAL 61 1.132 -4.459 10.007 513 HG23 VAL 61 HG23 VAL 61 -0.535 -3.875 9.951 514 H VAL 62 H VAL 62 0.293 -5.111 5.358 515 HA VAL 62 HA VAL 62 0.955 -2.338 5.245 516 HB VAL 62 HB VAL 62 1.386 -4.535 3.207 517 HG11 VAL 62 HG11 VAL 62 2.465 -1.714 3.223 518 HG12 VAL 62 HG12 VAL 62 1.297 -2.370 2.078 519 HG13 VAL 62 HG13 VAL 62 2.947 -2.990 2.106 520 HG21 VAL 62 HG21 VAL 62 3.723 -4.392 3.955 521 HG22 VAL 62 HG22 VAL 62 2.635 -4.832 5.272 522 HG23 VAL 62 HG23 VAL 62 3.253 -3.184 5.152 523 H CYS 63 H CYS 63 -1.379 -4.364 3.481 524 HA CYS 63 HA CYS 63 -2.019 -2.298 1.633 525 HB2 CYS 63 HB2 CYS 63 -4.062 -3.648 1.112 526 HB3 CYS 63 HB3 CYS 63 -2.558 -4.549 0.993 527 HG CYS 63 HG CYS 63 -2.922 -6.146 3.064 528 H ALA 64 H ALA 64 -3.168 -3.125 4.826 529 HA ALA 64 HA ALA 64 -5.451 -1.445 4.808 530 HB1 ALA 64 HB1 ALA 64 -5.451 -1.793 7.220 531 HB2 ALA 64 HB2 ALA 64 -3.823 -2.469 7.121 532 HB3 ALA 64 HB3 ALA 64 -5.176 -3.313 6.362 533 H MET 65 H MET 65 -2.129 -1.010 6.049 534 HA MET 65 HA MET 65 -2.629 1.583 7.063 535 HB2 MET 65 HB2 MET 65 -0.264 1.809 7.368 536 HB3 MET 65 HB3 MET 65 -0.684 0.136 7.711 537 HG2 MET 65 HG2 MET 65 0.150 -0.556 5.565 538 HG3 MET 65 HG3 MET 65 0.463 1.115 5.116 539 HE1 MET 65 HE1 MET 65 1.493 -1.895 7.303 540 HE2 MET 65 HE2 MET 65 1.107 -0.707 8.550 541 HE3 MET 65 HE3 MET 65 2.776 -1.239 8.324 542 H ILE 66 H ILE 66 -1.417 0.434 3.951 543 HA ILE 66 HA ILE 66 -0.889 2.980 2.862 544 HB ILE 66 HB ILE 66 -1.072 0.216 1.811 545 HG12 ILE 66 HG12 ILE 66 1.015 0.861 0.664 546 HG13 ILE 66 HG13 ILE 66 0.777 2.530 1.156 547 HG21 ILE 66 HG21 ILE 66 -1.453 2.539 -0.076 548 HG22 ILE 66 HG22 ILE 66 -2.636 1.282 0.285 549 HG23 ILE 66 HG23 ILE 66 -1.137 0.866 -0.545 550 HD11 ILE 66 HD11 ILE 66 2.460 1.329 2.502 551 HD12 ILE 66 HD12 ILE 66 1.192 0.235 3.066 552 HD13 ILE 66 HD13 ILE 66 1.120 1.953 3.458 553 H GLU 67 H GLU 67 -3.769 0.926 2.781 554 HA GLU 67 HA GLU 67 -5.247 2.643 1.052 555 HB2 GLU 67 HB2 GLU 67 -5.895 0.276 2.722 556 HB3 GLU 67 HB3 GLU 67 -7.229 1.315 2.240 557 HG2 GLU 67 HG2 GLU 67 -5.258 0.210 0.266 558 HG3 GLU 67 HG3 GLU 67 -6.714 -0.662 0.745 559 H GLY 68 H GLY 68 -4.898 2.418 4.549 560 HA2 GLY 68 HA2 GLY 68 -7.033 4.153 5.189 561 HA3 GLY 68 HA3 GLY 68 -5.681 3.727 6.229 562 H ALA 69 H ALA 69 -3.565 4.659 4.785 563 HA ALA 69 HA ALA 69 -3.646 7.450 5.372 564 HB1 ALA 69 HB1 ALA 69 -1.599 6.115 5.617 565 HB2 ALA 69 HB2 ALA 69 -1.350 7.497 4.550 566 HB3 ALA 69 HB3 ALA 69 -1.549 5.881 3.870 567 H GLN 70 H GLN 70 -3.740 5.545 2.452 568 HA GLN 70 HA GLN 70 -3.527 7.700 0.585 569 HB2 GLN 70 HB2 GLN 70 -3.346 5.146 0.144 570 HB3 GLN 70 HB3 GLN 70 -5.093 5.206 -0.008 571 HG2 GLN 70 HG2 GLN 70 -3.479 7.124 -1.607 572 HG3 GLN 70 HG3 GLN 70 -3.491 5.432 -2.094 573 HE21 GLN 70 HE21 GLN 70 -5.400 4.508 -2.748 574 HE22 GLN 70 HE22 GLN 70 -6.763 5.450 -3.251 575 H GLY 71 H GLY 71 -6.157 6.152 2.178 576 HA2 GLY 71 HA2 GLY 71 -8.291 7.557 0.854 577 HA3 GLY 71 HA3 GLY 71 -8.452 6.661 2.356 578 H ALA 72 H ALA 72 -6.663 8.022 3.927 579 HA ALA 72 HA ALA 72 -8.328 10.159 4.833 580 HB1 ALA 72 HB1 ALA 72 -6.679 10.467 6.593 581 HB2 ALA 72 HB2 ALA 72 -5.543 9.427 5.732 582 HB3 ALA 72 HB3 ALA 72 -7.038 8.753 6.380 583 H LEU 73 H LEU 73 -4.977 10.074 3.620 584 HA LEU 73 HA LEU 73 -4.477 12.765 3.540 585 HB2 LEU 73 HB2 LEU 73 -2.746 11.155 3.272 586 HB3 LEU 73 HB3 LEU 73 -3.489 10.512 1.821 587 HG LEU 73 HG LEU 73 -3.074 12.778 0.773 588 HD11 LEU 73 HD11 LEU 73 -1.275 14.111 1.748 589 HD12 LEU 73 HD12 LEU 73 -1.275 13.066 3.169 590 HD13 LEU 73 HD13 LEU 73 -2.691 14.049 2.794 591 HD21 LEU 73 HD21 LEU 73 -0.743 11.059 1.590 592 HD22 LEU 73 HD22 LEU 73 -0.744 12.228 0.266 593 HD23 LEU 73 HD23 LEU 73 -1.807 10.819 0.200 594 H GLU 74 H GLU 74 -5.830 10.709 0.948 595 HA GLU 74 HA GLU 74 -5.817 12.729 -0.959 596 HB2 GLU 74 HB2 GLU 74 -7.117 11.324 -2.354 597 HB3 GLU 74 HB3 GLU 74 -6.051 10.292 -1.420 598 HG2 GLU 74 HG2 GLU 74 -7.955 9.101 -1.324 599 HG3 GLU 74 HG3 GLU 74 -8.123 10.082 0.134 600 H ARG 75 H ARG 75 -8.283 11.848 1.395 601 HA ARG 75 HA ARG 75 -10.310 13.596 0.563 602 HB2 ARG 75 HB2 ARG 75 -10.572 11.813 2.267 603 HB3 ARG 75 HB3 ARG 75 -9.588 12.741 3.380 604 HG2 ARG 75 HG2 ARG 75 -12.099 13.920 2.263 605 HG3 ARG 75 HG3 ARG 75 -12.174 12.763 3.590 606 HD2 ARG 75 HD2 ARG 75 -10.597 14.219 4.857 607 HD3 ARG 75 HD3 ARG 75 -10.717 15.404 3.557 608 HE ARG 75 HE ARG 75 -13.289 14.966 4.233 609 HH11 ARG 75 HH11 ARG 75 -10.424 15.895 6.068 610 HH12 ARG 75 HH12 ARG 75 -11.345 16.722 7.281 611 HH21 ARG 75 HH21 ARG 75 -14.480 16.061 5.860 612 HH22 ARG 75 HH22 ARG 75 -13.643 16.811 7.170 613 H GLU 76 H GLU 76 -7.563 14.126 2.727 614 HA GLU 76 HA GLU 76 -8.204 16.775 3.502 615 HB2 GLU 76 HB2 GLU 76 -5.485 15.464 3.312 616 HB3 GLU 76 HB3 GLU 76 -5.864 16.919 4.216 617 HG2 GLU 76 HG2 GLU 76 -7.035 14.208 4.760 618 HG3 GLU 76 HG3 GLU 76 -5.656 14.900 5.610 619 H LEU 77 H LEU 77 -5.800 15.572 1.182 620 HA LEU 77 HA LEU 77 -5.138 18.070 0.171 621 HB2 LEU 77 HB2 LEU 77 -4.161 16.885 -1.786 622 HB3 LEU 77 HB3 LEU 77 -3.625 16.303 -0.230 623 HG LEU 77 HG LEU 77 -5.340 14.434 -0.542 624 HD11 LEU 77 HD11 LEU 77 -5.121 15.376 -3.401 625 HD12 LEU 77 HD12 LEU 77 -6.577 15.409 -2.405 626 HD13 LEU 77 HD13 LEU 77 -5.861 13.865 -2.869 627 HD21 LEU 77 HD21 LEU 77 -3.748 13.102 -1.796 628 HD22 LEU 77 HD22 LEU 77 -2.902 14.166 -0.670 629 HD23 LEU 77 HD23 LEU 77 -2.961 14.564 -2.386 630 H LYS 78 H LYS 78 -8.120 16.349 -0.388 631 HA LYS 78 HA LYS 78 -8.576 17.356 -2.979 632 HB2 LYS 78 HB2 LYS 78 -10.131 16.001 -0.840 633 HB3 LYS 78 HB3 LYS 78 -11.003 16.759 -2.178 634 HG2 LYS 78 HG2 LYS 78 -9.013 14.504 -2.266 635 HG3 LYS 78 HG3 LYS 78 -10.723 14.450 -2.700 636 HD2 LYS 78 HD2 LYS 78 -10.207 16.043 -4.559 637 HD3 LYS 78 HD3 LYS 78 -8.498 15.878 -4.152 638 HE2 LYS 78 HE2 LYS 78 -10.367 13.758 -5.175 639 HE3 LYS 78 HE3 LYS 78 -8.914 14.405 -5.937 640 HZ1 LYS 78 HZ1 LYS 78 -7.631 13.436 -4.062 641 HZ2 LYS 78 HZ2 LYS 78 -8.402 12.290 -5.031 642 HZ3 LYS 78 HZ3 LYS 78 -9.045 12.670 -3.518 643 H ARG 79 H ARG 79 -9.226 18.353 0.322 644 HA ARG 79 HA ARG 79 -11.040 20.448 -0.272 645 HB2 ARG 79 HB2 ARG 79 -9.276 19.922 2.112 646 HB3 ARG 79 HB3 ARG 79 -10.359 21.302 2.025 647 HG2 ARG 79 HG2 ARG 79 -12.243 19.690 1.697 648 HG3 ARG 79 HG3 ARG 79 -11.097 18.387 2.031 649 HD2 ARG 79 HD2 ARG 79 -12.428 19.128 4.018 650 HD3 ARG 79 HD3 ARG 79 -10.679 19.220 4.232 651 HE ARG 79 HE ARG 79 -10.793 21.554 4.163 652 HH11 ARG 79 HH11 ARG 79 -13.980 20.108 3.848 653 HH12 ARG 79 HH12 ARG 79 -14.823 21.590 4.116 654 HH21 ARG 79 HH21 ARG 79 -11.919 23.527 4.525 655 HH22 ARG 79 HH22 ARG 79 -13.652 23.533 4.502 656 H THR 80 H THR 80 -7.639 20.175 -0.338 657 HA THR 80 HA THR 80 -7.019 22.946 -0.289 658 HB THR 80 HB THR 80 -5.403 20.697 -1.514 659 HG1 THR 80 HG1 THR 80 -5.458 19.965 0.486 660 HG21 THR 80 HG21 THR 80 -4.585 22.960 -2.003 661 HG22 THR 80 HG22 THR 80 -3.489 22.118 -0.906 662 HG23 THR 80 HG23 THR 80 -4.598 23.340 -0.281 663 H ASP 81 H ASP 81 -6.869 24.352 -2.002 664 HA ASP 81 HA ASP 81 -8.249 23.641 -4.389 665 HB2 ASP 81 HB2 ASP 81 -8.200 25.976 -3.438 666 HB3 ASP 81 HB3 ASP 81 -6.525 26.093 -3.972 667 H LEU 82 H LEU 82 -7.327 23.738 -6.502 668 HA LEU 82 HA LEU 82 -4.487 23.200 -6.628 669 HB2 LEU 82 HB2 LEU 82 -4.723 20.999 -7.751 670 HB3 LEU 82 HB3 LEU 82 -5.169 21.013 -6.068 671 HG LEU 82 HG LEU 82 -6.600 19.538 -7.344 672 HD11 LEU 82 HD11 LEU 82 -7.623 20.570 -5.437 673 HD12 LEU 82 HD12 LEU 82 -8.812 20.357 -6.721 674 HD13 LEU 82 HD13 LEU 82 -8.120 21.952 -6.415 675 HD21 LEU 82 HD21 LEU 82 -6.449 20.637 -9.520 676 HD22 LEU 82 HD22 LEU 82 -7.490 21.934 -8.934 677 HD23 LEU 82 HD23 LEU 82 -8.119 20.292 -9.072 678 H ASN 83 H ASN 83 -3.503 23.271 -8.554 679 HA ASN 83 HA ASN 83 -4.909 24.739 -10.597 680 HB2 ASN 83 HB2 ASN 83 -2.024 23.993 -10.219 681 HB3 ASN 83 HB3 ASN 83 -2.618 24.800 -11.667 682 HD21 ASN 83 HD21 ASN 83 -2.205 25.047 -8.232 683 HD22 ASN 83 HD22 ASN 83 -2.356 26.768 -8.170 684 H ILE 84 H ILE 84 -4.206 24.094 -12.923 685 HA ILE 84 HA ILE 84 -5.295 21.622 -13.612 686 HB ILE 84 HB ILE 84 -3.471 23.453 -15.191 687 HG12 ILE 84 HG12 ILE 84 -5.596 23.789 -16.533 688 HG13 ILE 84 HG13 ILE 84 -6.439 22.868 -15.297 689 HG21 ILE 84 HG21 ILE 84 -3.997 22.156 -17.200 690 HG22 ILE 84 HG22 ILE 84 -4.832 20.962 -16.206 691 HG23 ILE 84 HG23 ILE 84 -3.095 21.204 -16.022 692 HD11 ILE 84 HD11 ILE 84 -5.856 24.553 -13.638 693 HD12 ILE 84 HD12 ILE 84 -6.725 25.265 -14.997 694 HD13 ILE 84 HD13 ILE 84 -4.977 25.466 -14.865 695 H LEU 85 H LEU 85 -2.007 22.472 -12.775 696 HA LEU 85 HA LEU 85 -0.810 20.058 -13.789 697 HB2 LEU 85 HB2 LEU 85 0.483 22.123 -13.644 698 HB3 LEU 85 HB3 LEU 85 0.183 22.216 -11.919 699 HG LEU 85 HG LEU 85 1.524 20.185 -11.573 700 HD11 LEU 85 HD11 LEU 85 2.007 20.348 -14.541 701 HD12 LEU 85 HD12 LEU 85 1.162 19.063 -13.677 702 HD13 LEU 85 HD13 LEU 85 2.889 19.307 -13.425 703 HD21 LEU 85 HD21 LEU 85 2.601 22.361 -11.417 704 HD22 LEU 85 HD22 LEU 85 2.929 22.340 -13.148 705 HD23 LEU 85 HD23 LEU 85 3.709 21.166 -12.089 706 H GLU 86 H GLU 86 -1.701 21.407 -10.649 707 HA GLU 86 HA GLU 86 -0.894 19.233 -9.090 708 HB2 GLU 86 HB2 GLU 86 -3.012 21.318 -8.623 709 HB3 GLU 86 HB3 GLU 86 -2.493 20.163 -7.400 710 HG2 GLU 86 HG2 GLU 86 -0.269 21.076 -7.428 711 HG3 GLU 86 HG3 GLU 86 -0.693 22.149 -8.763 712 H ARG 87 H ARG 87 -4.021 19.980 -10.652 713 HA ARG 87 HA ARG 87 -5.512 17.859 -9.706 714 HB2 ARG 87 HB2 ARG 87 -6.489 19.592 -11.132 715 HB3 ARG 87 HB3 ARG 87 -5.518 19.047 -12.491 716 HG2 ARG 87 HG2 ARG 87 -6.689 16.868 -12.402 717 HG3 ARG 87 HG3 ARG 87 -7.720 17.512 -11.124 718 HD2 ARG 87 HD2 ARG 87 -8.569 19.212 -12.629 719 HD3 ARG 87 HD3 ARG 87 -7.467 18.674 -13.898 720 HE ARG 87 HE ARG 87 -9.143 16.564 -12.962 721 HH11 ARG 87 HH11 ARG 87 -9.090 19.350 -15.110 722 HH12 ARG 87 HH12 ARG 87 -10.309 18.715 -16.156 723 HH21 ARG 87 HH21 ARG 87 -10.756 15.733 -14.363 724 HH22 ARG 87 HH22 ARG 87 -11.253 16.662 -15.738 725 H PHE 88 H PHE 88 -3.397 17.978 -12.542 726 HA PHE 88 HA PHE 88 -3.723 15.316 -13.331 727 HB2 PHE 88 HB2 PHE 88 -2.772 16.909 -14.858 728 HB3 PHE 88 HB3 PHE 88 -1.441 17.249 -13.758 729 HD1 PHE 88 HD1 PHE 88 -2.973 14.324 -15.510 730 HD2 PHE 88 HD2 PHE 88 0.575 16.300 -14.239 731 HE1 PHE 88 HE1 PHE 88 -1.620 12.591 -16.615 732 HE2 PHE 88 HE2 PHE 88 1.936 14.569 -15.343 733 HZ PHE 88 HZ PHE 88 0.836 12.713 -16.531 734 H ASN 89 H ASN 89 -1.333 16.809 -11.178 735 HA ASN 89 HA ASN 89 0.189 14.492 -10.708 736 HB2 ASN 89 HB2 ASN 89 -0.214 17.012 -9.119 737 HB3 ASN 89 HB3 ASN 89 0.774 15.695 -8.491 738 HD21 ASN 89 HD21 ASN 89 1.505 18.430 -9.310 739 HD22 ASN 89 HD22 ASN 89 2.731 18.227 -10.506 740 H TYR 90 H TYR 90 -2.447 15.879 -8.739 741 HA TYR 90 HA TYR 90 -2.722 13.920 -6.828 742 HB2 TYR 90 HB2 TYR 90 -4.746 15.644 -8.242 743 HB3 TYR 90 HB3 TYR 90 -5.230 14.527 -6.978 744 HD1 TYR 90 HD1 TYR 90 -2.027 16.337 -6.793 745 HD2 TYR 90 HD2 TYR 90 -6.105 16.271 -5.607 746 HE1 TYR 90 HE1 TYR 90 -1.553 18.045 -5.105 747 HE2 TYR 90 HE2 TYR 90 -5.666 17.971 -3.919 748 HH TYR 90 HH TYR 90 -2.879 19.836 -3.874 749 H GLU 91 H GLU 91 -4.401 14.134 -9.901 750 HA GLU 91 HA GLU 91 -5.792 11.735 -9.866 751 HB2 GLU 91 HB2 GLU 91 -6.165 13.532 -11.494 752 HB3 GLU 91 HB3 GLU 91 -4.623 13.170 -12.254 753 HG2 GLU 91 HG2 GLU 91 -5.439 10.965 -12.885 754 HG3 GLU 91 HG3 GLU 91 -6.980 11.302 -12.098 755 H GLU 92 H GLU 92 -2.567 12.379 -11.256 756 HA GLU 92 HA GLU 92 -2.152 9.790 -12.233 757 HB2 GLU 92 HB2 GLU 92 -0.889 11.865 -12.880 758 HB3 GLU 92 HB3 GLU 92 -0.005 11.719 -11.367 759 HG2 GLU 92 HG2 GLU 92 1.345 10.770 -13.070 760 HG3 GLU 92 HG3 GLU 92 0.708 9.439 -12.102 761 H ALA 93 H ALA 93 -1.333 11.248 -9.064 762 HA ALA 93 HA ALA 93 0.347 9.160 -8.198 763 HB1 ALA 93 HB1 ALA 93 0.344 11.392 -7.178 764 HB2 ALA 93 HB2 ALA 93 0.048 10.136 -5.975 765 HB3 ALA 93 HB3 ALA 93 -1.290 11.115 -6.575 766 H GLN 94 H GLN 94 -3.085 9.853 -7.698 767 HA GLN 94 HA GLN 94 -3.570 7.539 -6.138 768 HB2 GLN 94 HB2 GLN 94 -5.009 9.531 -6.056 769 HB3 GLN 94 HB3 GLN 94 -5.502 9.244 -7.717 770 HG2 GLN 94 HG2 GLN 94 -6.686 7.282 -7.119 771 HG3 GLN 94 HG3 GLN 94 -5.985 7.274 -5.501 772 HE21 GLN 94 HE21 GLN 94 -6.810 8.625 -3.935 773 HE22 GLN 94 HE22 GLN 94 -8.285 9.501 -4.146 774 H THR 95 H THR 95 -3.683 8.250 -9.559 775 HA THR 95 HA THR 95 -4.905 5.907 -10.497 776 HB THR 95 HB THR 95 -2.742 7.592 -11.789 777 HG1 THR 95 HG1 THR 95 -4.659 8.720 -11.510 778 HG21 THR 95 HG21 THR 95 -2.777 5.340 -12.772 779 HG22 THR 95 HG22 THR 95 -3.388 6.542 -13.907 780 HG23 THR 95 HG23 THR 95 -4.514 5.484 -13.051 781 H LEU 96 H LEU 96 -1.478 6.607 -9.825 782 HA LEU 96 HA LEU 96 -0.532 4.041 -10.549 783 HB2 LEU 96 HB2 LEU 96 0.660 6.023 -8.604 784 HB3 LEU 96 HB3 LEU 96 1.490 4.635 -9.276 785 HG LEU 96 HG LEU 96 0.511 7.019 -10.850 786 HD11 LEU 96 HD11 LEU 96 2.881 7.533 -11.122 787 HD12 LEU 96 HD12 LEU 96 3.295 6.185 -10.061 788 HD13 LEU 96 HD13 LEU 96 2.402 7.566 -9.425 789 HD21 LEU 96 HD21 LEU 96 2.102 4.602 -11.711 790 HD22 LEU 96 HD22 LEU 96 1.782 6.024 -12.703 791 HD23 LEU 96 HD23 LEU 96 0.449 4.992 -12.189 792 H SER 97 H SER 97 -1.659 5.460 -7.534 793 HA SER 97 HA SER 97 -1.044 3.402 -5.781 794 HB2 SER 97 HB2 SER 97 -1.861 5.567 -5.003 795 HB3 SER 97 HB3 SER 97 -3.433 5.264 -5.738 796 HG SER 97 HG SER 97 -2.659 3.258 -4.054 797 H LYS 98 H LYS 98 -3.898 3.839 -7.829 798 HA LYS 98 HA LYS 98 -5.362 1.616 -6.884 799 HB2 LYS 98 HB2 LYS 98 -5.464 2.921 -9.613 800 HB3 LYS 98 HB3 LYS 98 -6.673 1.830 -8.964 801 HG2 LYS 98 HG2 LYS 98 -6.042 4.289 -7.418 802 HG3 LYS 98 HG3 LYS 98 -6.964 4.460 -8.905 803 HD2 LYS 98 HD2 LYS 98 -8.546 4.259 -7.146 804 HD3 LYS 98 HD3 LYS 98 -8.547 2.715 -7.993 805 HE2 LYS 98 HE2 LYS 98 -7.202 1.716 -6.266 806 HE3 LYS 98 HE3 LYS 98 -7.003 3.275 -5.462 807 HZ1 LYS 98 HZ1 LYS 98 -9.400 3.303 -5.064 808 HZ2 LYS 98 HZ2 LYS 98 -8.676 1.949 -4.363 809 HZ3 LYS 98 HZ3 LYS 98 -9.551 1.785 -5.798 810 H ILE 99 H ILE 99 -3.058 2.025 -9.528 811 HA ILE 99 HA ILE 99 -3.315 -0.540 -10.647 812 HB ILE 99 HB ILE 99 -0.901 1.291 -10.639 813 HG12 ILE 99 HG12 ILE 99 -3.072 0.954 -12.719 814 HG13 ILE 99 HG13 ILE 99 -2.988 2.284 -11.571 815 HG21 ILE 99 HG21 ILE 99 -0.318 -1.011 -11.216 816 HG22 ILE 99 HG22 ILE 99 -0.183 0.052 -12.621 817 HG23 ILE 99 HG23 ILE 99 -1.574 -1.022 -12.455 818 HD11 ILE 99 HD11 ILE 99 -0.962 1.658 -13.710 819 HD12 ILE 99 HD12 ILE 99 -0.863 2.987 -12.553 820 HD13 ILE 99 HD13 ILE 99 -2.160 2.953 -13.747 821 H LEU 100 H LEU 100 -1.159 0.785 -8.186 822 HA LEU 100 HA LEU 100 0.377 -1.536 -7.757 823 HB2 LEU 100 HB2 LEU 100 -0.257 0.724 -5.858 824 HB3 LEU 100 HB3 LEU 100 0.971 -0.498 -5.586 825 HG LEU 100 HG LEU 100 0.981 1.526 -7.828 826 HD11 LEU 100 HD11 LEU 100 1.380 2.551 -5.662 827 HD12 LEU 100 HD12 LEU 100 2.858 2.521 -6.623 828 HD13 LEU 100 HD13 LEU 100 2.634 1.361 -5.313 829 HD21 LEU 100 HD21 LEU 100 3.279 0.718 -8.213 830 HD22 LEU 100 HD22 LEU 100 2.068 -0.529 -8.506 831 HD23 LEU 100 HD23 LEU 100 3.015 -0.552 -7.018 832 H LEU 101 H LEU 101 -2.584 -0.345 -6.270 833 HA LEU 101 HA LEU 101 -2.820 -2.332 -4.292 834 HB2 LEU 101 HB2 LEU 101 -4.943 -0.680 -5.655 835 HB3 LEU 101 HB3 LEU 101 -5.229 -1.695 -4.258 836 HG LEU 101 HG LEU 101 -3.437 0.744 -4.328 837 HD11 LEU 101 HD11 LEU 101 -5.108 1.738 -2.887 838 HD12 LEU 101 HD12 LEU 101 -6.106 0.294 -3.032 839 HD13 LEU 101 HD13 LEU 101 -5.791 1.294 -4.450 840 HD21 LEU 101 HD21 LEU 101 -4.176 -1.099 -2.053 841 HD22 LEU 101 HD22 LEU 101 -3.303 0.424 -1.891 842 HD23 LEU 101 HD23 LEU 101 -2.575 -0.917 -2.772 843 H LYS 102 H LYS 102 -4.158 -2.141 -7.622 844 HA LYS 102 HA LYS 102 -5.586 -4.539 -7.475 845 HB2 LYS 102 HB2 LYS 102 -5.824 -2.802 -9.269 846 HB3 LYS 102 HB3 LYS 102 -4.300 -3.366 -9.943 847 HG2 LYS 102 HG2 LYS 102 -5.307 -5.612 -10.228 848 HG3 LYS 102 HG3 LYS 102 -6.844 -4.956 -9.668 849 HD2 LYS 102 HD2 LYS 102 -6.893 -4.982 -12.056 850 HD3 LYS 102 HD3 LYS 102 -6.722 -3.303 -11.547 851 HE2 LYS 102 HE2 LYS 102 -4.365 -3.338 -12.036 852 HE3 LYS 102 HE3 LYS 102 -4.418 -5.066 -12.376 853 HZ1 LYS 102 HZ1 LYS 102 -4.410 -3.810 -14.414 854 HZ2 LYS 102 HZ2 LYS 102 -5.768 -2.931 -13.932 855 HZ3 LYS 102 HZ3 LYS 102 -5.900 -4.589 -14.237 856 H ASP 103 H ASP 103 -2.195 -3.897 -8.481 857 HA ASP 103 HA ASP 103 -1.663 -6.563 -9.244 858 HB2 ASP 103 HB2 ASP 103 -0.245 -4.442 -9.684 859 HB3 ASP 103 HB3 ASP 103 0.410 -4.717 -8.071 860 H LEU 104 H LEU 104 -1.607 -4.886 -6.084 861 HA LEU 104 HA LEU 104 -0.276 -6.882 -4.659 862 HB2 LEU 104 HB2 LEU 104 -0.802 -4.451 -4.038 863 HB3 LEU 104 HB3 LEU 104 -2.411 -5.015 -3.648 864 HG LEU 104 HG LEU 104 -1.373 -6.572 -1.978 865 HD11 LEU 104 HD11 LEU 104 0.916 -6.012 -1.240 866 HD12 LEU 104 HD12 LEU 104 1.081 -4.962 -2.647 867 HD13 LEU 104 HD13 LEU 104 0.858 -6.699 -2.862 868 HD21 LEU 104 HD21 LEU 104 -0.886 -3.620 -1.619 869 HD22 LEU 104 HD22 LEU 104 -0.978 -4.812 -0.325 870 HD23 LEU 104 HD23 LEU 104 -2.400 -4.471 -1.312 871 H LYS 105 H LYS 105 -3.707 -6.161 -5.252 872 HA LYS 105 HA LYS 105 -4.866 -8.271 -3.865 873 HB2 LYS 105 HB2 LYS 105 -5.823 -7.014 -6.444 874 HB3 LYS 105 HB3 LYS 105 -6.803 -8.005 -5.378 875 HG2 LYS 105 HG2 LYS 105 -5.601 -5.323 -4.712 876 HG3 LYS 105 HG3 LYS 105 -7.296 -5.655 -5.062 877 HD2 LYS 105 HD2 LYS 105 -5.749 -6.824 -2.745 878 HD3 LYS 105 HD3 LYS 105 -6.819 -5.429 -2.639 879 HE2 LYS 105 HE2 LYS 105 -8.714 -6.787 -3.295 880 HE3 LYS 105 HE3 LYS 105 -7.663 -8.181 -3.540 881 HZ1 LYS 105 HZ1 LYS 105 -8.818 -8.261 -1.408 882 HZ2 LYS 105 HZ2 LYS 105 -8.081 -6.813 -0.944 883 HZ3 LYS 105 HZ3 LYS 105 -7.138 -8.193 -1.212 884 H GLU 106 H GLU 106 -3.554 -8.198 -7.154 885 HA GLU 106 HA GLU 106 -4.363 -10.773 -7.938 886 HB2 GLU 106 HB2 GLU 106 -3.408 -9.076 -9.481 887 HB3 GLU 106 HB3 GLU 106 -1.844 -9.271 -8.705 888 HG2 GLU 106 HG2 GLU 106 -1.744 -10.508 -10.705 889 HG3 GLU 106 HG3 GLU 106 -1.918 -11.691 -9.413 890 H THR 107 H THR 107 -1.611 -9.598 -6.088 891 HA THR 107 HA THR 107 -0.083 -11.940 -6.025 892 HB THR 107 HB THR 107 -0.250 -9.786 -3.904 893 HG1 THR 107 HG1 THR 107 0.169 -9.082 -6.177 894 HG21 THR 107 HG21 THR 107 2.009 -11.640 -4.686 895 HG22 THR 107 HG22 THR 107 1.021 -11.789 -3.234 896 HG23 THR 107 HG23 THR 107 2.078 -10.392 -3.443 897 H GLU 108 H GLU 108 -2.259 -10.618 -3.498 898 HA GLU 108 HA GLU 108 -2.150 -12.781 -1.763 899 HB2 GLU 108 HB2 GLU 108 -4.202 -11.987 -0.744 900 HB3 GLU 108 HB3 GLU 108 -3.169 -10.631 -1.154 901 HG2 GLU 108 HG2 GLU 108 -4.535 -10.071 -3.019 902 HG3 GLU 108 HG3 GLU 108 -5.481 -11.545 -2.830 903 H GLN 109 H GLN 109 -4.309 -12.322 -4.519 904 HA GLN 109 HA GLN 109 -5.901 -14.590 -4.104 905 HB2 GLN 109 HB2 GLN 109 -5.197 -13.132 -6.646 906 HB3 GLN 109 HB3 GLN 109 -6.417 -14.396 -6.542 907 HG2 GLN 109 HG2 GLN 109 -7.727 -13.083 -5.016 908 HG3 GLN 109 HG3 GLN 109 -6.469 -11.855 -4.934 909 HE21 GLN 109 HE21 GLN 109 -9.258 -11.645 -5.711 910 HE22 GLN 109 HE22 GLN 109 -9.263 -10.976 -7.300 911 H LYS 110 H LYS 110 -2.873 -14.190 -5.886 912 HA LYS 110 HA LYS 110 -2.723 -16.815 -6.921 913 HB2 LYS 110 HB2 LYS 110 -0.520 -14.865 -6.236 914 HB3 LYS 110 HB3 LYS 110 -0.288 -16.342 -7.160 915 HG2 LYS 110 HG2 LYS 110 -1.648 -15.519 -8.941 916 HG3 LYS 110 HG3 LYS 110 -2.146 -14.123 -7.988 917 HD2 LYS 110 HD2 LYS 110 -0.470 -13.436 -9.576 918 HD3 LYS 110 HD3 LYS 110 0.214 -13.362 -7.954 919 HE2 LYS 110 HE2 LYS 110 1.828 -14.322 -9.458 920 HE3 LYS 110 HE3 LYS 110 1.267 -15.566 -8.345 921 HZ1 LYS 110 HZ1 LYS 110 0.375 -15.192 -11.150 922 HZ2 LYS 110 HZ2 LYS 110 -0.240 -16.350 -10.093 923 HZ3 LYS 110 HZ3 LYS 110 1.371 -16.430 -10.578 924 H VAL 111 H VAL 111 -1.562 -15.375 -3.932 925 HA VAL 111 HA VAL 111 -0.192 -17.586 -2.876 926 HB VAL 111 HB VAL 111 -1.712 -15.399 -1.416 927 HG11 VAL 111 HG11 VAL 111 -1.350 -17.315 0.038 928 HG12 VAL 111 HG12 VAL 111 -0.331 -15.961 0.526 929 HG13 VAL 111 HG13 VAL 111 0.366 -17.314 -0.366 930 HG21 VAL 111 HG21 VAL 111 1.215 -15.648 -2.112 931 HG22 VAL 111 HG22 VAL 111 0.496 -14.360 -1.144 932 HG23 VAL 111 HG23 VAL 111 0.060 -14.535 -2.845 933 H LYS 112 H LYS 112 -3.564 -16.592 -2.670 934 HA LYS 112 HA LYS 112 -4.475 -18.724 -1.056 935 HB2 LYS 112 HB2 LYS 112 -5.954 -17.005 -3.053 936 HB3 LYS 112 HB3 LYS 112 -6.725 -18.072 -1.888 937 HG2 LYS 112 HG2 LYS 112 -6.014 -16.747 -0.066 938 HG3 LYS 112 HG3 LYS 112 -4.899 -15.828 -1.079 939 HD2 LYS 112 HD2 LYS 112 -6.832 -14.939 -2.333 940 HD3 LYS 112 HD3 LYS 112 -7.912 -15.798 -1.234 941 HE2 LYS 112 HE2 LYS 112 -5.900 -13.711 -0.394 942 HE3 LYS 112 HE3 LYS 112 -7.610 -13.391 -0.677 943 HZ1 LYS 112 HZ1 LYS 112 -7.138 -13.718 1.667 944 HZ2 LYS 112 HZ2 LYS 112 -6.522 -15.258 1.360 945 HZ3 LYS 112 HZ3 LYS 112 -8.157 -14.934 1.090 946 H ASP 113 H ASP 113 -3.711 -18.466 -4.417 947 HA ASP 113 HA ASP 113 -5.228 -20.759 -5.232 948 HB2 ASP 113 HB2 ASP 113 -3.147 -19.093 -6.623 949 HB3 ASP 113 HB3 ASP 113 -3.785 -20.566 -7.341 950 H ILE 114 H ILE 114 -2.125 -20.315 -3.712 951 HA ILE 114 HA ILE 114 -0.954 -22.695 -4.793 952 HB ILE 114 HB ILE 114 -0.124 -20.366 -3.282 953 HG12 ILE 114 HG12 ILE 114 2.095 -20.991 -4.134 954 HG13 ILE 114 HG13 ILE 114 1.448 -22.538 -4.659 955 HG21 ILE 114 HG21 ILE 114 -0.103 -21.756 -1.317 956 HG22 ILE 114 HG22 ILE 114 1.557 -21.420 -1.817 957 HG23 ILE 114 HG23 ILE 114 0.830 -22.991 -2.156 958 HD11 ILE 114 HD11 ILE 114 -0.048 -21.393 -6.213 959 HD12 ILE 114 HD12 ILE 114 1.639 -20.973 -6.512 960 HD13 ILE 114 HD13 ILE 114 0.583 -19.838 -5.669 961 H GLN 115 H GLN 115 -0.580 -24.599 -3.605 962 HA GLN 115 HA GLN 115 -2.524 -25.090 -1.510 963 HB2 GLN 115 HB2 GLN 115 -2.025 -27.435 -1.832 964 HB3 GLN 115 HB3 GLN 115 -2.314 -26.674 -3.386 965 HG2 GLN 115 HG2 GLN 115 0.091 -26.593 -3.801 966 HG3 GLN 115 HG3 GLN 115 0.387 -27.338 -2.231 967 HE21 GLN 115 HE21 GLN 115 1.421 -29.106 -3.183 968 HE22 GLN 115 HE22 GLN 115 0.538 -30.323 -4.034 969 H THR 116 H THR 116 -1.586 -26.686 0.278 970 HA THR 116 HA THR 116 0.920 -25.840 1.310 971 HB THR 116 HB THR 116 -0.145 -24.822 3.446 972 HG1 THR 116 HG1 THR 116 -2.205 -24.483 1.514 973 HG21 THR 116 HG21 THR 116 -0.041 -23.260 0.860 974 HG22 THR 116 HG22 THR 116 1.315 -23.573 1.941 975 HG23 THR 116 HG23 THR 116 -0.024 -22.554 2.478 976 H GLN 117 H GLN 117 1.476 -26.905 3.335 977 HA GLN 117 HA GLN 117 -0.202 -29.229 3.810 978 HB2 GLN 117 HB2 GLN 117 2.614 -28.581 4.659 979 HB3 GLN 117 HB3 GLN 117 1.769 -30.047 5.121 980 HG2 GLN 117 HG2 GLN 117 2.391 -29.227 2.289 981 HG3 GLN 117 HG3 GLN 117 3.307 -30.396 3.241 982 HE21 GLN 117 HE21 GLN 117 0.369 -29.794 1.495 983 HE22 GLN 117 HE22 GLN 117 -0.195 -31.424 1.480 Start of MODEL 16 1 H GLN 1 H1 GLN 1 11.669 27.446 27.831 2 HA GLN 1 HA GLN 1 10.175 28.778 26.565 3 HB2 GLN 1 HB2 GLN 1 11.535 29.810 28.395 4 HB3 GLN 1 HB3 GLN 1 12.695 30.333 27.186 5 HG2 GLN 1 HG2 GLN 1 11.061 31.765 26.166 6 HG3 GLN 1 HG3 GLN 1 9.803 31.155 27.240 7 HE21 GLN 1 HE21 GLN 1 12.613 33.167 26.972 8 HE22 GLN 1 HE22 GLN 1 12.416 33.988 28.475 9 H GLU 2 H GLU 2 9.977 28.143 24.415 10 HA GLU 2 HA GLU 2 11.083 29.828 22.429 11 HB2 GLU 2 HB2 GLU 2 12.521 28.274 21.250 12 HB3 GLU 2 HB3 GLU 2 13.092 28.420 22.901 13 HG2 GLU 2 HG2 GLU 2 11.440 26.130 21.821 14 HG3 GLU 2 HG3 GLU 2 13.185 26.110 22.051 15 H HIS 3 H HIS 3 10.819 28.393 20.171 16 HA HIS 3 HA HIS 3 8.171 27.089 20.340 17 HB2 HIS 3 HB2 HIS 3 9.255 28.625 17.958 18 HB3 HIS 3 HB3 HIS 3 7.671 27.877 18.083 19 HD1 HIS 3 HD1 HIS 3 9.300 31.045 18.408 20 HD2 HIS 3 HD2 HIS 3 6.091 29.176 20.268 21 HE1 HIS 3 HE1 HIS 3 7.995 32.882 19.512 22 HE2 HIS 3 HE2 HIS 3 6.198 31.697 20.808 23 H LYS 4 H LYS 4 8.368 26.385 17.445 24 HA LYS 4 HA LYS 4 9.587 23.878 17.750 25 HB2 LYS 4 HB2 LYS 4 9.243 23.723 15.253 26 HB3 LYS 4 HB3 LYS 4 7.797 24.039 16.202 27 HG2 LYS 4 HG2 LYS 4 7.981 26.432 15.609 28 HG3 LYS 4 HG3 LYS 4 9.375 26.044 14.596 29 HD2 LYS 4 HD2 LYS 4 8.017 24.624 13.193 30 HD3 LYS 4 HD3 LYS 4 6.627 24.842 14.258 31 HE2 LYS 4 HE2 LYS 4 6.634 27.242 13.737 32 HE3 LYS 4 HE3 LYS 4 7.989 26.992 12.639 33 HZ1 LYS 4 HZ1 LYS 4 5.816 27.084 11.514 34 HZ2 LYS 4 HZ2 LYS 4 5.328 25.701 12.344 35 HZ3 LYS 4 HZ3 LYS 4 6.617 25.625 11.251 36 HA PRO 5 HA PRO 5 13.826 24.460 16.921 37 HB2 PRO 5 HB2 PRO 5 14.375 22.356 15.232 38 HB3 PRO 5 HB3 PRO 5 14.202 22.209 16.984 39 HG2 PRO 5 HG2 PRO 5 12.189 21.681 14.831 40 HG3 PRO 5 HG3 PRO 5 12.545 20.733 16.287 41 HD2 PRO 5 HD2 PRO 5 10.424 22.343 16.180 42 HD3 PRO 5 HD3 PRO 5 11.377 22.185 17.669 43 H LYS 6 H LYS 6 15.432 24.124 14.905 44 HA LYS 6 HA LYS 6 14.402 25.957 12.860 45 HB2 LYS 6 HB2 LYS 6 16.357 26.749 14.126 46 HB3 LYS 6 HB3 LYS 6 17.252 25.314 13.654 47 HG2 LYS 6 HG2 LYS 6 17.094 26.022 11.297 48 HG3 LYS 6 HG3 LYS 6 16.269 27.492 11.817 49 HD2 LYS 6 HD2 LYS 6 19.048 26.664 12.668 50 HD3 LYS 6 HD3 LYS 6 18.685 27.851 11.414 51 HE2 LYS 6 HE2 LYS 6 17.568 29.260 13.053 52 HE3 LYS 6 HE3 LYS 6 17.855 28.060 14.309 53 HZ1 LYS 6 HZ1 LYS 6 19.959 29.551 12.831 54 HZ2 LYS 6 HZ2 LYS 6 20.228 28.405 14.042 55 HZ3 LYS 6 HZ3 LYS 6 19.453 29.856 14.413 56 H LYS 7 H LYS 7 13.441 24.502 11.501 57 HA LYS 7 HA LYS 7 15.244 22.537 10.261 58 HB2 LYS 7 HB2 LYS 7 13.472 21.029 9.931 59 HB3 LYS 7 HB3 LYS 7 13.245 21.615 11.571 60 HG2 LYS 7 HG2 LYS 7 11.801 22.800 9.224 61 HG3 LYS 7 HG3 LYS 7 11.171 21.405 10.113 62 HD2 LYS 7 HD2 LYS 7 11.199 22.769 12.178 63 HD3 LYS 7 HD3 LYS 7 11.771 24.147 11.235 64 HE2 LYS 7 HE2 LYS 7 9.153 22.697 10.862 65 HE3 LYS 7 HE3 LYS 7 9.364 24.283 11.599 66 HZ1 LYS 7 HZ1 LYS 7 10.264 25.061 9.455 67 HZ2 LYS 7 HZ2 LYS 7 8.661 24.549 9.346 68 HZ3 LYS 7 HZ3 LYS 7 9.899 23.554 8.768 69 H ASP 8 H ASP 8 15.117 22.283 8.033 70 HA ASP 8 HA ASP 8 13.379 23.579 6.300 71 HB2 ASP 8 HB2 ASP 8 14.257 25.665 7.078 72 HB3 ASP 8 HB3 ASP 8 15.917 25.117 6.870 73 H ASP 9 H ASP 9 13.933 23.234 4.112 74 HA ASP 9 HA ASP 9 15.888 21.073 3.819 75 HB2 ASP 9 HB2 ASP 9 13.373 20.907 3.162 76 HB3 ASP 9 HB3 ASP 9 13.843 21.853 1.757 77 H PHE 10 H PHE 10 16.691 23.843 3.973 78 HA PHE 10 HA PHE 10 18.286 25.157 3.086 79 HB2 PHE 10 HB2 PHE 10 18.429 23.002 0.980 80 HB3 PHE 10 HB3 PHE 10 19.458 24.429 0.951 81 HD1 PHE 10 HD1 PHE 10 18.495 21.556 3.076 82 HD2 PHE 10 HD2 PHE 10 21.445 24.468 2.159 83 HE1 PHE 10 HE1 PHE 10 20.068 20.430 4.600 84 HE2 PHE 10 HE2 PHE 10 23.022 23.358 3.680 85 HZ PHE 10 HZ PHE 10 22.335 21.336 4.904 86 H ARG 11 H ARG 11 15.521 25.437 2.574 87 HA ARG 11 HA ARG 11 14.231 27.137 1.694 88 HB2 ARG 11 HB2 ARG 11 16.798 27.771 0.306 89 HB3 ARG 11 HB3 ARG 11 15.316 28.465 -0.326 90 HG2 ARG 11 HG2 ARG 11 16.451 29.994 1.184 91 HG3 ARG 11 HG3 ARG 11 14.875 29.522 1.816 92 HD2 ARG 11 HD2 ARG 11 15.960 27.910 3.304 93 HD3 ARG 11 HD3 ARG 11 17.536 28.376 2.659 94 HE ARG 11 HE ARG 11 16.774 30.708 3.488 95 HH11 ARG 11 HH11 ARG 11 16.256 27.628 5.115 96 HH12 ARG 11 HH12 ARG 11 16.193 28.349 6.690 97 HH21 ARG 11 HH21 ARG 11 16.695 31.641 5.568 98 HH22 ARG 11 HH22 ARG 11 16.439 30.635 6.950 99 H ASN 12 H ASN 12 14.733 24.356 0.599 100 HA ASN 12 HA ASN 12 14.165 24.320 -2.142 101 HB2 ASN 12 HB2 ASN 12 14.938 22.354 -0.834 102 HB3 ASN 12 HB3 ASN 12 13.365 22.292 -0.050 103 HD21 ASN 12 HD21 ASN 12 13.026 20.218 -0.798 104 HD22 ASN 12 HD22 ASN 12 12.621 19.879 -2.445 105 H GLU 13 H GLU 13 12.233 24.005 -3.256 106 HA GLU 13 HA GLU 13 10.135 25.680 -2.670 107 HB2 GLU 13 HB2 GLU 13 10.631 24.775 -4.896 108 HB3 GLU 13 HB3 GLU 13 10.077 23.193 -4.377 109 HG2 GLU 13 HG2 GLU 13 7.829 24.043 -4.098 110 HG3 GLU 13 HG3 GLU 13 8.370 25.667 -4.528 111 H PHE 14 H PHE 14 9.966 22.066 -2.406 112 HA PHE 14 HA PHE 14 7.927 22.528 -0.354 113 HB2 PHE 14 HB2 PHE 14 7.984 20.370 -2.465 114 HB3 PHE 14 HB3 PHE 14 6.897 20.362 -1.083 115 HD1 PHE 14 HD2 PHE 14 5.653 22.771 -0.811 116 HD2 PHE 14 HD1 PHE 14 7.068 21.047 -4.433 117 HE1 PHE 14 HE2 PHE 14 4.041 24.124 -2.077 118 HE2 PHE 14 HE1 PHE 14 5.454 22.400 -5.708 119 HZ PHE 14 HZ PHE 14 3.938 23.938 -4.528 120 H ASP 15 H ASP 15 8.705 21.990 1.537 121 HA ASP 15 HA ASP 15 10.827 20.129 1.932 122 HB2 ASP 15 HB2 ASP 15 10.515 21.898 3.549 123 HB3 ASP 15 HB3 ASP 15 8.850 21.413 3.838 124 H HIS 16 H HIS 16 7.408 20.054 2.851 125 HA HIS 16 HA HIS 16 7.162 17.281 2.056 126 HB2 HIS 16 HB2 HIS 16 6.846 18.193 4.922 127 HB3 HIS 16 HB3 HIS 16 5.999 16.777 4.313 128 HD1 HIS 16 HD1 HIS 16 9.352 17.991 5.377 129 HD2 HIS 16 HD2 HIS 16 7.668 14.560 3.732 130 HE1 HIS 16 HE1 HIS 16 11.101 16.193 5.602 131 HE2 HIS 16 HE2 HIS 16 10.122 14.191 4.426 132 H LEU 17 H LEU 17 5.588 17.589 0.651 133 HA LEU 17 HA LEU 17 3.235 19.142 1.468 134 HB2 LEU 17 HB2 LEU 17 4.486 19.966 -0.528 135 HB3 LEU 17 HB3 LEU 17 4.197 18.432 -1.313 136 HG LEU 17 HG LEU 17 1.746 18.908 -1.226 137 HD11 LEU 17 HD11 LEU 17 1.714 20.461 0.633 138 HD12 LEU 17 HD12 LEU 17 1.025 21.209 -0.808 139 HD13 LEU 17 HD13 LEU 17 2.661 21.624 -0.296 140 HD21 LEU 17 HD21 LEU 17 1.779 20.548 -3.045 141 HD22 LEU 17 HD22 LEU 17 3.034 19.328 -3.246 142 HD23 LEU 17 HD23 LEU 17 3.456 20.937 -2.660 143 H LEU 18 H LEU 18 1.184 18.265 0.322 144 HA LEU 18 HA LEU 18 0.576 15.722 1.240 145 HB2 LEU 18 HB2 LEU 18 -0.748 17.189 -1.041 146 HB3 LEU 18 HB3 LEU 18 -1.451 15.877 -0.119 147 HG LEU 18 HG LEU 18 -0.761 18.613 0.953 148 HD11 LEU 18 HD11 LEU 18 -3.163 18.907 1.138 149 HD12 LEU 18 HD12 LEU 18 -3.426 17.321 0.418 150 HD13 LEU 18 HD13 LEU 18 -2.693 18.609 -0.535 151 HD21 LEU 18 HD21 LEU 18 -2.076 16.254 2.292 152 HD22 LEU 18 HD22 LEU 18 -1.913 17.871 2.981 153 HD23 LEU 18 HD23 LEU 18 -0.476 16.903 2.653 154 H ILE 19 H ILE 19 1.413 16.718 -2.072 155 HA ILE 19 HA ILE 19 1.225 14.155 -3.203 156 HB ILE 19 HB ILE 19 2.692 16.637 -4.087 157 HG12 ILE 19 HG12 ILE 19 0.252 16.667 -4.194 158 HG13 ILE 19 HG13 ILE 19 0.950 16.672 -5.811 159 HG21 ILE 19 HG21 ILE 19 3.121 15.549 -6.240 160 HG22 ILE 19 HG22 ILE 19 2.491 14.033 -5.601 161 HG23 ILE 19 HG23 ILE 19 3.970 14.726 -4.932 162 HD11 ILE 19 HD11 ILE 19 -0.963 15.200 -5.732 163 HD12 ILE 19 HD12 ILE 19 -0.261 14.303 -4.394 164 HD13 ILE 19 HD13 ILE 19 0.502 14.255 -5.982 165 H GLU 20 H GLU 20 3.905 15.879 -1.701 166 HA GLU 20 HA GLU 20 5.967 14.090 -2.320 167 HB2 GLU 20 HB2 GLU 20 5.611 15.861 0.101 168 HB3 GLU 20 HB3 GLU 20 7.106 15.041 -0.317 169 HG2 GLU 20 HG2 GLU 20 5.725 17.061 -2.065 170 HG3 GLU 20 HG3 GLU 20 7.054 17.427 -0.965 171 H GLN 21 H GLN 21 3.529 14.057 0.207 172 HA GLN 21 HA GLN 21 4.669 11.897 1.668 173 HB2 GLN 21 HB2 GLN 21 3.051 13.518 2.641 174 HB3 GLN 21 HB3 GLN 21 1.793 12.824 1.629 175 HG2 GLN 21 HG2 GLN 21 1.981 10.710 2.757 176 HG3 GLN 21 HG3 GLN 21 3.356 11.292 3.692 177 HE21 GLN 21 HE21 GLN 21 3.011 12.777 5.342 178 HE22 GLN 21 HE22 GLN 21 1.446 13.028 6.033 179 H ALA 22 H ALA 22 1.905 12.097 -0.597 180 HA ALA 22 HA ALA 22 1.330 9.395 -0.777 181 HB1 ALA 22 HB1 ALA 22 0.271 9.921 -2.913 182 HB2 ALA 22 HB2 ALA 22 1.110 11.470 -2.956 183 HB3 ALA 22 HB3 ALA 22 -0.094 11.155 -1.707 184 H ASN 23 H ASN 23 3.603 11.321 -2.620 185 HA ASN 23 HA ASN 23 4.464 9.374 -4.462 186 HB2 ASN 23 HB2 ASN 23 4.934 11.888 -4.503 187 HB3 ASN 23 HB3 ASN 23 6.200 11.582 -3.324 188 HD21 ASN 23 HD21 ASN 23 6.340 12.651 -6.050 189 HD22 ASN 23 HD22 ASN 23 7.430 11.617 -6.908 190 H HIS 24 H HIS 24 5.497 10.162 -1.196 191 HA HIS 24 HA HIS 24 7.723 8.403 -1.126 192 HB2 HIS 24 HB2 HIS 24 7.252 10.348 0.448 193 HB3 HIS 24 HB3 HIS 24 6.079 9.311 1.243 194 HD1 HIS 24 HD1 HIS 24 7.051 8.482 3.354 195 HD2 HIS 24 HD2 HIS 24 9.893 8.693 0.343 196 HE1 HIS 24 HE1 HIS 24 9.193 7.701 4.393 197 HE2 HIS 24 HE2 HIS 24 10.926 8.138 2.632 198 H ALA 25 H ALA 25 4.288 8.043 -0.099 199 HA ALA 25 HA ALA 25 4.559 5.493 0.968 200 HB1 ALA 25 HB1 ALA 25 2.671 6.996 1.403 201 HB2 ALA 25 HB2 ALA 25 2.141 5.406 0.852 202 HB3 ALA 25 HB3 ALA 25 2.126 6.775 -0.260 203 H ILE 26 H ILE 26 3.554 6.512 -2.321 204 HA ILE 26 HA ILE 26 3.069 3.869 -3.209 205 HB ILE 26 HB ILE 26 3.161 4.757 -5.520 206 HG12 ILE 26 HG12 ILE 26 3.857 7.391 -4.196 207 HG13 ILE 26 HG13 ILE 26 4.957 6.426 -5.174 208 HG21 ILE 26 HG21 ILE 26 1.096 4.871 -4.253 209 HG22 ILE 26 HG22 ILE 26 1.249 6.273 -5.313 210 HG23 ILE 26 HG23 ILE 26 1.572 6.434 -3.586 211 HD11 ILE 26 HD11 ILE 26 4.051 8.297 -6.434 212 HD12 ILE 26 HD12 ILE 26 2.410 7.718 -6.135 213 HD13 ILE 26 HD13 ILE 26 3.519 6.761 -7.117 214 H GLU 27 H GLU 27 5.960 5.877 -3.253 215 HA GLU 27 HA GLU 27 7.610 4.215 -4.788 216 HB2 GLU 27 HB2 GLU 27 8.346 6.431 -4.229 217 HB3 GLU 27 HB3 GLU 27 8.197 6.116 -2.512 218 HG2 GLU 27 HG2 GLU 27 10.089 4.360 -3.897 219 HG3 GLU 27 HG3 GLU 27 10.517 6.070 -3.924 220 H LYS 28 H LYS 28 6.955 4.260 -1.302 221 HA LYS 28 HA LYS 28 8.598 2.058 -0.650 222 HB2 LYS 28 HB2 LYS 28 7.581 3.808 0.924 223 HB3 LYS 28 HB3 LYS 28 6.100 2.882 0.833 224 HG2 LYS 28 HG2 LYS 28 8.640 1.530 1.643 225 HG3 LYS 28 HG3 LYS 28 7.764 2.518 2.806 226 HD2 LYS 28 HD2 LYS 28 6.427 0.296 1.267 227 HD3 LYS 28 HD3 LYS 28 7.272 0.000 2.786 228 HE2 LYS 28 HE2 LYS 28 5.122 0.314 3.530 229 HE3 LYS 28 HE3 LYS 28 5.748 1.958 3.643 230 HZ1 LYS 28 HZ1 LYS 28 4.130 0.862 1.408 231 HZ2 LYS 28 HZ2 LYS 28 4.705 2.457 1.524 232 HZ3 LYS 28 HZ3 LYS 28 3.571 1.895 2.626 233 H GLY 29 H GLY 29 5.136 2.341 -1.544 234 HA2 GLY 29 HA2 GLY 29 4.386 -0.297 -1.119 235 HA3 GLY 29 HA3 GLY 29 3.649 0.808 -2.264 236 H GLU 30 H GLU 30 5.705 1.242 -3.980 237 HA GLU 30 HA GLU 30 5.551 -0.929 -5.745 238 HB2 GLU 30 HB2 GLU 30 6.087 1.268 -6.584 239 HB3 GLU 30 HB3 GLU 30 7.559 1.327 -5.626 240 HG2 GLU 30 HG2 GLU 30 8.457 -0.547 -6.961 241 HG3 GLU 30 HG3 GLU 30 7.006 -0.499 -7.958 242 H HIS 31 H HIS 31 8.128 0.027 -3.526 243 HA HIS 31 HA HIS 31 9.979 -1.954 -4.281 244 HB2 HIS 31 HB2 HIS 31 10.504 0.131 -3.024 245 HB3 HIS 31 HB3 HIS 31 9.736 -0.571 -1.609 246 HD1 HIS 31 HD1 HIS 31 11.204 -1.916 -0.119 247 HD2 HIS 31 HD2 HIS 31 12.871 -1.369 -3.883 248 HE1 HIS 31 HE1 HIS 31 13.522 -2.864 0.028 249 HE2 HIS 31 HE2 HIS 31 14.496 -2.578 -2.276 250 H GLN 32 H GLN 32 7.578 -1.869 -1.688 251 HA GLN 32 HA GLN 32 8.328 -4.438 -0.680 252 HB2 GLN 32 HB2 GLN 32 6.359 -4.285 0.749 253 HB3 GLN 32 HB3 GLN 32 7.298 -2.804 0.794 254 HG2 GLN 32 HG2 GLN 32 5.688 -1.817 -0.814 255 HG3 GLN 32 HG3 GLN 32 4.712 -3.277 -0.661 256 HE21 GLN 32 HE21 GLN 32 5.431 -3.550 2.175 257 HE22 GLN 32 HE22 GLN 32 4.484 -2.378 3.010 258 H LEU 33 H LEU 33 5.965 -3.345 -3.039 259 HA LEU 33 HA LEU 33 4.519 -5.766 -3.219 260 HB2 LEU 33 HB2 LEU 33 3.646 -3.677 -4.133 261 HB3 LEU 33 HB3 LEU 33 4.975 -3.581 -5.264 262 HG LEU 33 HG LEU 33 2.614 -4.330 -6.086 263 HD11 LEU 33 HD11 LEU 33 3.608 -5.722 -7.824 264 HD12 LEU 33 HD12 LEU 33 5.088 -5.848 -6.875 265 HD13 LEU 33 HD13 LEU 33 4.575 -4.282 -7.505 266 HD21 LEU 33 HD21 LEU 33 2.298 -6.103 -4.405 267 HD22 LEU 33 HD22 LEU 33 3.676 -6.977 -5.084 268 HD23 LEU 33 HD23 LEU 33 2.227 -6.728 -6.052 269 H LEU 34 H LEU 34 7.283 -4.516 -5.044 270 HA LEU 34 HA LEU 34 7.528 -6.814 -6.683 271 HB2 LEU 34 HB2 LEU 34 9.740 -5.983 -7.313 272 HB3 LEU 34 HB3 LEU 34 8.548 -4.709 -7.365 273 HG LEU 34 HG LEU 34 9.487 -4.117 -4.988 274 HD11 LEU 34 HD11 LEU 34 11.871 -4.580 -4.754 275 HD12 LEU 34 HD12 LEU 34 11.821 -5.594 -6.196 276 HD13 LEU 34 HD13 LEU 34 10.923 -6.068 -4.753 277 HD21 LEU 34 HD21 LEU 34 9.605 -2.663 -6.928 278 HD22 LEU 34 HD22 LEU 34 11.002 -3.555 -7.530 279 HD23 LEU 34 HD23 LEU 34 11.126 -2.629 -6.035 280 H TYR 35 H TYR 35 8.522 -6.090 -3.475 281 HA TYR 35 HA TYR 35 10.415 -8.211 -3.222 282 HB2 TYR 35 HB2 TYR 35 10.580 -6.451 -1.600 283 HB3 TYR 35 HB3 TYR 35 8.901 -6.676 -1.102 284 HD1 TYR 35 HD1 TYR 35 12.243 -8.287 -1.100 285 HD2 TYR 35 HD2 TYR 35 8.326 -8.283 0.554 286 HE1 TYR 35 HE1 TYR 35 12.957 -9.934 0.587 287 HE2 TYR 35 HE2 TYR 35 9.031 -9.933 2.242 288 HH TYR 35 HH TYR 35 10.717 -11.588 2.591 289 H LEU 36 H LEU 36 6.958 -7.889 -2.137 290 HA LEU 36 HA LEU 36 6.812 -10.452 -1.026 291 HB2 LEU 36 HB2 LEU 36 4.646 -8.617 -2.059 292 HB3 LEU 36 HB3 LEU 36 4.395 -10.004 -1.017 293 HG LEU 36 HG LEU 36 5.996 -7.563 -0.234 294 HD11 LEU 36 HD11 LEU 36 4.084 -6.936 1.131 295 HD12 LEU 36 HD12 LEU 36 3.169 -8.308 0.500 296 HD13 LEU 36 HD13 LEU 36 3.644 -6.994 -0.576 297 HD21 LEU 36 HD21 LEU 36 4.948 -9.877 1.395 298 HD22 LEU 36 HD22 LEU 36 5.811 -8.472 2.024 299 HD23 LEU 36 HD23 LEU 36 6.633 -9.604 0.951 300 H GLN 37 H GLN 37 6.146 -9.167 -4.248 301 HA GLN 37 HA GLN 37 4.773 -11.357 -5.296 302 HB2 GLN 37 HB2 GLN 37 5.142 -9.072 -6.352 303 HB3 GLN 37 HB3 GLN 37 6.741 -9.634 -6.809 304 HG2 GLN 37 HG2 GLN 37 5.304 -9.857 -8.679 305 HG3 GLN 37 HG3 GLN 37 5.666 -11.477 -8.081 306 HE21 GLN 37 HE21 GLN 37 3.249 -9.028 -8.466 307 HE22 GLN 37 HE22 GLN 37 1.883 -10.018 -8.102 308 H HIS 38 H HIS 38 8.234 -10.670 -5.005 309 HA HIS 38 HA HIS 38 9.121 -13.051 -6.310 310 HB2 HIS 38 HB2 HIS 38 10.532 -11.005 -6.013 311 HB3 HIS 38 HB3 HIS 38 10.632 -11.379 -4.295 312 HD1 HIS 38 HD1 HIS 38 11.887 -12.477 -7.631 313 HD2 HIS 38 HD2 HIS 38 12.278 -13.556 -3.647 314 HE1 HIS 38 HE1 HIS 38 13.789 -14.096 -7.562 315 HE2 HIS 38 HE2 HIS 38 13.931 -14.845 -5.164 316 H GLN 39 H GLN 39 8.242 -12.218 -2.971 317 HA GLN 39 HA GLN 39 9.317 -14.494 -1.722 318 HB2 GLN 39 HB2 GLN 39 8.316 -12.227 -0.790 319 HB3 GLN 39 HB3 GLN 39 6.810 -13.129 -0.805 320 HG2 GLN 39 HG2 GLN 39 7.833 -14.810 0.659 321 HG3 GLN 39 HG3 GLN 39 9.297 -13.821 0.703 322 HE21 GLN 39 HE21 GLN 39 9.126 -13.592 2.939 323 HE22 GLN 39 HE22 GLN 39 7.966 -12.519 3.649 324 H LEU 40 H LEU 40 6.158 -13.659 -3.043 325 HA LEU 40 HA LEU 40 4.738 -15.976 -2.634 326 HB2 LEU 40 HB2 LEU 40 4.489 -13.638 -4.223 327 HB3 LEU 40 HB3 LEU 40 4.144 -15.013 -5.252 328 HG LEU 40 HG LEU 40 2.094 -14.153 -4.308 329 HD11 LEU 40 HD11 LEU 40 2.270 -16.563 -4.667 330 HD12 LEU 40 HD12 LEU 40 1.227 -16.185 -3.298 331 HD13 LEU 40 HD13 LEU 40 2.868 -16.765 -3.020 332 HD21 LEU 40 HD21 LEU 40 3.108 -13.139 -2.297 333 HD22 LEU 40 HD22 LEU 40 3.275 -14.752 -1.604 334 HD23 LEU 40 HD23 LEU 40 1.675 -14.095 -1.941 335 H ASP 41 H ASP 41 7.018 -15.235 -5.238 336 HA ASP 41 HA ASP 41 6.622 -17.550 -6.775 337 HB2 ASP 41 HB2 ASP 41 7.932 -15.551 -7.506 338 HB3 ASP 41 HB3 ASP 41 9.220 -16.034 -6.408 339 H GLU 42 H GLU 42 8.639 -16.897 -4.001 340 HA GLU 42 HA GLU 42 9.987 -19.419 -3.909 341 HB2 GLU 42 HB2 GLU 42 10.868 -17.459 -2.738 342 HB3 GLU 42 HB3 GLU 42 9.429 -17.387 -1.733 343 HG2 GLU 42 HG2 GLU 42 11.320 -18.324 -0.532 344 HG3 GLU 42 HG3 GLU 42 10.015 -19.497 -0.705 345 H LEU 43 H LEU 43 7.212 -18.076 -2.332 346 HA LEU 43 HA LEU 43 6.363 -20.241 -0.768 347 HB2 LEU 43 HB2 LEU 43 5.305 -18.019 -0.670 348 HB3 LEU 43 HB3 LEU 43 4.542 -18.322 -2.220 349 HG LEU 43 HG LEU 43 3.387 -20.294 -1.133 350 HD11 LEU 43 HD11 LEU 43 4.415 -19.005 1.369 351 HD12 LEU 43 HD12 LEU 43 4.852 -20.594 0.743 352 HD13 LEU 43 HD13 LEU 43 3.204 -20.285 1.286 353 HD21 LEU 43 HD21 LEU 43 2.210 -18.227 -1.572 354 HD22 LEU 43 HD22 LEU 43 2.815 -17.539 -0.067 355 HD23 LEU 43 HD23 LEU 43 1.701 -18.905 -0.027 356 H ASN 44 H ASN 44 5.866 -19.655 -4.176 357 HA ASN 44 HA ASN 44 4.051 -21.762 -4.720 358 HB2 ASN 44 HB2 ASN 44 5.920 -20.113 -6.359 359 HB3 ASN 44 HB3 ASN 44 5.279 -21.587 -7.074 360 HD21 ASN 44 HD21 ASN 44 4.501 -18.425 -5.845 361 HD22 ASN 44 HD22 ASN 44 2.926 -18.340 -6.554 362 H GLU 45 H GLU 45 7.499 -21.639 -4.419 363 HA GLU 45 HA GLU 45 7.872 -24.333 -5.397 364 HB2 GLU 45 HB2 GLU 45 9.502 -22.460 -5.771 365 HB3 GLU 45 HB3 GLU 45 9.901 -22.548 -4.062 366 HG2 GLU 45 HG2 GLU 45 11.545 -23.743 -5.324 367 HG3 GLU 45 HG3 GLU 45 10.593 -24.893 -4.384 368 H ASN 46 H ASN 46 8.151 -22.693 -2.247 369 HA ASN 46 HA ASN 46 8.915 -25.166 -0.933 370 HB2 ASN 46 HB2 ASN 46 9.834 -22.956 -0.224 371 HB3 ASN 46 HB3 ASN 46 8.228 -22.497 0.327 372 HD21 ASN 46 HD21 ASN 46 9.190 -22.198 2.412 373 HD22 ASN 46 HD22 ASN 46 9.471 -23.561 3.438 374 H LYS 47 H LYS 47 6.123 -23.345 -1.449 375 HA LYS 47 HA LYS 47 3.817 -23.590 -0.913 376 HB2 LYS 47 HB2 LYS 47 4.663 -25.978 -1.827 377 HB3 LYS 47 HB3 LYS 47 4.244 -26.445 -0.188 378 HG2 LYS 47 HG2 LYS 47 2.404 -26.862 -1.728 379 HG3 LYS 47 HG3 LYS 47 1.968 -25.668 -0.506 380 HD2 LYS 47 HD2 LYS 47 1.156 -24.991 -2.705 381 HD3 LYS 47 HD3 LYS 47 2.382 -23.865 -2.134 382 HE2 LYS 47 HE2 LYS 47 2.818 -24.288 -4.434 383 HE3 LYS 47 HE3 LYS 47 4.052 -25.137 -3.512 384 HZ1 LYS 47 HZ1 LYS 47 3.308 -26.604 -5.165 385 HZ2 LYS 47 HZ2 LYS 47 1.681 -26.281 -4.860 386 HZ3 LYS 47 HZ3 LYS 47 2.596 -27.155 -3.737 387 H SER 48 H SER 48 5.862 -23.183 1.192 388 HA SER 48 HA SER 48 5.158 -24.482 3.599 389 HB2 SER 48 HB2 SER 48 7.250 -23.377 3.559 390 HB3 SER 48 HB3 SER 48 6.516 -21.830 3.141 391 HG SER 48 HG SER 48 6.652 -23.157 5.603 392 H LYS 49 H LYS 49 3.318 -24.422 4.713 393 HA LYS 49 HA LYS 49 1.301 -22.563 4.256 394 HB2 LYS 49 HB2 LYS 49 0.261 -23.523 6.346 395 HB3 LYS 49 HB3 LYS 49 0.661 -24.700 5.113 396 HG2 LYS 49 HG2 LYS 49 2.628 -24.194 7.278 397 HG3 LYS 49 HG3 LYS 49 1.183 -25.138 7.642 398 HD2 LYS 49 HD2 LYS 49 1.743 -26.614 5.712 399 HD3 LYS 49 HD3 LYS 49 3.259 -25.737 5.527 400 HE2 LYS 49 HE2 LYS 49 3.612 -27.772 6.770 401 HE3 LYS 49 HE3 LYS 49 3.894 -26.373 7.800 402 HZ1 LYS 49 HZ1 LYS 49 2.476 -28.360 8.644 403 HZ2 LYS 49 HZ2 LYS 49 1.227 -27.606 7.772 404 HZ3 LYS 49 HZ3 LYS 49 2.021 -26.777 9.020 405 H GLU 50 H GLU 50 3.786 -22.800 6.790 406 HA GLU 50 HA GLU 50 2.990 -20.607 8.323 407 HB2 GLU 50 HB2 GLU 50 5.767 -21.693 7.851 408 HB3 GLU 50 HB3 GLU 50 5.324 -20.581 9.139 409 HG2 GLU 50 HG2 GLU 50 3.962 -22.215 10.193 410 HG3 GLU 50 HG3 GLU 50 4.092 -23.302 8.809 411 H LEU 51 H LEU 51 5.290 -20.765 5.638 412 HA LEU 51 HA LEU 51 5.878 -18.004 5.581 413 HB2 LEU 51 HB2 LEU 51 7.196 -19.549 4.229 414 HB3 LEU 51 HB3 LEU 51 5.790 -19.936 3.255 415 HG LEU 51 HG LEU 51 5.757 -17.619 2.392 416 HD11 LEU 51 HD11 LEU 51 6.822 -16.497 4.281 417 HD12 LEU 51 HD12 LEU 51 7.637 -16.132 2.760 418 HD13 LEU 51 HD13 LEU 51 8.354 -17.285 3.890 419 HD21 LEU 51 HD21 LEU 51 6.898 -19.355 1.133 420 HD22 LEU 51 HD22 LEU 51 8.388 -19.051 2.032 421 HD23 LEU 51 HD23 LEU 51 7.729 -17.808 0.964 422 H GLN 52 H GLN 52 3.303 -19.857 4.050 423 HA GLN 52 HA GLN 52 2.030 -17.842 2.630 424 HB2 GLN 52 HB2 GLN 52 1.335 -20.148 2.427 425 HB3 GLN 52 HB3 GLN 52 0.850 -20.190 4.116 426 HG2 GLN 52 HG2 GLN 52 -0.835 -18.400 3.541 427 HG3 GLN 52 HG3 GLN 52 -0.454 -18.718 1.850 428 HE21 GLN 52 HE21 GLN 52 -1.890 -19.970 4.747 429 HE22 GLN 52 HE22 GLN 52 -2.708 -21.297 4.005 430 H GLU 53 H GLU 53 1.505 -18.816 6.066 431 HA GLU 53 HA GLU 53 -0.470 -16.957 6.599 432 HB2 GLU 53 HB2 GLU 53 -0.012 -18.924 7.980 433 HB3 GLU 53 HB3 GLU 53 1.532 -18.238 8.459 434 HG2 GLU 53 HG2 GLU 53 0.453 -16.452 9.599 435 HG3 GLU 53 HG3 GLU 53 -1.122 -16.963 8.994 436 H LYS 54 H LYS 54 3.065 -16.769 7.106 437 HA LYS 54 HA LYS 54 3.119 -14.221 8.286 438 HB2 LYS 54 HB2 LYS 54 5.210 -15.420 6.450 439 HB3 LYS 54 HB3 LYS 54 5.470 -14.129 7.611 440 HG2 LYS 54 HG2 LYS 54 4.720 -16.972 8.286 441 HG3 LYS 54 HG3 LYS 54 6.336 -16.281 8.401 442 HD2 LYS 54 HD2 LYS 54 3.937 -15.264 9.928 443 HD3 LYS 54 HD3 LYS 54 5.113 -16.407 10.575 444 HE2 LYS 54 HE2 LYS 54 5.705 -13.604 9.622 445 HE3 LYS 54 HE3 LYS 54 5.583 -14.119 11.301 446 HZ1 LYS 54 HZ1 LYS 54 7.464 -15.633 10.892 447 HZ2 LYS 54 HZ2 LYS 54 7.872 -14.013 10.664 448 HZ3 LYS 54 HZ3 LYS 54 7.613 -15.005 9.326 449 H ILE 55 H ILE 55 3.184 -15.235 4.981 450 HA ILE 55 HA ILE 55 3.513 -12.676 3.792 451 HB ILE 55 HB ILE 55 2.271 -15.188 2.654 452 HG12 ILE 55 HG12 ILE 55 4.895 -13.779 2.105 453 HG13 ILE 55 HG13 ILE 55 4.701 -15.213 3.104 454 HG21 ILE 55 HG21 ILE 55 1.243 -13.262 1.553 455 HG22 ILE 55 HG22 ILE 55 2.334 -14.105 0.452 456 HG23 ILE 55 HG23 ILE 55 2.839 -12.595 1.209 457 HD11 ILE 55 HD11 ILE 55 5.555 -15.744 0.886 458 HD12 ILE 55 HD12 ILE 55 4.111 -15.037 0.160 459 HD13 ILE 55 HD13 ILE 55 3.978 -16.479 1.167 460 H ILE 56 H ILE 56 0.569 -14.550 4.486 461 HA ILE 56 HA ILE 56 -1.315 -12.651 3.624 462 HB ILE 56 HB ILE 56 -1.520 -14.711 5.838 463 HG12 ILE 56 HG12 ILE 56 -1.137 -15.623 3.575 464 HG13 ILE 56 HG13 ILE 56 -2.716 -16.069 4.215 465 HG21 ILE 56 HG21 ILE 56 -3.958 -14.466 5.676 466 HG22 ILE 56 HG22 ILE 56 -3.740 -13.118 4.561 467 HG23 ILE 56 HG23 ILE 56 -3.176 -12.984 6.227 468 HD11 ILE 56 HD11 ILE 56 -3.743 -14.314 2.851 469 HD12 ILE 56 HD12 ILE 56 -2.866 -15.492 1.875 470 HD13 ILE 56 HD13 ILE 56 -2.158 -13.909 2.193 471 H ARG 57 H ARG 57 0.311 -13.055 6.730 472 HA ARG 57 HA ARG 57 -1.223 -11.110 8.112 473 HB2 ARG 57 HB2 ARG 57 1.138 -12.780 8.671 474 HB3 ARG 57 HB3 ARG 57 1.063 -11.268 9.566 475 HG2 ARG 57 HG2 ARG 57 0.068 -13.120 10.805 476 HG3 ARG 57 HG3 ARG 57 -1.116 -11.864 10.440 477 HD2 ARG 57 HD2 ARG 57 -1.765 -13.262 8.428 478 HD3 ARG 57 HD3 ARG 57 -0.782 -14.547 9.129 479 HE ARG 57 HE ARG 57 -2.480 -13.711 11.122 480 HH11 ARG 57 HH11 ARG 57 -2.780 -15.178 7.948 481 HH12 ARG 57 HH12 ARG 57 -4.307 -15.917 8.288 482 HH21 ARG 57 HH21 ARG 57 -4.507 -14.663 11.568 483 HH22 ARG 57 HH22 ARG 57 -5.290 -15.626 10.368 484 H GLU 58 H GLU 58 1.997 -10.976 6.533 485 HA GLU 58 HA GLU 58 2.352 -8.285 7.315 486 HB2 GLU 58 HB2 GLU 58 4.165 -9.972 6.705 487 HB3 GLU 58 HB3 GLU 58 3.749 -9.643 5.029 488 HG2 GLU 58 HG2 GLU 58 5.583 -8.269 5.523 489 HG3 GLU 58 HG3 GLU 58 4.160 -7.224 5.529 490 H LEU 59 H LEU 59 0.990 -9.928 4.491 491 HA LEU 59 HA LEU 59 0.855 -7.719 2.775 492 HB2 LEU 59 HB2 LEU 59 0.477 -10.166 2.233 493 HB3 LEU 59 HB3 LEU 59 -1.106 -10.006 2.960 494 HG LEU 59 HG LEU 59 -1.667 -8.289 1.229 495 HD11 LEU 59 HD11 LEU 59 0.580 -7.545 0.706 496 HD12 LEU 59 HD12 LEU 59 -0.243 -8.125 -0.742 497 HD13 LEU 59 HD13 LEU 59 0.965 -9.138 0.051 498 HD21 LEU 59 HD21 LEU 59 -2.345 -10.612 0.966 499 HD22 LEU 59 HD22 LEU 59 -0.797 -10.987 0.207 500 HD23 LEU 59 HD23 LEU 59 -1.930 -9.897 -0.592 501 H ASP 60 H ASP 60 -1.401 -9.055 5.146 502 HA ASP 60 HA ASP 60 -3.550 -7.320 4.748 503 HB2 ASP 60 HB2 ASP 60 -3.863 -9.310 6.033 504 HB3 ASP 60 HB3 ASP 60 -2.649 -8.814 7.205 505 H VAL 61 H VAL 61 -0.876 -7.041 7.083 506 HA VAL 61 HA VAL 61 -1.835 -4.644 8.231 507 HB VAL 61 HB VAL 61 -0.181 -6.022 9.413 508 HG11 VAL 61 HG11 VAL 61 2.168 -6.008 8.784 509 HG12 VAL 61 HG12 VAL 61 1.769 -5.104 7.323 510 HG13 VAL 61 HG13 VAL 61 1.157 -6.744 7.540 511 HG21 VAL 61 HG21 VAL 61 1.309 -4.253 10.199 512 HG22 VAL 61 HG22 VAL 61 -0.358 -3.687 10.045 513 HG23 VAL 61 HG23 VAL 61 0.842 -3.257 8.822 514 H VAL 62 H VAL 62 0.295 -5.252 5.501 515 HA VAL 62 HA VAL 62 1.017 -2.551 5.011 516 HB VAL 62 HB VAL 62 0.934 -4.957 3.176 517 HG11 VAL 62 HG11 VAL 62 0.671 -2.935 1.838 518 HG12 VAL 62 HG12 VAL 62 2.267 -3.649 1.593 519 HG13 VAL 62 HG13 VAL 62 2.083 -2.225 2.619 520 HG21 VAL 62 HG21 VAL 62 3.205 -3.515 4.530 521 HG22 VAL 62 HG22 VAL 62 3.381 -4.858 3.402 522 HG23 VAL 62 HG23 VAL 62 2.576 -5.106 4.952 523 H CYS 63 H CYS 63 -1.524 -4.633 3.789 524 HA CYS 63 HA CYS 63 -2.613 -2.799 1.930 525 HB2 CYS 63 HB2 CYS 63 -3.970 -5.070 3.398 526 HB3 CYS 63 HB3 CYS 63 -4.681 -4.180 2.057 527 HG CYS 63 HG CYS 63 -1.954 -6.226 1.956 528 H ALA 64 H ALA 64 -3.317 -3.406 5.375 529 HA ALA 64 HA ALA 64 -5.502 -1.657 5.539 530 HB1 ALA 64 HB1 ALA 64 -5.049 -3.474 7.117 531 HB2 ALA 64 HB2 ALA 64 -5.224 -1.919 7.933 532 HB3 ALA 64 HB3 ALA 64 -3.618 -2.612 7.679 533 H MET 65 H MET 65 -2.044 -1.246 6.385 534 HA MET 65 HA MET 65 -2.396 1.393 7.345 535 HB2 MET 65 HB2 MET 65 -0.028 1.578 7.437 536 HB3 MET 65 HB3 MET 65 -0.409 -0.093 7.823 537 HG2 MET 65 HG2 MET 65 0.226 -0.799 5.627 538 HG3 MET 65 HG3 MET 65 0.466 0.868 5.116 539 HE1 MET 65 HE1 MET 65 1.503 -1.053 8.414 540 HE2 MET 65 HE2 MET 65 3.163 -1.491 7.995 541 HE3 MET 65 HE3 MET 65 1.810 -2.151 7.069 542 H ILE 66 H ILE 66 -1.558 0.110 4.167 543 HA ILE 66 HA ILE 66 -1.079 2.595 2.923 544 HB ILE 66 HB ILE 66 -1.483 -0.194 2.024 545 HG12 ILE 66 HG12 ILE 66 0.424 0.363 0.534 546 HG13 ILE 66 HG13 ILE 66 0.330 2.035 1.063 547 HG21 ILE 66 HG21 ILE 66 -2.081 2.051 0.106 548 HG22 ILE 66 HG22 ILE 66 -3.215 0.826 0.676 549 HG23 ILE 66 HG23 ILE 66 -1.846 0.358 -0.333 550 HD11 ILE 66 HD11 ILE 66 0.985 1.415 3.288 551 HD12 ILE 66 HD12 ILE 66 2.140 0.735 2.140 552 HD13 ILE 66 HD13 ILE 66 0.915 -0.297 2.878 553 H GLU 67 H GLU 67 -4.028 0.661 3.309 554 HA GLU 67 HA GLU 67 -5.668 2.309 1.693 555 HB2 GLU 67 HB2 GLU 67 -6.188 0.190 3.740 556 HB3 GLU 67 HB3 GLU 67 -7.520 1.173 3.148 557 HG2 GLU 67 HG2 GLU 67 -5.672 -0.305 1.302 558 HG3 GLU 67 HG3 GLU 67 -7.114 -1.049 1.996 559 H GLY 68 H GLY 68 -4.858 2.310 5.131 560 HA2 GLY 68 HA2 GLY 68 -6.808 4.179 5.939 561 HA3 GLY 68 HA3 GLY 68 -5.327 3.783 6.799 562 H ALA 69 H ALA 69 -3.390 4.565 5.067 563 HA ALA 69 HA ALA 69 -3.350 7.367 5.477 564 HB1 ALA 69 HB1 ALA 69 -1.201 7.323 4.330 565 HB2 ALA 69 HB2 ALA 69 -1.521 5.684 3.762 566 HB3 ALA 69 HB3 ALA 69 -1.313 5.994 5.487 567 H GLN 70 H GLN 70 -3.975 5.344 2.676 568 HA GLN 70 HA GLN 70 -3.930 7.465 0.770 569 HB2 GLN 70 HB2 GLN 70 -5.170 4.725 0.650 570 HB3 GLN 70 HB3 GLN 70 -5.369 5.890 -0.650 571 HG2 GLN 70 HG2 GLN 70 -2.838 6.014 -0.741 572 HG3 GLN 70 HG3 GLN 70 -2.831 4.605 0.317 573 HE21 GLN 70 HE21 GLN 70 -5.215 5.185 -2.199 574 HE22 GLN 70 HE22 GLN 70 -4.724 3.879 -3.214 575 H GLY 71 H GLY 71 -6.486 6.008 2.687 576 HA2 GLY 71 HA2 GLY 71 -8.639 7.413 1.460 577 HA3 GLY 71 HA3 GLY 71 -8.690 6.638 3.036 578 H ALA 72 H ALA 72 -6.671 8.059 4.246 579 HA ALA 72 HA ALA 72 -8.145 10.324 5.197 580 HB1 ALA 72 HB1 ALA 72 -6.696 9.040 6.688 581 HB2 ALA 72 HB2 ALA 72 -6.221 10.738 6.652 582 HB3 ALA 72 HB3 ALA 72 -5.288 9.539 5.756 583 H LEU 73 H LEU 73 -5.018 10.019 3.532 584 HA LEU 73 HA LEU 73 -4.575 12.729 3.110 585 HB2 LEU 73 HB2 LEU 73 -2.871 10.985 2.894 586 HB3 LEU 73 HB3 LEU 73 -3.669 10.377 1.458 587 HG LEU 73 HG LEU 73 -3.204 12.547 0.344 588 HD11 LEU 73 HD11 LEU 73 -1.515 14.025 1.334 589 HD12 LEU 73 HD12 LEU 73 -1.573 13.077 2.819 590 HD13 LEU 73 HD13 LEU 73 -2.998 13.969 2.285 591 HD21 LEU 73 HD21 LEU 73 -1.775 10.648 -0.050 592 HD22 LEU 73 HD22 LEU 73 -0.835 11.014 1.398 593 HD23 LEU 73 HD23 LEU 73 -0.803 12.119 0.021 594 H GLU 74 H GLU 74 -6.240 10.331 1.091 595 HA GLU 74 HA GLU 74 -6.627 11.808 -1.226 596 HB2 GLU 74 HB2 GLU 74 -7.595 9.391 -0.096 597 HB3 GLU 74 HB3 GLU 74 -8.997 10.300 -0.633 598 HG2 GLU 74 HG2 GLU 74 -6.621 9.694 -2.373 599 HG3 GLU 74 HG3 GLU 74 -8.073 8.699 -2.303 600 H ARG 75 H ARG 75 -8.763 11.582 1.600 601 HA ARG 75 HA ARG 75 -10.720 13.383 0.735 602 HB2 ARG 75 HB2 ARG 75 -11.081 11.942 2.648 603 HB3 ARG 75 HB3 ARG 75 -9.792 12.737 3.538 604 HG2 ARG 75 HG2 ARG 75 -11.116 14.842 3.446 605 HG3 ARG 75 HG3 ARG 75 -12.433 13.919 2.722 606 HD2 ARG 75 HD2 ARG 75 -11.183 13.310 5.394 607 HD3 ARG 75 HD3 ARG 75 -12.654 14.247 5.173 608 HE ARG 75 HE ARG 75 -12.393 11.420 4.373 609 HH11 ARG 75 HH11 ARG 75 -14.255 14.078 5.705 610 HH12 ARG 75 HH12 ARG 75 -15.631 13.096 6.076 611 HH21 ARG 75 HH21 ARG 75 -14.221 10.121 4.868 612 HH22 ARG 75 HH22 ARG 75 -15.605 10.840 5.618 613 H GLU 76 H GLU 76 -7.684 13.937 2.410 614 HA GLU 76 HA GLU 76 -8.179 16.708 2.900 615 HB2 GLU 76 HB2 GLU 76 -6.591 15.267 4.212 616 HB3 GLU 76 HB3 GLU 76 -5.489 15.339 2.847 617 HG2 GLU 76 HG2 GLU 76 -5.231 17.706 3.093 618 HG3 GLU 76 HG3 GLU 76 -6.499 17.762 4.319 619 H LEU 77 H LEU 77 -5.909 15.085 0.567 620 HA LEU 77 HA LEU 77 -5.213 17.462 -0.672 621 HB2 LEU 77 HB2 LEU 77 -4.327 16.038 -2.507 622 HB3 LEU 77 HB3 LEU 77 -3.771 15.586 -0.916 623 HG LEU 77 HG LEU 77 -5.501 13.718 -0.988 624 HD11 LEU 77 HD11 LEU 77 -6.877 14.593 -2.805 625 HD12 LEU 77 HD12 LEU 77 -6.246 12.991 -3.182 626 HD13 LEU 77 HD13 LEU 77 -5.520 14.420 -3.919 627 HD21 LEU 77 HD21 LEU 77 -3.324 13.641 -3.066 628 HD22 LEU 77 HD22 LEU 77 -4.036 12.266 -2.220 629 HD23 LEU 77 HD23 LEU 77 -3.063 13.443 -1.337 630 H LYS 78 H LYS 78 -8.126 15.769 -0.916 631 HA LYS 78 HA LYS 78 -8.583 16.424 -3.643 632 HB2 LYS 78 HB2 LYS 78 -10.168 15.174 -1.500 633 HB3 LYS 78 HB3 LYS 78 -11.062 15.907 -2.848 634 HG2 LYS 78 HG2 LYS 78 -8.812 13.941 -3.174 635 HG3 LYS 78 HG3 LYS 78 -10.523 13.474 -3.151 636 HD2 LYS 78 HD2 LYS 78 -10.946 14.577 -5.180 637 HD3 LYS 78 HD3 LYS 78 -9.486 15.556 -5.057 638 HE2 LYS 78 HE2 LYS 78 -9.244 13.836 -6.761 639 HE3 LYS 78 HE3 LYS 78 -8.115 13.578 -5.435 640 HZ1 LYS 78 HZ1 LYS 78 -9.245 11.540 -6.247 641 HZ2 LYS 78 HZ2 LYS 78 -10.710 12.150 -5.655 642 HZ3 LYS 78 HZ3 LYS 78 -9.428 11.822 -4.594 643 H ARG 79 H ARG 79 -8.699 18.159 -0.755 644 HA ARG 79 HA ARG 79 -10.538 20.128 -1.847 645 HB2 ARG 79 HB2 ARG 79 -10.769 19.620 0.522 646 HB3 ARG 79 HB3 ARG 79 -9.086 20.054 0.803 647 HG2 ARG 79 HG2 ARG 79 -9.542 22.353 0.223 648 HG3 ARG 79 HG3 ARG 79 -11.207 21.947 -0.187 649 HD2 ARG 79 HD2 ARG 79 -11.686 21.397 2.102 650 HD3 ARG 79 HD3 ARG 79 -9.990 21.602 2.547 651 HE ARG 79 HE ARG 79 -10.209 23.946 2.173 652 HH11 ARG 79 HH11 ARG 79 -13.266 22.204 2.117 653 HH12 ARG 79 HH12 ARG 79 -14.211 23.616 2.419 654 HH21 ARG 79 HH21 ARG 79 -11.473 25.803 2.570 655 HH22 ARG 79 HH22 ARG 79 -13.198 25.668 2.669 656 H THR 80 H THR 80 -7.140 19.551 -1.635 657 HA THR 80 HA THR 80 -6.436 22.325 -1.942 658 HB THR 80 HB THR 80 -4.091 21.271 -2.360 659 HG1 THR 80 HG1 THR 80 -4.270 19.156 -2.510 660 HG21 THR 80 HG21 THR 80 -5.510 20.987 0.295 661 HG22 THR 80 HG22 THR 80 -4.738 22.451 -0.316 662 HG23 THR 80 HG23 THR 80 -3.760 21.033 0.066 663 H ASP 81 H ASP 81 -7.857 20.386 -3.983 664 HA ASP 81 HA ASP 81 -6.656 20.620 -6.475 665 HB2 ASP 81 HB2 ASP 81 -8.796 19.408 -5.963 666 HB3 ASP 81 HB3 ASP 81 -9.618 20.954 -5.844 667 H LEU 82 H LEU 82 -9.052 22.461 -7.594 668 HA LEU 82 HA LEU 82 -9.175 24.520 -8.432 669 HB2 LEU 82 HB2 LEU 82 -9.289 24.797 -5.753 670 HB3 LEU 82 HB3 LEU 82 -7.868 25.764 -6.088 671 HG LEU 82 HG LEU 82 -10.543 26.240 -7.405 672 HD11 LEU 82 HD11 LEU 82 -10.791 28.102 -5.835 673 HD12 LEU 82 HD12 LEU 82 -9.338 27.568 -4.987 674 HD13 LEU 82 HD13 LEU 82 -10.771 26.542 -5.014 675 HD21 LEU 82 HD21 LEU 82 -8.072 27.954 -7.165 676 HD22 LEU 82 HD22 LEU 82 -9.587 28.429 -7.931 677 HD23 LEU 82 HD23 LEU 82 -8.619 27.126 -8.620 678 H ASN 83 H ASN 83 -7.415 23.591 -9.792 679 HA ASN 83 HA ASN 83 -5.621 25.411 -10.731 680 HB2 ASN 83 HB2 ASN 83 -4.600 25.056 -8.397 681 HB3 ASN 83 HB3 ASN 83 -3.921 23.606 -9.156 682 HD21 ASN 83 HD21 ASN 83 -1.910 24.310 -9.338 683 HD22 ASN 83 HD22 ASN 83 -1.450 25.622 -10.376 684 H ILE 84 H ILE 84 -4.767 24.722 -12.561 685 HA ILE 84 HA ILE 84 -5.615 22.278 -13.629 686 HB ILE 84 HB ILE 84 -3.387 24.039 -14.667 687 HG12 ILE 84 HG12 ILE 84 -6.340 24.039 -15.336 688 HG13 ILE 84 HG13 ILE 84 -5.525 25.233 -14.335 689 HG21 ILE 84 HG21 ILE 84 -3.344 21.843 -15.693 690 HG22 ILE 84 HG22 ILE 84 -3.946 23.030 -16.851 691 HG23 ILE 84 HG23 ILE 84 -5.071 21.942 -16.038 692 HD11 ILE 84 HD11 ILE 84 -4.968 24.707 -17.246 693 HD12 ILE 84 HD12 ILE 84 -4.170 25.917 -16.241 694 HD13 ILE 84 HD13 ILE 84 -5.893 26.058 -16.589 695 H LEU 85 H LEU 85 -2.451 23.206 -12.242 696 HA LEU 85 HA LEU 85 -1.087 20.892 -13.140 697 HB2 LEU 85 HB2 LEU 85 -0.166 23.192 -12.390 698 HB3 LEU 85 HB3 LEU 85 -0.319 22.572 -10.765 699 HG LEU 85 HG LEU 85 1.385 21.276 -12.903 700 HD11 LEU 85 HD11 LEU 85 2.209 23.511 -12.418 701 HD12 LEU 85 HD12 LEU 85 3.293 22.285 -11.762 702 HD13 LEU 85 HD13 LEU 85 2.195 23.155 -10.690 703 HD21 LEU 85 HD21 LEU 85 0.712 19.756 -11.105 704 HD22 LEU 85 HD22 LEU 85 1.312 20.901 -9.903 705 HD23 LEU 85 HD23 LEU 85 2.436 20.117 -11.015 706 H GLU 86 H GLU 86 -2.353 21.853 -9.934 707 HA GLU 86 HA GLU 86 -1.709 19.486 -8.630 708 HB2 GLU 86 HB2 GLU 86 -3.885 21.491 -8.067 709 HB3 GLU 86 HB3 GLU 86 -3.610 20.092 -7.043 710 HG2 GLU 86 HG2 GLU 86 -2.433 21.724 -5.945 711 HG3 GLU 86 HG3 GLU 86 -1.175 20.975 -6.924 712 H ARG 87 H ARG 87 -4.591 20.308 -10.529 713 HA ARG 87 HA ARG 87 -6.110 18.095 -9.745 714 HB2 ARG 87 HB2 ARG 87 -7.009 20.077 -10.901 715 HB3 ARG 87 HB3 ARG 87 -6.159 19.595 -12.360 716 HG2 ARG 87 HG2 ARG 87 -7.537 17.712 -12.657 717 HG3 ARG 87 HG3 ARG 87 -8.201 17.849 -11.028 718 HD2 ARG 87 HD2 ARG 87 -8.584 19.820 -13.272 719 HD3 ARG 87 HD3 ARG 87 -9.786 18.672 -12.683 720 HE ARG 87 HE ARG 87 -9.289 19.973 -10.449 721 HH11 ARG 87 HH11 ARG 87 -9.718 21.279 -13.690 722 HH12 ARG 87 HH12 ARG 87 -10.353 22.786 -13.141 723 HH21 ARG 87 HH21 ARG 87 -10.157 21.941 -9.713 724 HH22 ARG 87 HH22 ARG 87 -10.608 23.178 -10.849 725 H PHE 88 H PHE 88 -3.867 18.602 -12.409 726 HA PHE 88 HA PHE 88 -4.203 16.034 -13.566 727 HB2 PHE 88 HB2 PHE 88 -3.406 17.809 -14.954 728 HB3 PHE 88 HB3 PHE 88 -2.071 18.151 -13.859 729 HD1 PHE 88 HD1 PHE 88 -3.424 15.448 -16.031 730 HD2 PHE 88 HD2 PHE 88 0.006 17.260 -14.285 731 HE1 PHE 88 HE1 PHE 88 -1.977 13.943 -17.326 732 HE2 PHE 88 HE2 PHE 88 1.460 15.761 -15.578 733 HZ PHE 88 HZ PHE 88 0.470 14.098 -17.101 734 H ASN 89 H ASN 89 -1.699 17.431 -11.471 735 HA ASN 89 HA ASN 89 -0.005 15.221 -11.333 736 HB2 ASN 89 HB2 ASN 89 0.476 17.530 -10.452 737 HB3 ASN 89 HB3 ASN 89 -0.539 17.154 -9.066 738 HD21 ASN 89 HD21 ASN 89 1.625 14.873 -10.649 739 HD22 ASN 89 HD22 ASN 89 2.720 14.728 -9.324 740 H TYR 90 H TYR 90 -2.622 16.126 -9.100 741 HA TYR 90 HA TYR 90 -2.604 13.909 -7.433 742 HB2 TYR 90 HB2 TYR 90 -4.882 15.623 -8.405 743 HB3 TYR 90 HB3 TYR 90 -5.083 14.379 -7.183 744 HD1 TYR 90 HD1 TYR 90 -1.937 16.197 -7.123 745 HD2 TYR 90 HD2 TYR 90 -5.954 16.166 -5.748 746 HE1 TYR 90 HE1 TYR 90 -1.353 17.835 -5.403 747 HE2 TYR 90 HE2 TYR 90 -5.396 17.779 -4.030 748 HH TYR 90 HH TYR 90 -2.560 19.590 -4.065 749 H GLU 91 H GLU 91 -4.233 14.374 -10.526 750 HA GLU 91 HA GLU 91 -5.694 11.981 -10.573 751 HB2 GLU 91 HB2 GLU 91 -6.070 13.946 -12.053 752 HB3 GLU 91 HB3 GLU 91 -4.599 13.530 -12.920 753 HG2 GLU 91 HG2 GLU 91 -5.539 11.491 -13.691 754 HG3 GLU 91 HG3 GLU 91 -6.945 11.682 -12.646 755 H GLU 92 H GLU 92 -2.435 12.795 -11.678 756 HA GLU 92 HA GLU 92 -1.866 10.295 -12.861 757 HB2 GLU 92 HB2 GLU 92 -0.531 12.291 -13.349 758 HB3 GLU 92 HB3 GLU 92 0.011 12.356 -11.677 759 HG2 GLU 92 HG2 GLU 92 1.110 10.170 -11.980 760 HG3 GLU 92 HG3 GLU 92 0.620 10.187 -13.673 761 H ALA 93 H ALA 93 -1.161 11.610 -9.572 762 HA ALA 93 HA ALA 93 0.152 9.395 -8.583 763 HB1 ALA 93 HB1 ALA 93 -0.441 10.271 -6.382 764 HB2 ALA 93 HB2 ALA 93 -1.649 11.325 -7.119 765 HB3 ALA 93 HB3 ALA 93 0.061 11.572 -7.462 766 H GLN 94 H GLN 94 -3.313 10.188 -8.557 767 HA GLN 94 HA GLN 94 -4.230 7.929 -7.185 768 HB2 GLN 94 HB2 GLN 94 -5.570 9.565 -9.345 769 HB3 GLN 94 HB3 GLN 94 -6.391 8.328 -8.408 770 HG2 GLN 94 HG2 GLN 94 -5.995 9.583 -6.367 771 HG3 GLN 94 HG3 GLN 94 -5.117 10.810 -7.279 772 HE21 GLN 94 HE21 GLN 94 -6.253 12.219 -8.597 773 HE22 GLN 94 HE22 GLN 94 -7.968 12.416 -8.490 774 H THR 95 H THR 95 -3.489 8.445 -10.553 775 HA THR 95 HA THR 95 -4.489 6.034 -11.584 776 HB THR 95 HB THR 95 -2.170 7.692 -12.592 777 HG1 THR 95 HG1 THR 95 -3.995 8.928 -12.726 778 HG21 THR 95 HG21 THR 95 -3.806 5.578 -14.017 779 HG22 THR 95 HG22 THR 95 -2.136 5.383 -13.485 780 HG23 THR 95 HG23 THR 95 -2.530 6.561 -14.739 781 H LEU 96 H LEU 96 -1.218 6.860 -10.375 782 HA LEU 96 HA LEU 96 -0.135 4.294 -10.933 783 HB2 LEU 96 HB2 LEU 96 0.817 6.381 -8.967 784 HB3 LEU 96 HB3 LEU 96 1.749 5.018 -9.555 785 HG LEU 96 HG LEU 96 0.788 7.331 -11.242 786 HD11 LEU 96 HD11 LEU 96 2.525 8.004 -9.685 787 HD12 LEU 96 HD12 LEU 96 3.150 7.960 -11.333 788 HD13 LEU 96 HD13 LEU 96 3.537 6.659 -10.208 789 HD21 LEU 96 HD21 LEU 96 0.944 5.279 -12.537 790 HD22 LEU 96 HD22 LEU 96 2.570 4.989 -11.920 791 HD23 LEU 96 HD23 LEU 96 2.258 6.374 -12.966 792 H SER 97 H SER 97 -1.649 5.805 -8.149 793 HA SER 97 HA SER 97 -1.072 3.901 -6.206 794 HB2 SER 97 HB2 SER 97 -3.579 5.576 -6.474 795 HB3 SER 97 HB3 SER 97 -3.023 4.778 -5.003 796 HG SER 97 HG SER 97 -1.716 6.866 -6.424 797 H LYS 98 H LYS 98 -3.859 4.101 -8.447 798 HA LYS 98 HA LYS 98 -5.178 1.830 -7.491 799 HB2 LYS 98 HB2 LYS 98 -5.291 3.209 -10.178 800 HB3 LYS 98 HB3 LYS 98 -6.441 2.007 -9.616 801 HG2 LYS 98 HG2 LYS 98 -7.194 3.457 -7.863 802 HG3 LYS 98 HG3 LYS 98 -5.931 4.629 -8.235 803 HD2 LYS 98 HD2 LYS 98 -6.943 4.927 -10.487 804 HD3 LYS 98 HD3 LYS 98 -8.256 3.851 -9.999 805 HE2 LYS 98 HE2 LYS 98 -8.847 5.381 -8.189 806 HE3 LYS 98 HE3 LYS 98 -7.518 6.443 -8.641 807 HZ1 LYS 98 HZ1 LYS 98 -8.594 6.828 -10.769 808 HZ2 LYS 98 HZ2 LYS 98 -9.635 7.228 -9.494 809 HZ3 LYS 98 HZ3 LYS 98 -9.860 5.786 -10.345 810 H ILE 99 H ILE 99 -2.659 2.295 -9.901 811 HA ILE 99 HA ILE 99 -2.832 -0.291 -11.047 812 HB ILE 99 HB ILE 99 -0.415 1.524 -10.870 813 HG12 ILE 99 HG12 ILE 99 -2.417 1.123 -13.111 814 HG13 ILE 99 HG13 ILE 99 -2.351 2.526 -12.051 815 HG21 ILE 99 HG21 ILE 99 -0.947 -0.864 -12.637 816 HG22 ILE 99 HG22 ILE 99 0.183 -0.812 -11.289 817 HG23 ILE 99 HG23 ILE 99 0.474 0.181 -12.724 818 HD11 ILE 99 HD11 ILE 99 -1.343 3.004 -14.202 819 HD12 ILE 99 HD12 ILE 99 -0.212 1.667 -13.988 820 HD13 ILE 99 HD13 ILE 99 -0.131 3.068 -12.921 821 H LEU 100 H LEU 100 -0.869 1.073 -8.462 822 HA LEU 100 HA LEU 100 0.665 -1.206 -7.879 823 HB2 LEU 100 HB2 LEU 100 1.094 1.168 -7.128 824 HB3 LEU 100 HB3 LEU 100 -0.171 0.959 -5.939 825 HG LEU 100 HG LEU 100 2.219 0.759 -5.111 826 HD11 LEU 100 HD11 LEU 100 0.382 -1.575 -4.614 827 HD12 LEU 100 HD12 LEU 100 0.357 -0.027 -3.771 828 HD13 LEU 100 HD13 LEU 100 1.744 -1.102 -3.599 829 HD21 LEU 100 HD21 LEU 100 3.355 -1.370 -5.439 830 HD22 LEU 100 HD22 LEU 100 3.106 -0.547 -6.980 831 HD23 LEU 100 HD23 LEU 100 2.072 -1.902 -6.526 832 H LEU 101 H LEU 101 -2.383 -0.029 -6.512 833 HA LEU 101 HA LEU 101 -2.729 -1.990 -4.551 834 HB2 LEU 101 HB2 LEU 101 -4.806 -0.474 -6.122 835 HB3 LEU 101 HB3 LEU 101 -5.135 -1.413 -4.682 836 HG LEU 101 HG LEU 101 -3.358 1.023 -4.795 837 HD11 LEU 101 HD11 LEU 101 -5.691 1.587 -5.160 838 HD12 LEU 101 HD12 LEU 101 -5.157 2.126 -3.569 839 HD13 LEU 101 HD13 LEU 101 -6.152 0.678 -3.721 840 HD21 LEU 101 HD21 LEU 101 -3.460 0.884 -2.336 841 HD22 LEU 101 HD22 LEU 101 -2.657 -0.507 -3.059 842 HD23 LEU 101 HD23 LEU 101 -4.314 -0.652 -2.475 843 H LYS 102 H LYS 102 -3.702 -1.978 -7.948 844 HA LYS 102 HA LYS 102 -5.166 -4.403 -7.811 845 HB2 LYS 102 HB2 LYS 102 -3.892 -2.996 -10.142 846 HB3 LYS 102 HB3 LYS 102 -4.800 -4.488 -10.323 847 HG2 LYS 102 HG2 LYS 102 -6.719 -3.252 -9.185 848 HG3 LYS 102 HG3 LYS 102 -5.782 -1.785 -9.477 849 HD2 LYS 102 HD2 LYS 102 -6.692 -3.751 -11.584 850 HD3 LYS 102 HD3 LYS 102 -7.417 -2.177 -11.267 851 HE2 LYS 102 HE2 LYS 102 -4.568 -2.645 -12.147 852 HE3 LYS 102 HE3 LYS 102 -5.883 -2.148 -13.204 853 HZ1 LYS 102 HZ1 LYS 102 -6.112 -0.132 -11.913 854 HZ2 LYS 102 HZ2 LYS 102 -4.546 -0.284 -12.528 855 HZ3 LYS 102 HZ3 LYS 102 -4.848 -0.610 -10.891 856 H ASP 103 H ASP 103 -1.714 -3.734 -8.519 857 HA ASP 103 HA ASP 103 -1.136 -6.411 -9.267 858 HB2 ASP 103 HB2 ASP 103 0.219 -4.103 -9.509 859 HB3 ASP 103 HB3 ASP 103 0.977 -4.706 -8.040 860 H LEU 104 H LEU 104 -1.170 -4.632 -6.119 861 HA LEU 104 HA LEU 104 0.116 -6.616 -4.634 862 HB2 LEU 104 HB2 LEU 104 -0.260 -4.213 -4.013 863 HB3 LEU 104 HB3 LEU 104 -1.952 -4.588 -3.780 864 HG LEU 104 HG LEU 104 -1.292 -6.190 -1.981 865 HD11 LEU 104 HD11 LEU 104 1.433 -4.969 -2.406 866 HD12 LEU 104 HD12 LEU 104 0.983 -6.651 -2.686 867 HD13 LEU 104 HD13 LEU 104 0.972 -5.996 -1.050 868 HD21 LEU 104 HD21 LEU 104 -0.394 -3.332 -1.626 869 HD22 LEU 104 HD22 LEU 104 -0.800 -4.455 -0.327 870 HD23 LEU 104 HD23 LEU 104 -2.044 -3.927 -1.458 871 H LYS 105 H LYS 105 -3.292 -5.870 -5.291 872 HA LYS 105 HA LYS 105 -4.467 -7.947 -3.857 873 HB2 LYS 105 HB2 LYS 105 -5.366 -6.604 -6.403 874 HB3 LYS 105 HB3 LYS 105 -6.360 -7.737 -5.498 875 HG2 LYS 105 HG2 LYS 105 -6.295 -6.251 -3.560 876 HG3 LYS 105 HG3 LYS 105 -5.291 -5.116 -4.463 877 HD2 LYS 105 HD2 LYS 105 -7.613 -4.393 -4.478 878 HD3 LYS 105 HD3 LYS 105 -7.106 -4.847 -6.106 879 HE2 LYS 105 HE2 LYS 105 -8.192 -7.024 -5.839 880 HE3 LYS 105 HE3 LYS 105 -8.675 -6.585 -4.202 881 HZ1 LYS 105 HZ1 LYS 105 -9.537 -5.176 -6.668 882 HZ2 LYS 105 HZ2 LYS 105 -10.046 -4.835 -5.091 883 HZ3 LYS 105 HZ3 LYS 105 -10.459 -6.305 -5.810 884 H GLU 106 H GLU 106 -2.906 -7.993 -6.997 885 HA GLU 106 HA GLU 106 -3.759 -10.599 -7.729 886 HB2 GLU 106 HB2 GLU 106 -2.738 -8.963 -9.322 887 HB3 GLU 106 HB3 GLU 106 -1.187 -9.223 -8.532 888 HG2 GLU 106 HG2 GLU 106 -1.578 -11.707 -9.065 889 HG3 GLU 106 HG3 GLU 106 -2.788 -11.116 -10.199 890 H THR 107 H THR 107 -1.168 -9.333 -5.715 891 HA THR 107 HA THR 107 0.316 -11.717 -5.418 892 HB THR 107 HB THR 107 -0.057 -9.562 -3.308 893 HG1 THR 107 HG1 THR 107 0.824 -9.204 -5.770 894 HG21 THR 107 HG21 THR 107 2.271 -11.387 -3.950 895 HG22 THR 107 HG22 THR 107 1.160 -11.574 -2.593 896 HG23 THR 107 HG23 THR 107 2.228 -10.172 -2.671 897 H GLU 108 H GLU 108 -2.242 -10.235 -3.408 898 HA GLU 108 HA GLU 108 -2.702 -12.221 -1.570 899 HB2 GLU 108 HB2 GLU 108 -3.809 -10.010 -1.605 900 HB3 GLU 108 HB3 GLU 108 -4.789 -10.533 -2.967 901 HG2 GLU 108 HG2 GLU 108 -5.198 -12.487 -1.052 902 HG3 GLU 108 HG3 GLU 108 -5.160 -10.978 -0.136 903 H GLN 109 H GLN 109 -4.093 -11.930 -4.808 904 HA GLN 109 HA GLN 109 -5.727 -14.189 -4.765 905 HB2 GLN 109 HB2 GLN 109 -5.790 -12.384 -6.466 906 HB3 GLN 109 HB3 GLN 109 -4.284 -12.990 -7.131 907 HG2 GLN 109 HG2 GLN 109 -5.390 -15.111 -7.662 908 HG3 GLN 109 HG3 GLN 109 -6.903 -14.459 -7.039 909 HE21 GLN 109 HE21 GLN 109 -7.928 -14.657 -8.999 910 HE22 GLN 109 HE22 GLN 109 -7.586 -13.621 -10.339 911 H LYS 110 H LYS 110 -2.342 -13.811 -5.625 912 HA LYS 110 HA LYS 110 -1.859 -16.389 -6.653 913 HB2 LYS 110 HB2 LYS 110 -0.446 -14.117 -6.548 914 HB3 LYS 110 HB3 LYS 110 0.290 -14.942 -5.188 915 HG2 LYS 110 HG2 LYS 110 1.700 -15.709 -6.764 916 HG3 LYS 110 HG3 LYS 110 0.424 -16.896 -7.038 917 HD2 LYS 110 HD2 LYS 110 1.140 -15.958 -9.163 918 HD3 LYS 110 HD3 LYS 110 -0.508 -15.437 -8.810 919 HE2 LYS 110 HE2 LYS 110 0.304 -13.265 -8.067 920 HE3 LYS 110 HE3 LYS 110 1.971 -13.789 -8.279 921 HZ1 LYS 110 HZ1 LYS 110 0.034 -13.709 -10.512 922 HZ2 LYS 110 HZ2 LYS 110 1.720 -13.797 -10.604 923 HZ3 LYS 110 HZ3 LYS 110 0.971 -12.371 -10.092 924 H VAL 111 H VAL 111 -1.370 -15.017 -3.416 925 HA VAL 111 HA VAL 111 -0.277 -17.406 -2.330 926 HB VAL 111 HB VAL 111 0.298 -15.301 -1.286 927 HG11 VAL 111 HG11 VAL 111 -1.736 -14.058 -1.677 928 HG12 VAL 111 HG12 VAL 111 -1.288 -13.997 0.027 929 HG13 VAL 111 HG13 VAL 111 -2.592 -15.059 -0.505 930 HG21 VAL 111 HG21 VAL 111 -0.098 -15.846 1.074 931 HG22 VAL 111 HG22 VAL 111 0.372 -17.261 0.132 932 HG23 VAL 111 HG23 VAL 111 -1.314 -17.026 0.587 933 H LYS 112 H LYS 112 -3.549 -16.038 -2.292 934 HA LYS 112 HA LYS 112 -4.625 -18.077 -0.649 935 HB2 LYS 112 HB2 LYS 112 -6.748 -17.187 -1.126 936 HB3 LYS 112 HB3 LYS 112 -5.665 -15.806 -1.195 937 HG2 LYS 112 HG2 LYS 112 -5.644 -16.003 -3.663 938 HG3 LYS 112 HG3 LYS 112 -6.823 -17.307 -3.534 939 HD2 LYS 112 HD2 LYS 112 -8.318 -15.701 -2.304 940 HD3 LYS 112 HD3 LYS 112 -7.167 -14.427 -2.720 941 HE2 LYS 112 HE2 LYS 112 -9.016 -14.454 -4.302 942 HE3 LYS 112 HE3 LYS 112 -7.513 -14.898 -5.100 943 HZ1 LYS 112 HZ1 LYS 112 -9.345 -16.318 -5.773 944 HZ2 LYS 112 HZ2 LYS 112 -9.593 -16.803 -4.175 945 HZ3 LYS 112 HZ3 LYS 112 -8.162 -17.215 -4.972 946 H ASP 113 H ASP 113 -3.724 -17.976 -3.953 947 HA ASP 113 HA ASP 113 -5.390 -20.150 -4.811 948 HB2 ASP 113 HB2 ASP 113 -4.477 -18.447 -6.398 949 HB3 ASP 113 HB3 ASP 113 -2.875 -19.126 -6.137 950 H ILE 114 H ILE 114 -2.200 -19.867 -3.307 951 HA ILE 114 HA ILE 114 -1.308 -22.431 -4.129 952 HB ILE 114 HB ILE 114 -0.294 -20.222 -2.454 953 HG12 ILE 114 HG12 ILE 114 1.874 -20.922 -3.480 954 HG13 ILE 114 HG13 ILE 114 1.035 -22.259 -4.246 955 HG21 ILE 114 HG21 ILE 114 -0.267 -21.855 -0.712 956 HG22 ILE 114 HG22 ILE 114 1.385 -21.589 -1.271 957 HG23 ILE 114 HG23 ILE 114 0.504 -23.035 -1.768 958 HD11 ILE 114 HD11 ILE 114 0.460 -19.341 -4.704 959 HD12 ILE 114 HD12 ILE 114 -0.364 -20.692 -5.483 960 HD13 ILE 114 HD13 ILE 114 1.349 -20.409 -5.789 961 H GLN 115 H GLN 115 -2.047 -24.245 -3.458 962 HA GLN 115 HA GLN 115 -3.572 -24.617 -1.070 963 HB2 GLN 115 HB2 GLN 115 -3.492 -27.041 -1.707 964 HB3 GLN 115 HB3 GLN 115 -4.110 -25.992 -2.970 965 HG2 GLN 115 HG2 GLN 115 -1.215 -26.652 -2.993 966 HG3 GLN 115 HG3 GLN 115 -2.354 -27.914 -3.461 967 HE21 GLN 115 HE21 GLN 115 -1.597 -27.918 -5.577 968 HE22 GLN 115 HE22 GLN 115 -1.942 -26.645 -6.695 969 H THR 116 H THR 116 -2.723 -24.790 0.930 970 HA THR 116 HA THR 116 -0.057 -25.980 1.184 971 HB THR 116 HB THR 116 0.017 -24.609 3.339 972 HG1 THR 116 HG1 THR 116 -1.565 -22.674 2.219 973 HG21 THR 116 HG21 THR 116 0.785 -22.603 2.092 974 HG22 THR 116 HG22 THR 116 0.064 -23.288 0.631 975 HG23 THR 116 HG23 THR 116 1.405 -24.115 1.421 976 H GLN 117 H GLN 117 0.031 -26.319 3.896 977 HA GLN 117 HA GLN 117 -2.226 -28.084 4.483 978 HB2 GLN 117 HB2 GLN 117 -0.283 -29.374 3.564 979 HB3 GLN 117 HB3 GLN 117 0.664 -28.817 4.935 980 HG2 GLN 117 HG2 GLN 117 -0.101 -31.046 5.360 981 HG3 GLN 117 HG3 GLN 117 -0.932 -29.932 6.443 982 HE21 GLN 117 HE21 GLN 117 -2.625 -31.346 6.779 983 HE22 GLN 117 HE22 GLN 117 -3.816 -31.683 5.572 Start of MODEL 17 1 H GLN 1 H1 GLN 1 45.374 28.305 0.762 2 HA GLN 1 HA GLN 1 45.129 25.873 -0.883 3 HB2 GLN 1 HB2 GLN 1 45.095 26.241 2.120 4 HB3 GLN 1 HB3 GLN 1 44.853 24.721 1.273 5 HG2 GLN 1 HG2 GLN 1 47.134 24.834 0.412 6 HG3 GLN 1 HG3 GLN 1 47.376 26.362 1.255 7 HE21 GLN 1 HE21 GLN 1 47.025 22.933 1.592 8 HE22 GLN 1 HE22 GLN 1 47.553 22.833 3.234 9 H GLU 2 H GLU 2 43.225 26.081 -1.840 10 HA GLU 2 HA GLU 2 41.050 27.515 -0.719 11 HB2 GLU 2 HB2 GLU 2 41.377 27.356 -3.139 12 HB3 GLU 2 HB3 GLU 2 41.131 25.618 -3.069 13 HG2 GLU 2 HG2 GLU 2 39.143 26.757 -3.875 14 HG3 GLU 2 HG3 GLU 2 38.835 25.956 -2.336 15 H HIS 3 H HIS 3 39.605 26.857 0.654 16 HA HIS 3 HA HIS 3 38.814 24.068 0.721 17 HB2 HIS 3 HB2 HIS 3 38.821 24.101 3.251 18 HB3 HIS 3 HB3 HIS 3 40.409 24.067 2.501 19 HD1 HIS 3 HD1 HIS 3 41.788 26.359 2.596 20 HD2 HIS 3 HD2 HIS 3 38.351 26.236 4.932 21 HE1 HIS 3 HE1 HIS 3 42.019 28.241 4.232 22 HE2 HIS 3 HE2 HIS 3 39.931 28.157 5.638 23 H LYS 4 H LYS 4 37.206 25.232 -0.504 24 HA LYS 4 HA LYS 4 35.314 26.879 0.909 25 HB2 LYS 4 HB2 LYS 4 34.068 26.796 -1.242 26 HB3 LYS 4 HB3 LYS 4 35.727 27.354 -1.407 27 HG2 LYS 4 HG2 LYS 4 36.411 25.247 -2.301 28 HG3 LYS 4 HG3 LYS 4 34.833 24.539 -1.957 29 HD2 LYS 4 HD2 LYS 4 34.995 25.068 -4.315 30 HD3 LYS 4 HD3 LYS 4 33.808 26.117 -3.541 31 HE2 LYS 4 HE2 LYS 4 36.631 27.059 -3.827 32 HE3 LYS 4 HE3 LYS 4 35.566 27.101 -5.227 33 HZ1 LYS 4 HZ1 LYS 4 35.056 28.450 -2.620 34 HZ2 LYS 4 HZ2 LYS 4 34.018 28.452 -3.950 35 HZ3 LYS 4 HZ3 LYS 4 35.527 29.197 -4.064 36 HA PRO 5 HA PRO 5 32.367 23.803 2.200 37 HB2 PRO 5 HB2 PRO 5 29.991 24.873 1.270 38 HB3 PRO 5 HB3 PRO 5 30.807 25.385 2.750 39 HG2 PRO 5 HG2 PRO 5 30.857 26.621 0.033 40 HG3 PRO 5 HG3 PRO 5 30.755 27.402 1.619 41 HD2 PRO 5 HD2 PRO 5 33.046 27.324 0.251 42 HD3 PRO 5 HD3 PRO 5 33.020 27.177 2.017 43 H LYS 6 H LYS 6 29.882 23.224 0.865 44 HA LYS 6 HA LYS 6 30.556 22.222 -1.761 45 HB2 LYS 6 HB2 LYS 6 31.567 20.631 -0.048 46 HB3 LYS 6 HB3 LYS 6 29.922 20.200 0.383 47 HG2 LYS 6 HG2 LYS 6 29.509 19.362 -1.833 48 HG3 LYS 6 HG3 LYS 6 31.084 19.934 -2.380 49 HD2 LYS 6 HD2 LYS 6 30.736 17.910 -0.177 50 HD3 LYS 6 HD3 LYS 6 30.922 17.460 -1.871 51 HE2 LYS 6 HE2 LYS 6 33.094 17.298 -1.050 52 HE3 LYS 6 HE3 LYS 6 33.058 18.905 -1.773 53 HZ1 LYS 6 HZ1 LYS 6 32.595 18.436 1.119 54 HZ2 LYS 6 HZ2 LYS 6 32.928 19.906 0.353 55 HZ3 LYS 6 HZ3 LYS 6 34.118 18.732 0.470 56 H LYS 7 H LYS 7 28.686 20.923 -2.669 57 HA LYS 7 HA LYS 7 26.221 22.266 -2.291 58 HB2 LYS 7 HB2 LYS 7 27.029 21.169 -4.409 59 HB3 LYS 7 HB3 LYS 7 26.702 19.613 -3.669 60 HG2 LYS 7 HG2 LYS 7 24.311 20.298 -3.455 61 HG3 LYS 7 HG3 LYS 7 24.707 21.756 -4.366 62 HD2 LYS 7 HD2 LYS 7 25.016 18.912 -5.335 63 HD3 LYS 7 HD3 LYS 7 23.762 20.051 -5.829 64 HE2 LYS 7 HE2 LYS 7 25.464 21.518 -6.790 65 HE3 LYS 7 HE3 LYS 7 26.729 20.407 -6.268 66 HZ1 LYS 7 HZ1 LYS 7 25.671 18.700 -7.679 67 HZ2 LYS 7 HZ2 LYS 7 26.270 20.015 -8.549 68 HZ3 LYS 7 HZ3 LYS 7 24.607 19.876 -8.271 69 H ASP 8 H ASP 8 24.143 21.076 -1.792 70 HA ASP 8 HA ASP 8 24.004 20.192 0.805 71 HB2 ASP 8 HB2 ASP 8 22.138 19.464 -1.463 72 HB3 ASP 8 HB3 ASP 8 21.778 19.240 0.243 73 H ASP 9 H ASP 9 25.320 18.624 1.501 74 HA ASP 9 HA ASP 9 25.862 16.177 0.228 75 HB2 ASP 9 HB2 ASP 9 26.673 15.362 2.370 76 HB3 ASP 9 HB3 ASP 9 27.186 17.027 2.143 77 H PHE 10 H PHE 10 23.214 17.191 2.225 78 HA PHE 10 HA PHE 10 21.886 14.650 1.618 79 HB2 PHE 10 HB2 PHE 10 22.521 14.696 4.013 80 HB3 PHE 10 HB3 PHE 10 21.634 16.201 4.212 81 HD1 PHE 10 HD1 PHE 10 21.284 12.598 3.484 82 HD2 PHE 10 HD2 PHE 10 19.287 16.202 4.556 83 HE1 PHE 10 HE1 PHE 10 19.249 11.314 4.004 84 HE2 PHE 10 HE2 PHE 10 17.252 14.923 5.075 85 HZ PHE 10 HZ PHE 10 17.231 12.478 4.800 86 H ARG 11 H ARG 11 21.030 15.781 -0.231 87 HA ARG 11 HA ARG 11 19.537 18.018 -0.323 88 HB2 ARG 11 HB2 ARG 11 18.231 16.999 -2.137 89 HB3 ARG 11 HB3 ARG 11 19.941 16.630 -2.283 90 HG2 ARG 11 HG2 ARG 11 19.554 14.394 -1.402 91 HG3 ARG 11 HG3 ARG 11 17.841 14.765 -1.188 92 HD2 ARG 11 HD2 ARG 11 18.063 13.525 -3.213 93 HD3 ARG 11 HD3 ARG 11 17.714 15.192 -3.649 94 HE ARG 11 HE ARG 11 20.395 13.980 -3.763 95 HH11 ARG 11 HH11 ARG 11 18.002 16.243 -5.006 96 HH12 ARG 11 HH12 ARG 11 18.944 16.671 -6.391 97 HH21 ARG 11 HH21 ARG 11 21.641 14.563 -5.625 98 HH22 ARG 11 HH22 ARG 11 20.998 15.714 -6.747 99 H ASN 12 H ASN 12 17.818 18.807 0.632 100 HA ASN 12 HA ASN 12 15.774 17.007 1.701 101 HB2 ASN 12 HB2 ASN 12 17.463 17.622 3.493 102 HB3 ASN 12 HB3 ASN 12 16.950 19.291 3.305 103 HD21 ASN 12 HD21 ASN 12 16.823 17.506 5.612 104 HD22 ASN 12 HD22 ASN 12 15.161 17.449 6.082 105 H GLU 13 H GLU 13 13.831 17.675 1.112 106 HA GLU 13 HA GLU 13 13.494 20.442 0.200 107 HB2 GLU 13 HB2 GLU 13 12.013 17.910 -0.505 108 HB3 GLU 13 HB3 GLU 13 11.457 19.511 -0.969 109 HG2 GLU 13 HG2 GLU 13 14.125 18.344 -1.733 110 HG3 GLU 13 HG3 GLU 13 12.686 18.321 -2.754 111 H PHE 14 H PHE 14 11.325 21.413 0.611 112 HA PHE 14 HA PHE 14 10.606 21.440 3.256 113 HB2 PHE 14 HB2 PHE 14 8.943 22.169 0.844 114 HB3 PHE 14 HB3 PHE 14 8.492 22.549 2.500 115 HD1 PHE 14 HD2 PHE 14 9.737 24.213 3.778 116 HD2 PHE 14 HD1 PHE 14 10.699 23.364 -0.278 117 HE1 PHE 14 HE2 PHE 14 11.056 26.286 3.661 118 HE2 PHE 14 HE1 PHE 14 12.021 25.435 -0.403 119 HZ PHE 14 HZ PHE 14 12.200 26.900 1.568 120 H ASP 15 H ASP 15 9.260 20.401 4.544 121 HA ASP 15 HA ASP 15 8.328 17.793 3.847 122 HB2 ASP 15 HB2 ASP 15 9.162 18.306 6.086 123 HB3 ASP 15 HB3 ASP 15 7.881 19.485 6.315 124 H HIS 16 H HIS 16 6.961 20.932 3.819 125 HA HIS 16 HA HIS 16 4.220 20.018 3.886 126 HB2 HIS 16 HB2 HIS 16 5.455 22.734 3.440 127 HB3 HIS 16 HB3 HIS 16 3.727 22.446 3.269 128 HD1 HIS 16 HD1 HIS 16 2.365 22.591 5.361 129 HD2 HIS 16 HD2 HIS 16 6.425 22.198 6.150 130 HE1 HIS 16 HE1 HIS 16 2.600 22.868 7.845 131 HE2 HIS 16 HE2 HIS 16 5.083 22.843 8.257 132 H LEU 17 H LEU 17 3.755 18.733 2.207 133 HA LEU 17 HA LEU 17 3.182 19.867 -0.271 134 HB2 LEU 17 HB2 LEU 17 5.606 19.739 -0.602 135 HB3 LEU 17 HB3 LEU 17 5.586 18.035 -0.223 136 HG LEU 17 HG LEU 17 4.254 17.610 -2.261 137 HD11 LEU 17 HD11 LEU 17 3.098 19.739 -2.401 138 HD12 LEU 17 HD12 LEU 17 3.957 19.395 -3.903 139 HD13 LEU 17 HD13 LEU 17 4.620 20.559 -2.755 140 HD21 LEU 17 HD21 LEU 17 6.785 19.182 -2.726 141 HD22 LEU 17 HD22 LEU 17 6.024 18.096 -3.888 142 HD23 LEU 17 HD23 LEU 17 6.681 17.455 -2.384 143 H LEU 18 H LEU 18 1.358 18.859 -0.676 144 HA LEU 18 HA LEU 18 0.489 16.531 0.618 145 HB2 LEU 18 HB2 LEU 18 -0.575 17.797 -1.905 146 HB3 LEU 18 HB3 LEU 18 -1.428 16.635 -0.907 147 HG LEU 18 HG LEU 18 -0.560 19.356 0.062 148 HD11 LEU 18 HD11 LEU 18 -2.167 19.683 -1.679 149 HD12 LEU 18 HD12 LEU 18 -2.971 19.929 -0.125 150 HD13 LEU 18 HD13 LEU 18 -3.206 18.425 -1.017 151 HD21 LEU 18 HD21 LEU 18 -2.441 17.303 1.224 152 HD22 LEU 18 HD22 LEU 18 -2.130 18.906 1.886 153 HD23 LEU 18 HD23 LEU 18 -0.837 17.711 1.835 154 H ILE 19 H ILE 19 1.493 17.012 -2.753 155 HA ILE 19 HA ILE 19 1.211 14.362 -3.570 156 HB ILE 19 HB ILE 19 2.921 16.619 -4.607 157 HG12 ILE 19 HG12 ILE 19 0.494 16.726 -4.953 158 HG13 ILE 19 HG13 ILE 19 1.356 16.542 -6.478 159 HG21 ILE 19 HG21 ILE 19 3.497 15.286 -6.551 160 HG22 ILE 19 HG22 ILE 19 2.665 13.896 -5.864 161 HG23 ILE 19 HG23 ILE 19 4.126 14.519 -5.088 162 HD11 ILE 19 HD11 ILE 19 -0.294 14.523 -4.998 163 HD12 ILE 19 HD12 ILE 19 0.885 14.038 -6.211 164 HD13 ILE 19 HD13 ILE 19 -0.450 15.084 -6.664 165 H GLU 20 H GLU 20 3.829 15.941 -1.869 166 HA GLU 20 HA GLU 20 5.862 14.040 -2.191 167 HB2 GLU 20 HB2 GLU 20 5.718 16.395 -0.975 168 HB3 GLU 20 HB3 GLU 20 5.511 15.386 0.443 169 HG2 GLU 20 HG2 GLU 20 7.868 15.526 -1.416 170 HG3 GLU 20 HG3 GLU 20 7.787 15.947 0.294 171 H GLN 21 H GLN 21 3.424 14.379 0.397 172 HA GLN 21 HA GLN 21 4.157 12.077 1.826 173 HB2 GLN 21 HB2 GLN 21 1.465 13.431 1.652 174 HB3 GLN 21 HB3 GLN 21 1.865 12.169 2.808 175 HG2 GLN 21 HG2 GLN 21 3.699 13.655 3.651 176 HG3 GLN 21 HG3 GLN 21 3.044 14.928 2.623 177 HE21 GLN 21 HE21 GLN 21 1.033 15.812 3.120 178 HE22 GLN 21 HE22 GLN 21 0.296 15.617 4.672 179 H ALA 22 H ALA 22 1.976 12.478 -0.916 180 HA ALA 22 HA ALA 22 0.904 9.832 -0.763 181 HB1 ALA 22 HB1 ALA 22 -0.329 11.644 -1.849 182 HB2 ALA 22 HB2 ALA 22 -0.036 10.322 -2.978 183 HB3 ALA 22 HB3 ALA 22 0.938 11.789 -3.067 184 H ASN 23 H ASN 23 3.443 11.439 -2.454 185 HA ASN 23 HA ASN 23 4.254 9.326 -4.179 186 HB2 ASN 23 HB2 ASN 23 5.563 11.843 -3.261 187 HB3 ASN 23 HB3 ASN 23 6.572 10.608 -4.005 188 HD21 ASN 23 HD21 ASN 23 3.231 11.149 -4.864 189 HD22 ASN 23 HD22 ASN 23 3.546 11.769 -6.446 190 H HIS 24 H HIS 24 5.094 10.159 -0.889 191 HA HIS 24 HA HIS 24 7.200 8.282 -0.691 192 HB2 HIS 24 HB2 HIS 24 5.888 10.134 1.091 193 HB3 HIS 24 HB3 HIS 24 6.139 8.582 1.882 194 HD1 HIS 24 HD1 HIS 24 7.871 11.687 1.020 195 HD2 HIS 24 HD2 HIS 24 8.944 7.738 1.816 196 HE1 HIS 24 HE1 HIS 24 10.316 11.738 1.550 197 HE2 HIS 24 HE2 HIS 24 10.977 9.332 1.847 198 H ALA 25 H ALA 25 3.686 8.046 0.267 199 HA ALA 25 HA ALA 25 3.840 5.481 1.231 200 HB1 ALA 25 HB1 ALA 25 1.944 7.010 1.536 201 HB2 ALA 25 HB2 ALA 25 1.435 5.436 0.921 202 HB3 ALA 25 HB3 ALA 25 1.533 6.819 -0.169 203 H ILE 26 H ILE 26 3.140 6.537 -2.131 204 HA ILE 26 HA ILE 26 2.683 3.905 -3.054 205 HB ILE 26 HB ILE 26 3.066 4.767 -5.348 206 HG12 ILE 26 HG12 ILE 26 3.677 7.391 -3.975 207 HG13 ILE 26 HG13 ILE 26 4.866 6.381 -4.785 208 HG21 ILE 26 HG21 ILE 26 1.202 6.372 -5.355 209 HG22 ILE 26 HG22 ILE 26 1.327 6.503 -3.602 210 HG23 ILE 26 HG23 ILE 26 0.873 4.967 -4.341 211 HD11 ILE 26 HD11 ILE 26 2.510 7.728 -6.091 212 HD12 ILE 26 HD12 ILE 26 3.699 6.714 -6.908 213 HD13 ILE 26 HD13 ILE 26 4.193 8.245 -6.187 214 H GLU 27 H GLU 27 5.600 5.811 -2.732 215 HA GLU 27 HA GLU 27 7.401 4.153 -4.086 216 HB2 GLU 27 HB2 GLU 27 8.008 6.392 -3.343 217 HB3 GLU 27 HB3 GLU 27 7.792 5.928 -1.667 218 HG2 GLU 27 HG2 GLU 27 10.133 6.066 -2.185 219 HG3 GLU 27 HG3 GLU 27 9.697 4.391 -1.864 220 H LYS 28 H LYS 28 6.454 4.180 -0.620 221 HA LYS 28 HA LYS 28 8.066 1.955 0.048 222 HB2 LYS 28 HB2 LYS 28 6.971 1.930 2.184 223 HB3 LYS 28 HB3 LYS 28 7.100 3.615 1.707 224 HG2 LYS 28 HG2 LYS 28 4.790 3.688 1.109 225 HG3 LYS 28 HG3 LYS 28 4.619 1.958 1.387 226 HD2 LYS 28 HD2 LYS 28 3.701 3.211 3.263 227 HD3 LYS 28 HD3 LYS 28 5.117 2.299 3.772 228 HE2 LYS 28 HE2 LYS 28 5.443 5.136 2.894 229 HE3 LYS 28 HE3 LYS 28 4.785 4.806 4.493 230 HZ1 LYS 28 HZ1 LYS 28 7.385 3.765 3.497 231 HZ2 LYS 28 HZ2 LYS 28 6.762 3.588 5.056 232 HZ3 LYS 28 HZ3 LYS 28 7.206 5.117 4.490 233 H GLY 29 H GLY 29 4.636 2.246 -0.912 234 HA2 GLY 29 HA2 GLY 29 3.891 -0.400 -0.601 235 HA3 GLY 29 HA3 GLY 29 3.188 0.725 -1.749 236 H GLU 30 H GLU 30 5.358 1.185 -3.410 237 HA GLU 30 HA GLU 30 5.211 -0.952 -5.196 238 HB2 GLU 30 HB2 GLU 30 7.150 1.329 -4.971 239 HB3 GLU 30 HB3 GLU 30 7.316 0.108 -6.224 240 HG2 GLU 30 HG2 GLU 30 5.017 0.647 -6.964 241 HG3 GLU 30 HG3 GLU 30 5.003 1.978 -5.803 242 H HIS 31 H HIS 31 7.796 -0.110 -2.915 243 HA HIS 31 HA HIS 31 9.437 -2.267 -3.743 244 HB2 HIS 31 HB2 HIS 31 9.505 -0.568 -1.255 245 HB3 HIS 31 HB3 HIS 31 10.691 -1.826 -1.595 246 HD1 HIS 31 HD1 HIS 31 12.726 -1.008 -2.781 247 HD2 HIS 31 HD2 HIS 31 9.413 1.369 -3.532 248 HE1 HIS 31 HE1 HIS 31 13.570 0.904 -4.177 249 HE2 HIS 31 HE2 HIS 31 11.593 2.469 -4.329 250 H GLN 32 H GLN 32 6.908 -1.969 -1.296 251 HA GLN 32 HA GLN 32 7.380 -4.441 0.006 252 HB2 GLN 32 HB2 GLN 32 4.909 -2.739 -0.335 253 HB3 GLN 32 HB3 GLN 32 4.971 -4.155 0.699 254 HG2 GLN 32 HG2 GLN 32 6.796 -1.799 1.012 255 HG3 GLN 32 HG3 GLN 32 5.236 -1.921 1.817 256 HE21 GLN 32 HE21 GLN 32 5.475 -4.811 2.229 257 HE22 GLN 32 HE22 GLN 32 6.613 -5.012 3.505 258 H LEU 33 H LEU 33 5.268 -3.414 -2.641 259 HA LEU 33 HA LEU 33 4.009 -5.883 -3.057 260 HB2 LEU 33 HB2 LEU 33 3.123 -3.809 -3.964 261 HB3 LEU 33 HB3 LEU 33 4.527 -3.617 -4.986 262 HG LEU 33 HG LEU 33 2.250 -4.458 -5.979 263 HD11 LEU 33 HD11 LEU 33 3.449 -5.675 -7.727 264 HD12 LEU 33 HD12 LEU 33 4.879 -5.738 -6.694 265 HD13 LEU 33 HD13 LEU 33 4.275 -4.184 -7.274 266 HD21 LEU 33 HD21 LEU 33 3.453 -7.098 -5.116 267 HD22 LEU 33 HD22 LEU 33 1.976 -6.853 -6.048 268 HD23 LEU 33 HD23 LEU 33 2.048 -6.347 -4.360 269 H LEU 34 H LEU 34 6.920 -4.487 -4.741 270 HA LEU 34 HA LEU 34 7.294 -6.706 -6.391 271 HB2 LEU 34 HB2 LEU 34 9.305 -4.714 -5.344 272 HB3 LEU 34 HB3 LEU 34 9.502 -5.738 -6.754 273 HG LEU 34 HG LEU 34 7.370 -3.616 -6.525 274 HD11 LEU 34 HD11 LEU 34 8.763 -2.224 -7.929 275 HD12 LEU 34 HD12 LEU 34 10.040 -3.439 -7.907 276 HD13 LEU 34 HD13 LEU 34 9.591 -2.600 -6.421 277 HD21 LEU 34 HD21 LEU 34 8.446 -5.143 -8.895 278 HD22 LEU 34 HD22 LEU 34 7.218 -3.877 -8.945 279 HD23 LEU 34 HD23 LEU 34 6.881 -5.398 -8.119 280 H TYR 35 H TYR 35 8.142 -6.004 -3.114 281 HA TYR 35 HA TYR 35 10.118 -8.022 -2.786 282 HB2 TYR 35 HB2 TYR 35 9.987 -6.243 -1.137 283 HB3 TYR 35 HB3 TYR 35 8.339 -6.710 -0.716 284 HD1 TYR 35 HD1 TYR 35 11.859 -7.864 -0.642 285 HD2 TYR 35 HD2 TYR 35 7.930 -8.391 0.898 286 HE1 TYR 35 HE1 TYR 35 12.734 -9.429 1.037 287 HE2 TYR 35 HE2 TYR 35 8.791 -9.952 2.583 288 HH TYR 35 HH TYR 35 10.798 -11.489 2.796 289 H LEU 36 H LEU 36 6.632 -7.911 -1.926 290 HA LEU 36 HA LEU 36 6.466 -10.539 -1.019 291 HB2 LEU 36 HB2 LEU 36 4.346 -8.749 -2.192 292 HB3 LEU 36 HB3 LEU 36 4.037 -10.248 -1.341 293 HG LEU 36 HG LEU 36 5.347 -7.820 -0.118 294 HD11 LEU 36 HD11 LEU 36 3.232 -7.547 1.086 295 HD12 LEU 36 HD12 LEU 36 2.533 -8.862 0.142 296 HD13 LEU 36 HD13 LEU 36 3.028 -7.368 -0.655 297 HD21 LEU 36 HD21 LEU 36 6.043 -9.906 0.935 298 HD22 LEU 36 HD22 LEU 36 4.358 -10.395 1.112 299 HD23 LEU 36 HD23 LEU 36 4.969 -9.001 2.004 300 H GLN 37 H GLN 37 6.237 -9.174 -4.250 301 HA GLN 37 HA GLN 37 5.137 -11.421 -5.505 302 HB2 GLN 37 HB2 GLN 37 6.966 -9.280 -6.577 303 HB3 GLN 37 HB3 GLN 37 6.300 -10.552 -7.592 304 HG2 GLN 37 HG2 GLN 37 4.023 -9.811 -6.884 305 HG3 GLN 37 HG3 GLN 37 4.788 -8.443 -6.080 306 HE21 GLN 37 HE21 GLN 37 2.886 -8.495 -8.283 307 HE22 GLN 37 HE22 GLN 37 3.645 -7.662 -9.595 308 H HIS 38 H HIS 38 8.421 -10.646 -4.547 309 HA HIS 38 HA HIS 38 9.660 -12.830 -5.869 310 HB2 HIS 38 HB2 HIS 38 10.513 -10.943 -3.716 311 HB3 HIS 38 HB3 HIS 38 11.471 -12.390 -4.027 312 HD1 HIS 38 HD1 HIS 38 10.389 -9.173 -5.614 313 HD2 HIS 38 HD2 HIS 38 12.923 -12.375 -6.385 314 HE1 HIS 38 HE1 HIS 38 11.710 -8.524 -7.622 315 HE2 HIS 38 HE2 HIS 38 13.028 -10.569 -8.221 316 H GLN 39 H GLN 39 8.272 -12.309 -2.631 317 HA GLN 39 HA GLN 39 9.046 -14.743 -1.488 318 HB2 GLN 39 HB2 GLN 39 6.670 -12.943 -0.974 319 HB3 GLN 39 HB3 GLN 39 7.089 -14.317 0.032 320 HG2 GLN 39 HG2 GLN 39 8.886 -11.954 -0.456 321 HG3 GLN 39 HG3 GLN 39 7.814 -12.125 0.932 322 HE21 GLN 39 HE21 GLN 39 8.294 -15.014 1.134 323 HE22 GLN 39 HE22 GLN 39 9.876 -15.179 1.804 324 H LEU 40 H LEU 40 6.191 -13.691 -3.282 325 HA LEU 40 HA LEU 40 4.615 -15.890 -3.315 326 HB2 LEU 40 HB2 LEU 40 4.218 -13.633 -4.361 327 HB3 LEU 40 HB3 LEU 40 5.234 -14.123 -5.693 328 HG LEU 40 HG LEU 40 2.777 -14.192 -6.139 329 HD11 LEU 40 HD11 LEU 40 4.265 -15.456 -7.539 330 HD12 LEU 40 HD12 LEU 40 2.772 -16.357 -7.273 331 HD13 LEU 40 HD13 LEU 40 4.239 -16.801 -6.400 332 HD21 LEU 40 HD21 LEU 40 2.867 -16.409 -4.114 333 HD22 LEU 40 HD22 LEU 40 1.556 -16.184 -5.264 334 HD23 LEU 40 HD23 LEU 40 1.907 -14.927 -4.075 335 H ASP 41 H ASP 41 7.325 -15.237 -5.621 336 HA ASP 41 HA ASP 41 7.117 -17.591 -7.071 337 HB2 ASP 41 HB2 ASP 41 8.548 -15.747 -7.781 338 HB3 ASP 41 HB3 ASP 41 9.597 -15.996 -6.388 339 H GLU 42 H GLU 42 8.899 -16.923 -4.089 340 HA GLU 42 HA GLU 42 10.167 -19.432 -3.858 341 HB2 GLU 42 HB2 GLU 42 10.742 -17.307 -2.632 342 HB3 GLU 42 HB3 GLU 42 9.318 -17.563 -1.638 343 HG2 GLU 42 HG2 GLU 42 11.230 -18.302 -0.443 344 HG3 GLU 42 HG3 GLU 42 10.283 -19.716 -0.907 345 H LEU 43 H LEU 43 7.240 -18.123 -2.538 346 HA LEU 43 HA LEU 43 6.353 -20.269 -0.991 347 HB2 LEU 43 HB2 LEU 43 5.304 -18.047 -0.961 348 HB3 LEU 43 HB3 LEU 43 4.589 -18.378 -2.529 349 HG LEU 43 HG LEU 43 3.392 -20.321 -1.470 350 HD11 LEU 43 HD11 LEU 43 3.155 -20.332 0.945 351 HD12 LEU 43 HD12 LEU 43 4.373 -19.060 1.066 352 HD13 LEU 43 HD13 LEU 43 4.814 -20.648 0.441 353 HD21 LEU 43 HD21 LEU 43 2.829 -17.571 -0.387 354 HD22 LEU 43 HD22 LEU 43 1.692 -18.917 -0.402 355 HD23 LEU 43 HD23 LEU 43 2.258 -18.224 -1.922 356 H ASN 44 H ASN 44 5.818 -19.702 -4.448 357 HA ASN 44 HA ASN 44 4.021 -21.797 -4.926 358 HB2 ASN 44 HB2 ASN 44 6.127 -20.634 -6.744 359 HB3 ASN 44 HB3 ASN 44 4.867 -21.732 -7.279 360 HD21 ASN 44 HD21 ASN 44 5.359 -19.133 -8.241 361 HD22 ASN 44 HD22 ASN 44 3.964 -18.179 -7.888 362 H GLU 45 H GLU 45 7.502 -21.790 -4.686 363 HA GLU 45 HA GLU 45 7.813 -24.510 -5.530 364 HB2 GLU 45 HB2 GLU 45 9.716 -22.630 -4.141 365 HB3 GLU 45 HB3 GLU 45 10.158 -24.209 -4.775 366 HG2 GLU 45 HG2 GLU 45 9.107 -21.903 -6.393 367 HG3 GLU 45 HG3 GLU 45 10.794 -22.403 -6.282 368 H ASN 46 H ASN 46 7.792 -22.873 -2.376 369 HA ASN 46 HA ASN 46 8.535 -25.283 -0.979 370 HB2 ASN 46 HB2 ASN 46 7.720 -22.540 -0.033 371 HB3 ASN 46 HB3 ASN 46 8.087 -23.863 1.067 372 HD21 ASN 46 HD21 ASN 46 9.381 -21.660 -1.298 373 HD22 ASN 46 HD22 ASN 46 11.042 -21.896 -0.896 374 H LYS 47 H LYS 47 5.675 -23.532 -1.669 375 HA LYS 47 HA LYS 47 3.377 -23.881 -1.220 376 HB2 LYS 47 HB2 LYS 47 4.442 -26.714 -1.038 377 HB3 LYS 47 HB3 LYS 47 2.734 -26.339 -0.879 378 HG2 LYS 47 HG2 LYS 47 4.411 -25.703 -3.309 379 HG3 LYS 47 HG3 LYS 47 3.376 -27.122 -3.140 380 HD2 LYS 47 HD2 LYS 47 1.481 -25.454 -2.678 381 HD3 LYS 47 HD3 LYS 47 2.579 -24.225 -3.306 382 HE2 LYS 47 HE2 LYS 47 1.680 -26.698 -4.790 383 HE3 LYS 47 HE3 LYS 47 1.037 -25.077 -5.025 384 HZ1 LYS 47 HZ1 LYS 47 3.870 -25.849 -5.483 385 HZ2 LYS 47 HZ2 LYS 47 3.181 -24.346 -5.812 386 HZ3 LYS 47 HZ3 LYS 47 2.700 -25.698 -6.690 387 H SER 48 H SER 48 5.369 -23.387 0.954 388 HA SER 48 HA SER 48 4.682 -24.855 3.297 389 HB2 SER 48 HB2 SER 48 6.847 -23.889 3.218 390 HB3 SER 48 HB3 SER 48 6.207 -22.289 2.855 391 HG SER 48 HG SER 48 6.259 -23.701 5.277 392 H LYS 49 H LYS 49 2.996 -24.666 4.554 393 HA LYS 49 HA LYS 49 1.016 -22.696 4.252 394 HB2 LYS 49 HB2 LYS 49 0.008 -23.575 6.321 395 HB3 LYS 49 HB3 LYS 49 0.453 -24.868 5.225 396 HG2 LYS 49 HG2 LYS 49 2.333 -24.075 7.398 397 HG3 LYS 49 HG3 LYS 49 0.926 -25.065 7.782 398 HD2 LYS 49 HD2 LYS 49 1.645 -26.755 6.202 399 HD3 LYS 49 HD3 LYS 49 2.993 -25.743 5.687 400 HE2 LYS 49 HE2 LYS 49 3.949 -25.856 7.904 401 HE3 LYS 49 HE3 LYS 49 2.607 -26.863 8.450 402 HZ1 LYS 49 HZ1 LYS 49 3.300 -28.528 6.804 403 HZ2 LYS 49 HZ2 LYS 49 4.509 -28.218 7.939 404 HZ3 LYS 49 HZ3 LYS 49 4.622 -27.563 6.386 405 H GLU 50 H GLU 50 3.725 -22.973 6.527 406 HA GLU 50 HA GLU 50 3.055 -20.750 8.094 407 HB2 GLU 50 HB2 GLU 50 5.778 -21.913 7.519 408 HB3 GLU 50 HB3 GLU 50 5.391 -20.817 8.838 409 HG2 GLU 50 HG2 GLU 50 4.040 -22.447 9.907 410 HG3 GLU 50 HG3 GLU 50 4.106 -23.511 8.504 411 H LEU 51 H LEU 51 5.223 -21.045 5.279 412 HA LEU 51 HA LEU 51 5.966 -18.349 5.226 413 HB2 LEU 51 HB2 LEU 51 7.086 -20.160 3.951 414 HB3 LEU 51 HB3 LEU 51 5.691 -20.250 2.895 415 HG LEU 51 HG LEU 51 6.133 -17.915 2.171 416 HD11 LEU 51 HD11 LEU 51 8.645 -18.235 3.805 417 HD12 LEU 51 HD12 LEU 51 7.322 -17.114 4.128 418 HD13 LEU 51 HD13 LEU 51 8.312 -16.917 2.682 419 HD21 LEU 51 HD21 LEU 51 8.059 -18.454 0.775 420 HD22 LEU 51 HD22 LEU 51 6.936 -19.812 0.867 421 HD23 LEU 51 HD23 LEU 51 8.429 -19.836 1.807 422 H GLN 52 H GLN 52 3.269 -20.075 3.726 423 HA GLN 52 HA GLN 52 2.184 -17.985 2.218 424 HB2 GLN 52 HB2 GLN 52 1.457 -20.388 2.171 425 HB3 GLN 52 HB3 GLN 52 0.622 -20.111 3.692 426 HG2 GLN 52 HG2 GLN 52 -0.687 -18.309 2.530 427 HG3 GLN 52 HG3 GLN 52 0.026 -18.873 1.020 428 HE21 GLN 52 HE21 GLN 52 -1.867 -19.539 0.121 429 HE22 GLN 52 HE22 GLN 52 -2.766 -20.898 0.706 430 H GLU 53 H GLU 53 1.674 -18.912 5.592 431 HA GLU 53 HA GLU 53 -0.303 -17.083 6.262 432 HB2 GLU 53 HB2 GLU 53 1.671 -18.753 7.671 433 HB3 GLU 53 HB3 GLU 53 1.071 -17.368 8.570 434 HG2 GLU 53 HG2 GLU 53 -0.725 -19.378 7.253 435 HG3 GLU 53 HG3 GLU 53 -0.157 -19.517 8.918 436 H LYS 54 H LYS 54 3.210 -16.819 6.566 437 HA LYS 54 HA LYS 54 3.174 -14.253 7.803 438 HB2 LYS 54 HB2 LYS 54 5.389 -15.548 6.199 439 HB3 LYS 54 HB3 LYS 54 5.576 -14.139 7.230 440 HG2 LYS 54 HG2 LYS 54 4.861 -16.929 8.107 441 HG3 LYS 54 HG3 LYS 54 6.396 -16.100 8.361 442 HD2 LYS 54 HD2 LYS 54 5.166 -14.381 9.688 443 HD3 LYS 54 HD3 LYS 54 3.714 -15.370 9.533 444 HE2 LYS 54 HE2 LYS 54 4.685 -15.874 11.645 445 HE3 LYS 54 HE3 LYS 54 4.991 -17.246 10.583 446 HZ1 LYS 54 HZ1 LYS 54 7.235 -16.324 10.186 447 HZ2 LYS 54 HZ2 LYS 54 6.969 -16.738 11.801 448 HZ3 LYS 54 HZ3 LYS 54 6.916 -15.118 11.327 449 H ILE 55 H ILE 55 3.514 -15.289 4.498 450 HA ILE 55 HA ILE 55 3.997 -12.766 3.340 451 HB ILE 55 HB ILE 55 2.617 -15.167 2.121 452 HG12 ILE 55 HG12 ILE 55 5.441 -14.119 1.822 453 HG13 ILE 55 HG13 ILE 55 4.972 -15.492 2.817 454 HG21 ILE 55 HG21 ILE 55 3.067 -14.115 -0.062 455 HG22 ILE 55 HG22 ILE 55 3.657 -12.673 0.763 456 HG23 ILE 55 HG23 ILE 55 1.965 -13.147 0.917 457 HD11 ILE 55 HD11 ILE 55 4.253 -16.693 0.829 458 HD12 ILE 55 HD12 ILE 55 5.940 -16.196 0.702 459 HD13 ILE 55 HD13 ILE 55 4.690 -15.310 -0.173 460 H ILE 56 H ILE 56 0.959 -14.420 4.097 461 HA ILE 56 HA ILE 56 -0.714 -12.359 3.049 462 HB ILE 56 HB ILE 56 -1.324 -14.582 5.020 463 HG12 ILE 56 HG12 ILE 56 -1.942 -14.317 2.068 464 HG13 ILE 56 HG13 ILE 56 -0.672 -15.322 2.754 465 HG21 ILE 56 HG21 ILE 56 -2.903 -12.733 5.301 466 HG22 ILE 56 HG22 ILE 56 -3.687 -14.142 4.587 467 HG23 ILE 56 HG23 ILE 56 -3.254 -12.767 3.572 468 HD11 ILE 56 HD11 ILE 56 -2.619 -16.643 2.157 469 HD12 ILE 56 HD12 ILE 56 -3.629 -15.655 3.214 470 HD13 ILE 56 HD13 ILE 56 -2.358 -16.666 3.902 471 H ARG 57 H ARG 57 0.706 -13.031 6.208 472 HA ARG 57 HA ARG 57 -0.886 -11.201 7.686 473 HB2 ARG 57 HB2 ARG 57 1.875 -12.267 8.312 474 HB3 ARG 57 HB3 ARG 57 0.834 -11.421 9.445 475 HG2 ARG 57 HG2 ARG 57 0.316 -14.102 8.178 476 HG3 ARG 57 HG3 ARG 57 0.748 -13.791 9.857 477 HD2 ARG 57 HD2 ARG 57 -1.324 -12.657 10.234 478 HD3 ARG 57 HD3 ARG 57 -1.726 -12.744 8.518 479 HE ARG 57 HE ARG 57 -1.341 -15.353 9.440 480 HH11 ARG 57 HH11 ARG 57 -3.589 -12.708 9.949 481 HH12 ARG 57 HH12 ARG 57 -4.930 -13.751 10.278 482 HH21 ARG 57 HH21 ARG 57 -3.099 -16.710 9.838 483 HH22 ARG 57 HH22 ARG 57 -4.657 -16.038 10.223 484 H GLU 58 H GLU 58 2.453 -10.921 6.407 485 HA GLU 58 HA GLU 58 2.683 -8.227 7.185 486 HB2 GLU 58 HB2 GLU 58 4.231 -10.020 5.362 487 HB3 GLU 58 HB3 GLU 58 4.536 -8.291 5.314 488 HG2 GLU 58 HG2 GLU 58 6.100 -9.485 6.783 489 HG3 GLU 58 HG3 GLU 58 5.150 -8.286 7.649 490 H LEU 59 H LEU 59 1.415 -9.775 4.317 491 HA LEU 59 HA LEU 59 1.285 -7.511 2.638 492 HB2 LEU 59 HB2 LEU 59 0.907 -10.012 2.100 493 HB3 LEU 59 HB3 LEU 59 -0.723 -9.761 2.674 494 HG LEU 59 HG LEU 59 0.442 -8.173 0.384 495 HD11 LEU 59 HD11 LEU 59 0.580 -10.526 -0.175 496 HD12 LEU 59 HD12 LEU 59 -0.680 -9.727 -1.113 497 HD13 LEU 59 HD13 LEU 59 -1.115 -10.741 0.262 498 HD21 LEU 59 HD21 LEU 59 -2.402 -8.771 1.200 499 HD22 LEU 59 HD22 LEU 59 -1.901 -7.805 -0.186 500 HD23 LEU 59 HD23 LEU 59 -1.565 -7.239 1.448 501 H ASP 60 H ASP 60 -0.990 -8.929 4.947 502 HA ASP 60 HA ASP 60 -3.156 -7.207 4.555 503 HB2 ASP 60 HB2 ASP 60 -3.304 -9.313 5.812 504 HB3 ASP 60 HB3 ASP 60 -2.314 -8.624 7.091 505 H VAL 61 H VAL 61 -0.451 -6.968 6.835 506 HA VAL 61 HA VAL 61 -1.333 -4.652 8.172 507 HB VAL 61 HB VAL 61 1.524 -5.545 7.733 508 HG11 VAL 61 HG11 VAL 61 1.382 -3.237 8.499 509 HG12 VAL 61 HG12 VAL 61 2.020 -4.278 9.770 510 HG13 VAL 61 HG13 VAL 61 0.344 -3.731 9.837 511 HG21 VAL 61 HG21 VAL 61 -0.405 -6.189 9.962 512 HG22 VAL 61 HG22 VAL 61 1.303 -6.621 9.939 513 HG23 VAL 61 HG23 VAL 61 0.203 -7.315 8.749 514 H VAL 62 H VAL 62 0.878 -5.022 5.417 515 HA VAL 62 HA VAL 62 1.375 -2.251 5.105 516 HB VAL 62 HB VAL 62 1.689 -4.512 3.105 517 HG11 VAL 62 HG11 VAL 62 1.508 -2.363 1.949 518 HG12 VAL 62 HG12 VAL 62 3.152 -2.993 1.862 519 HG13 VAL 62 HG13 VAL 62 2.764 -1.694 2.990 520 HG21 VAL 62 HG21 VAL 62 3.069 -4.781 5.079 521 HG22 VAL 62 HG22 VAL 62 3.668 -3.131 4.910 522 HG23 VAL 62 HG23 VAL 62 4.070 -4.342 3.693 523 H CYS 63 H CYS 63 -0.965 -4.445 3.659 524 HA CYS 63 HA CYS 63 -2.042 -2.635 1.785 525 HB2 CYS 63 HB2 CYS 63 -2.508 -5.075 1.769 526 HB3 CYS 63 HB3 CYS 63 -3.479 -4.883 3.222 527 HG CYS 63 HG CYS 63 -4.887 -5.198 0.633 528 H ALA 64 H ALA 64 -2.817 -3.275 5.174 529 HA ALA 64 HA ALA 64 -5.090 -1.643 5.390 530 HB1 ALA 64 HB1 ALA 64 -4.681 -1.773 7.803 531 HB2 ALA 64 HB2 ALA 64 -3.071 -2.429 7.484 532 HB3 ALA 64 HB3 ALA 64 -4.505 -3.349 7.027 533 H MET 65 H MET 65 -1.660 -0.947 6.167 534 HA MET 65 HA MET 65 -2.185 1.698 7.018 535 HB2 MET 65 HB2 MET 65 0.169 2.058 7.052 536 HB3 MET 65 HB3 MET 65 -0.097 0.387 7.531 537 HG2 MET 65 HG2 MET 65 0.502 -0.356 5.293 538 HG3 MET 65 HG3 MET 65 0.748 1.316 4.800 539 HE1 MET 65 HE1 MET 65 2.005 -1.662 6.887 540 HE2 MET 65 HE2 MET 65 1.719 -0.490 8.173 541 HE3 MET 65 HE3 MET 65 3.367 -0.998 7.789 542 H ILE 66 H ILE 66 -1.435 0.322 3.878 543 HA ILE 66 HA ILE 66 -1.094 2.792 2.550 544 HB ILE 66 HB ILE 66 -1.306 -0.031 1.728 545 HG12 ILE 66 HG12 ILE 66 0.494 0.672 0.182 546 HG13 ILE 66 HG13 ILE 66 0.239 2.339 0.677 547 HG21 ILE 66 HG21 ILE 66 -3.160 0.847 0.418 548 HG22 ILE 66 HG22 ILE 66 -1.792 0.431 -0.617 549 HG23 ILE 66 HG23 ILE 66 -2.118 2.119 -0.221 550 HD11 ILE 66 HD11 ILE 66 0.987 1.835 2.910 551 HD12 ILE 66 HD12 ILE 66 2.193 1.274 1.752 552 HD13 ILE 66 HD13 ILE 66 1.107 0.118 2.526 553 H GLU 67 H GLU 67 -3.938 0.670 2.931 554 HA GLU 67 HA GLU 67 -5.698 2.219 1.356 555 HB2 GLU 67 HB2 GLU 67 -6.144 0.272 3.615 556 HB3 GLU 67 HB3 GLU 67 -7.477 1.068 2.791 557 HG2 GLU 67 HG2 GLU 67 -5.420 -0.485 1.269 558 HG3 GLU 67 HG3 GLU 67 -6.791 -1.282 2.036 559 H GLY 68 H GLY 68 -4.711 2.358 4.708 560 HA2 GLY 68 HA2 GLY 68 -6.603 4.250 5.595 561 HA3 GLY 68 HA3 GLY 68 -5.040 3.927 6.337 562 H ALA 69 H ALA 69 -3.328 4.595 4.241 563 HA ALA 69 HA ALA 69 -3.256 7.413 4.518 564 HB1 ALA 69 HB1 ALA 69 -1.227 6.036 4.382 565 HB2 ALA 69 HB2 ALA 69 -1.251 7.295 3.147 566 HB3 ALA 69 HB3 ALA 69 -1.630 5.626 2.714 567 H GLN 70 H GLN 70 -4.159 5.219 1.865 568 HA GLN 70 HA GLN 70 -4.336 7.123 -0.192 569 HB2 GLN 70 HB2 GLN 70 -5.886 4.568 0.294 570 HB3 GLN 70 HB3 GLN 70 -5.997 5.495 -1.196 571 HG2 GLN 70 HG2 GLN 70 -3.369 4.494 -0.172 572 HG3 GLN 70 HG3 GLN 70 -4.451 3.445 -1.085 573 HE21 GLN 70 HE21 GLN 70 -5.452 5.451 -2.846 574 HE22 GLN 70 HE22 GLN 70 -4.168 5.865 -3.923 575 H GLY 71 H GLY 71 -6.629 6.046 2.198 576 HA2 GLY 71 HA2 GLY 71 -8.865 7.555 1.279 577 HA3 GLY 71 HA3 GLY 71 -8.699 6.865 2.885 578 H ALA 72 H ALA 72 -6.399 8.230 3.733 579 HA ALA 72 HA ALA 72 -7.668 10.628 4.669 580 HB1 ALA 72 HB1 ALA 72 -6.275 9.243 6.139 581 HB2 ALA 72 HB2 ALA 72 -5.684 10.901 6.040 582 HB3 ALA 72 HB3 ALA 72 -4.867 9.618 5.144 583 H LEU 73 H LEU 73 -5.481 9.805 2.137 584 HA LEU 73 HA LEU 73 -4.108 12.337 2.039 585 HB2 LEU 73 HB2 LEU 73 -3.891 9.730 0.746 586 HB3 LEU 73 HB3 LEU 73 -3.738 11.046 -0.396 587 HG LEU 73 HG LEU 73 -1.564 10.235 0.431 588 HD11 LEU 73 HD11 LEU 73 -0.602 12.399 0.943 589 HD12 LEU 73 HD12 LEU 73 -2.208 13.048 1.288 590 HD13 LEU 73 HD13 LEU 73 -1.797 12.527 -0.346 591 HD21 LEU 73 HD21 LEU 73 -2.493 11.282 3.102 592 HD22 LEU 73 HD22 LEU 73 -0.868 10.706 2.723 593 HD23 LEU 73 HD23 LEU 73 -2.231 9.588 2.687 594 H GLU 74 H GLU 74 -6.319 10.516 -0.039 595 HA GLU 74 HA GLU 74 -6.802 12.513 -1.892 596 HB2 GLU 74 HB2 GLU 74 -8.456 10.164 -0.993 597 HB3 GLU 74 HB3 GLU 74 -8.966 11.218 -2.299 598 HG2 GLU 74 HG2 GLU 74 -6.709 10.680 -3.369 599 HG3 GLU 74 HG3 GLU 74 -6.613 9.370 -2.191 600 H ARG 75 H ARG 75 -8.539 11.735 1.082 601 HA ARG 75 HA ARG 75 -10.668 13.501 0.878 602 HB2 ARG 75 HB2 ARG 75 -10.423 11.804 2.633 603 HB3 ARG 75 HB3 ARG 75 -9.106 12.721 3.346 604 HG2 ARG 75 HG2 ARG 75 -10.742 14.590 3.705 605 HG3 ARG 75 HG3 ARG 75 -12.013 13.464 3.223 606 HD2 ARG 75 HD2 ARG 75 -11.795 13.524 5.646 607 HD3 ARG 75 HD3 ARG 75 -11.334 11.940 5.019 608 HE ARG 75 HE ARG 75 -9.179 13.858 5.429 609 HH11 ARG 75 HH11 ARG 75 -10.964 11.126 6.729 610 HH12 ARG 75 HH12 ARG 75 -9.702 10.654 7.811 611 HH21 ARG 75 HH21 ARG 75 -7.527 13.240 6.842 612 HH22 ARG 75 HH22 ARG 75 -7.724 11.856 7.878 613 H GLU 76 H GLU 76 -7.475 14.089 2.267 614 HA GLU 76 HA GLU 76 -8.047 16.853 2.784 615 HB2 GLU 76 HB2 GLU 76 -5.749 15.088 3.240 616 HB3 GLU 76 HB3 GLU 76 -5.340 16.773 2.955 617 HG2 GLU 76 HG2 GLU 76 -5.562 16.417 5.306 618 HG3 GLU 76 HG3 GLU 76 -6.903 17.417 4.756 619 H LEU 77 H LEU 77 -5.705 15.362 0.442 620 HA LEU 77 HA LEU 77 -4.967 17.778 -0.645 621 HB2 LEU 77 HB2 LEU 77 -4.101 16.493 -2.567 622 HB3 LEU 77 HB3 LEU 77 -3.618 15.846 -1.019 623 HG LEU 77 HG LEU 77 -5.541 14.153 -1.356 624 HD11 LEU 77 HD11 LEU 77 -6.107 13.640 -3.650 625 HD12 LEU 77 HD12 LEU 77 -5.149 15.010 -4.215 626 HD13 LEU 77 HD13 LEU 77 -6.600 15.286 -3.250 627 HD21 LEU 77 HD21 LEU 77 -4.072 12.680 -2.648 628 HD22 LEU 77 HD22 LEU 77 -3.194 13.560 -1.395 629 HD23 LEU 77 HD23 LEU 77 -3.071 14.068 -3.080 630 H LYS 78 H LYS 78 -7.919 16.112 -1.146 631 HA LYS 78 HA LYS 78 -8.348 17.169 -3.761 632 HB2 LYS 78 HB2 LYS 78 -9.915 15.604 -1.799 633 HB3 LYS 78 HB3 LYS 78 -10.764 16.371 -3.160 634 HG2 LYS 78 HG2 LYS 78 -8.491 14.387 -3.311 635 HG3 LYS 78 HG3 LYS 78 -10.189 14.032 -3.643 636 HD2 LYS 78 HD2 LYS 78 -8.423 15.932 -5.207 637 HD3 LYS 78 HD3 LYS 78 -8.869 14.301 -5.698 638 HE2 LYS 78 HE2 LYS 78 -10.787 16.573 -5.234 639 HE3 LYS 78 HE3 LYS 78 -10.220 16.016 -6.805 640 HZ1 LYS 78 HZ1 LYS 78 -12.397 15.097 -6.259 641 HZ2 LYS 78 HZ2 LYS 78 -11.775 14.377 -4.866 642 HZ3 LYS 78 HZ3 LYS 78 -11.249 13.868 -6.390 643 H ARG 79 H ARG 79 -8.968 18.115 -0.480 644 HA ARG 79 HA ARG 79 -10.882 20.139 -1.249 645 HB2 ARG 79 HB2 ARG 79 -9.773 19.239 1.384 646 HB3 ARG 79 HB3 ARG 79 -10.662 20.752 1.260 647 HG2 ARG 79 HG2 ARG 79 -11.673 17.985 0.627 648 HG3 ARG 79 HG3 ARG 79 -12.184 19.039 1.949 649 HD2 ARG 79 HD2 ARG 79 -12.918 20.693 0.202 650 HD3 ARG 79 HD3 ARG 79 -12.618 19.446 -1.001 651 HE ARG 79 HE ARG 79 -14.375 18.614 1.103 652 HH11 ARG 79 HH11 ARG 79 -14.137 20.180 -2.033 653 HH12 ARG 79 HH12 ARG 79 -15.812 19.961 -2.410 654 HH21 ARG 79 HH21 ARG 79 -16.600 18.316 0.595 655 HH22 ARG 79 HH22 ARG 79 -17.212 18.896 -0.916 656 H THR 80 H THR 80 -7.515 19.958 -0.540 657 HA THR 80 HA THR 80 -7.349 22.870 -0.779 658 HB THR 80 HB THR 80 -5.092 20.964 -0.107 659 HG1 THR 80 HG1 THR 80 -6.985 22.275 1.562 660 HG21 THR 80 HG21 THR 80 -5.444 23.938 0.346 661 HG22 THR 80 HG22 THR 80 -4.434 23.204 -0.899 662 HG23 THR 80 HG23 THR 80 -4.032 22.985 0.803 663 H ASP 81 H ASP 81 -7.902 22.759 -3.152 664 HA ASP 81 HA ASP 81 -5.634 22.033 -4.738 665 HB2 ASP 81 HB2 ASP 81 -6.814 20.000 -4.956 666 HB3 ASP 81 HB3 ASP 81 -8.376 20.799 -4.883 667 H LEU 82 H LEU 82 -5.325 23.737 -6.108 668 HA LEU 82 HA LEU 82 -7.463 24.885 -7.500 669 HB2 LEU 82 HB2 LEU 82 -7.680 26.173 -5.399 670 HB3 LEU 82 HB3 LEU 82 -5.985 26.606 -5.508 671 HG LEU 82 HG LEU 82 -6.385 27.942 -7.480 672 HD11 LEU 82 HD11 LEU 82 -8.089 26.636 -8.556 673 HD12 LEU 82 HD12 LEU 82 -8.675 28.286 -8.332 674 HD13 LEU 82 HD13 LEU 82 -9.241 26.999 -7.268 675 HD21 LEU 82 HD21 LEU 82 -6.725 29.008 -5.311 676 HD22 LEU 82 HD22 LEU 82 -8.421 28.527 -5.331 677 HD23 LEU 82 HD23 LEU 82 -7.815 29.677 -6.525 678 H ASN 83 H ASN 83 -6.158 23.974 -9.060 679 HA ASN 83 HA ASN 83 -4.353 25.534 -10.365 680 HB2 ASN 83 HB2 ASN 83 -2.942 25.267 -8.321 681 HB3 ASN 83 HB3 ASN 83 -2.845 23.545 -8.657 682 HD21 ASN 83 HD21 ASN 83 -1.962 26.725 -9.751 683 HD22 ASN 83 HD22 ASN 83 -0.686 26.217 -10.796 684 H ILE 84 H ILE 84 -4.293 24.705 -12.341 685 HA ILE 84 HA ILE 84 -5.443 22.279 -13.090 686 HB ILE 84 HB ILE 84 -3.379 23.808 -14.691 687 HG12 ILE 84 HG12 ILE 84 -5.187 25.300 -13.967 688 HG13 ILE 84 HG13 ILE 84 -5.276 25.000 -15.696 689 HG21 ILE 84 HG21 ILE 84 -3.805 21.622 -15.620 690 HG22 ILE 84 HG22 ILE 84 -4.548 22.854 -16.643 691 HG23 ILE 84 HG23 ILE 84 -5.545 21.897 -15.548 692 HD11 ILE 84 HD11 ILE 84 -7.077 23.408 -15.331 693 HD12 ILE 84 HD12 ILE 84 -7.473 24.991 -14.668 694 HD13 ILE 84 HD13 ILE 84 -6.977 23.684 -13.593 695 H LEU 85 H LEU 85 -2.058 23.025 -12.423 696 HA LEU 85 HA LEU 85 -1.069 20.561 -13.483 697 HB2 LEU 85 HB2 LEU 85 0.161 22.825 -13.147 698 HB3 LEU 85 HB3 LEU 85 0.380 22.294 -11.495 699 HG LEU 85 HG LEU 85 2.329 21.930 -13.076 700 HD11 LEU 85 HD11 LEU 85 1.229 19.515 -11.663 701 HD12 LEU 85 HD12 LEU 85 2.185 20.802 -10.930 702 HD13 LEU 85 HD13 LEU 85 2.906 19.757 -12.154 703 HD21 LEU 85 HD21 LEU 85 0.987 21.156 -14.992 704 HD22 LEU 85 HD22 LEU 85 0.599 19.683 -14.098 705 HD23 LEU 85 HD23 LEU 85 2.265 20.025 -14.553 706 H GLU 86 H GLU 86 -1.883 21.784 -10.265 707 HA GLU 86 HA GLU 86 -1.060 19.537 -8.784 708 HB2 GLU 86 HB2 GLU 86 -3.057 21.709 -8.283 709 HB3 GLU 86 HB3 GLU 86 -2.958 20.340 -7.189 710 HG2 GLU 86 HG2 GLU 86 -0.583 22.036 -7.898 711 HG3 GLU 86 HG3 GLU 86 -1.637 22.368 -6.522 712 H ARG 87 H ARG 87 -4.209 20.258 -10.312 713 HA ARG 87 HA ARG 87 -5.432 17.951 -9.263 714 HB2 ARG 87 HB2 ARG 87 -7.279 18.347 -10.713 715 HB3 ARG 87 HB3 ARG 87 -6.678 19.917 -10.225 716 HG2 ARG 87 HG2 ARG 87 -7.050 20.299 -12.438 717 HG3 ARG 87 HG3 ARG 87 -5.377 19.746 -12.517 718 HD2 ARG 87 HD2 ARG 87 -6.078 17.532 -13.142 719 HD3 ARG 87 HD3 ARG 87 -7.771 17.947 -12.882 720 HE ARG 87 HE ARG 87 -6.894 19.725 -14.766 721 HH11 ARG 87 HH11 ARG 87 -7.054 16.228 -14.514 722 HH12 ARG 87 HH12 ARG 87 -7.217 15.987 -16.222 723 HH21 ARG 87 HH21 ARG 87 -7.137 19.401 -17.027 724 HH22 ARG 87 HH22 ARG 87 -7.272 17.792 -17.653 725 H PHE 88 H PHE 88 -3.453 18.490 -12.068 726 HA PHE 88 HA PHE 88 -3.873 15.961 -13.291 727 HB2 PHE 88 HB2 PHE 88 -2.968 17.821 -14.567 728 HB3 PHE 88 HB3 PHE 88 -1.577 17.924 -13.496 729 HD1 PHE 88 HD1 PHE 88 -3.291 15.516 -15.769 730 HD2 PHE 88 HD2 PHE 88 0.382 16.894 -14.121 731 HE1 PHE 88 HE1 PHE 88 -2.058 13.972 -17.235 732 HE2 PHE 88 HE2 PHE 88 1.621 15.352 -15.582 733 HZ PHE 88 HZ PHE 88 0.400 13.890 -17.143 734 H ASN 89 H ASN 89 -1.491 17.211 -11.010 735 HA ASN 89 HA ASN 89 0.165 14.941 -10.777 736 HB2 ASN 89 HB2 ASN 89 -0.567 17.028 -8.709 737 HB3 ASN 89 HB3 ASN 89 0.640 15.783 -8.435 738 HD21 ASN 89 HD21 ASN 89 0.930 18.657 -8.408 739 HD22 ASN 89 HD22 ASN 89 2.110 19.029 -9.614 740 H TYR 90 H TYR 90 -2.629 15.942 -8.906 741 HA TYR 90 HA TYR 90 -2.866 13.780 -7.188 742 HB2 TYR 90 HB2 TYR 90 -5.046 15.487 -8.406 743 HB3 TYR 90 HB3 TYR 90 -5.273 14.408 -7.038 744 HD1 TYR 90 HD1 TYR 90 -2.053 15.904 -6.843 745 HD2 TYR 90 HD2 TYR 90 -6.177 16.685 -6.155 746 HE1 TYR 90 HE1 TYR 90 -1.445 17.721 -5.339 747 HE2 TYR 90 HE2 TYR 90 -5.590 18.502 -4.646 748 HH TYR 90 HH TYR 90 -2.352 19.732 -4.464 749 H GLU 91 H GLU 91 -4.327 14.264 -10.408 750 HA GLU 91 HA GLU 91 -5.726 11.896 -10.650 751 HB2 GLU 91 HB2 GLU 91 -5.847 13.840 -12.187 752 HB3 GLU 91 HB3 GLU 91 -4.254 13.431 -12.800 753 HG2 GLU 91 HG2 GLU 91 -5.923 12.667 -14.340 754 HG3 GLU 91 HG3 GLU 91 -5.144 11.274 -13.590 755 H GLU 92 H GLU 92 -2.342 12.620 -11.508 756 HA GLU 92 HA GLU 92 -1.751 10.077 -12.558 757 HB2 GLU 92 HB2 GLU 92 -0.338 12.047 -12.975 758 HB3 GLU 92 HB3 GLU 92 0.140 12.059 -11.281 759 HG2 GLU 92 HG2 GLU 92 1.915 11.027 -12.439 760 HG3 GLU 92 HG3 GLU 92 1.029 9.724 -11.646 761 H ALA 93 H ALA 93 -1.174 11.428 -9.235 762 HA ALA 93 HA ALA 93 0.016 9.179 -8.183 763 HB1 ALA 93 HB1 ALA 93 -0.650 10.091 -6.016 764 HB2 ALA 93 HB2 ALA 93 -1.779 11.185 -6.814 765 HB3 ALA 93 HB3 ALA 93 -0.045 11.364 -7.076 766 H GLN 94 H GLN 94 -3.380 10.101 -8.378 767 HA GLN 94 HA GLN 94 -4.492 7.912 -7.033 768 HB2 GLN 94 HB2 GLN 94 -5.745 9.948 -7.567 769 HB3 GLN 94 HB3 GLN 94 -5.615 9.596 -9.282 770 HG2 GLN 94 HG2 GLN 94 -6.989 7.603 -8.981 771 HG3 GLN 94 HG3 GLN 94 -7.107 7.948 -7.255 772 HE21 GLN 94 HE21 GLN 94 -8.439 9.606 -6.537 773 HE22 GLN 94 HE22 GLN 94 -9.576 10.385 -7.587 774 H THR 95 H THR 95 -3.705 8.420 -10.430 775 HA THR 95 HA THR 95 -4.644 6.029 -11.489 776 HB THR 95 HB THR 95 -2.249 7.680 -12.316 777 HG1 THR 95 HG1 THR 95 -4.374 8.677 -12.404 778 HG21 THR 95 HG21 THR 95 -2.388 6.564 -14.476 779 HG22 THR 95 HG22 THR 95 -3.701 5.539 -13.882 780 HG23 THR 95 HG23 THR 95 -2.085 5.391 -13.193 781 H LEU 96 H LEU 96 -1.344 6.777 -10.272 782 HA LEU 96 HA LEU 96 -0.363 4.180 -10.809 783 HB2 LEU 96 HB2 LEU 96 0.742 6.299 -8.973 784 HB3 LEU 96 HB3 LEU 96 1.603 4.880 -9.536 785 HG LEU 96 HG LEU 96 0.632 7.152 -11.273 786 HD11 LEU 96 HD11 LEU 96 3.409 6.398 -10.383 787 HD12 LEU 96 HD12 LEU 96 2.487 7.803 -9.847 788 HD13 LEU 96 HD13 LEU 96 3.002 7.676 -11.528 789 HD21 LEU 96 HD21 LEU 96 0.620 5.032 -12.474 790 HD22 LEU 96 HD22 LEU 96 2.276 4.714 -11.957 791 HD23 LEU 96 HD23 LEU 96 1.935 6.062 -13.042 792 H SER 97 H SER 97 -1.669 5.727 -7.925 793 HA SER 97 HA SER 97 -0.867 3.766 -6.108 794 HB2 SER 97 HB2 SER 97 -2.712 4.677 -4.658 795 HB3 SER 97 HB3 SER 97 -1.555 5.869 -5.247 796 HG SER 97 HG SER 97 -3.030 6.646 -6.632 797 H LYS 98 H LYS 98 -4.013 4.081 -7.848 798 HA LYS 98 HA LYS 98 -5.028 1.750 -6.642 799 HB2 LYS 98 HB2 LYS 98 -6.855 1.899 -8.232 800 HB3 LYS 98 HB3 LYS 98 -6.511 3.467 -7.523 801 HG2 LYS 98 HG2 LYS 98 -5.277 4.077 -9.539 802 HG3 LYS 98 HG3 LYS 98 -5.711 2.520 -10.251 803 HD2 LYS 98 HD2 LYS 98 -8.105 3.106 -9.966 804 HD3 LYS 98 HD3 LYS 98 -7.615 4.694 -9.373 805 HE2 LYS 98 HE2 LYS 98 -8.203 4.887 -11.684 806 HE3 LYS 98 HE3 LYS 98 -6.458 5.076 -11.533 807 HZ1 LYS 98 HZ1 LYS 98 -6.193 2.770 -12.225 808 HZ2 LYS 98 HZ2 LYS 98 -7.041 3.653 -13.393 809 HZ3 LYS 98 HZ3 LYS 98 -7.867 2.601 -12.367 810 H ILE 99 H ILE 99 -3.090 2.291 -9.524 811 HA ILE 99 HA ILE 99 -3.429 -0.274 -10.656 812 HB ILE 99 HB ILE 99 -1.051 1.609 -10.758 813 HG12 ILE 99 HG12 ILE 99 -3.162 0.948 -12.826 814 HG13 ILE 99 HG13 ILE 99 -3.125 2.410 -11.848 815 HG21 ILE 99 HG21 ILE 99 -1.517 -0.915 -12.345 816 HG22 ILE 99 HG22 ILE 99 -0.277 -0.671 -11.114 817 HG23 ILE 99 HG23 ILE 99 -0.215 0.244 -12.622 818 HD11 ILE 99 HD11 ILE 99 -1.008 3.045 -12.897 819 HD12 ILE 99 HD12 ILE 99 -2.292 2.829 -14.086 820 HD13 ILE 99 HD13 ILE 99 -1.062 1.582 -13.878 821 H LEU 100 H LEU 100 -1.173 1.055 -8.311 822 HA LEU 100 HA LEU 100 0.394 -1.235 -7.869 823 HB2 LEU 100 HB2 LEU 100 1.120 0.980 -7.216 824 HB3 LEU 100 HB3 LEU 100 -0.212 1.123 -6.089 825 HG LEU 100 HG LEU 100 0.768 -0.697 -4.738 826 HD11 LEU 100 HD11 LEU 100 1.992 -1.874 -6.473 827 HD12 LEU 100 HD12 LEU 100 3.082 -1.391 -5.175 828 HD13 LEU 100 HD13 LEU 100 3.058 -0.487 -6.688 829 HD21 LEU 100 HD21 LEU 100 2.592 1.638 -5.289 830 HD22 LEU 100 HD22 LEU 100 2.638 0.617 -3.852 831 HD23 LEU 100 HD23 LEU 100 1.223 1.618 -4.177 832 H LEU 101 H LEU 101 -2.443 0.030 -6.163 833 HA LEU 101 HA LEU 101 -2.603 -1.910 -4.149 834 HB2 LEU 101 HB2 LEU 101 -4.470 0.048 -5.359 835 HB3 LEU 101 HB3 LEU 101 -5.197 -1.267 -4.464 836 HG LEU 101 HG LEU 101 -4.903 0.788 -3.115 837 HD11 LEU 101 HD11 LEU 101 -3.945 -0.302 -1.166 838 HD12 LEU 101 HD12 LEU 101 -3.219 -1.537 -2.190 839 HD13 LEU 101 HD13 LEU 101 -4.972 -1.425 -2.054 840 HD21 LEU 101 HD21 LEU 101 -2.844 1.611 -4.137 841 HD22 LEU 101 HD22 LEU 101 -1.955 0.245 -3.466 842 HD23 LEU 101 HD23 LEU 101 -2.666 1.446 -2.391 843 H LYS 102 H LYS 102 -4.050 -1.816 -7.373 844 HA LYS 102 HA LYS 102 -5.527 -4.188 -7.214 845 HB2 LYS 102 HB2 LYS 102 -5.790 -2.558 -9.017 846 HB3 LYS 102 HB3 LYS 102 -4.169 -2.916 -9.588 847 HG2 LYS 102 HG2 LYS 102 -4.929 -5.262 -10.002 848 HG3 LYS 102 HG3 LYS 102 -6.570 -4.723 -9.637 849 HD2 LYS 102 HD2 LYS 102 -6.199 -4.714 -12.036 850 HD3 LYS 102 HD3 LYS 102 -6.407 -3.063 -11.450 851 HE2 LYS 102 HE2 LYS 102 -4.581 -3.180 -13.053 852 HE3 LYS 102 HE3 LYS 102 -3.966 -2.759 -11.460 853 HZ1 LYS 102 HZ1 LYS 102 -3.686 -5.378 -11.357 854 HZ2 LYS 102 HZ2 LYS 102 -2.494 -4.373 -11.984 855 HZ3 LYS 102 HZ3 LYS 102 -3.552 -5.183 -13.030 856 H ASP 103 H ASP 103 -2.210 -3.649 -8.511 857 HA ASP 103 HA ASP 103 -1.662 -6.310 -9.097 858 HB2 ASP 103 HB2 ASP 103 0.066 -3.927 -8.517 859 HB3 ASP 103 HB3 ASP 103 0.799 -5.513 -8.731 860 H LEU 104 H LEU 104 -1.388 -4.590 -5.959 861 HA LEU 104 HA LEU 104 0.081 -6.570 -4.648 862 HB2 LEU 104 HB2 LEU 104 -0.261 -4.294 -3.791 863 HB3 LEU 104 HB3 LEU 104 -1.971 -4.619 -3.600 864 HG LEU 104 HG LEU 104 -1.421 -6.338 -1.895 865 HD11 LEU 104 HD11 LEU 104 0.839 -6.371 -0.945 866 HD12 LEU 104 HD12 LEU 104 1.388 -5.302 -2.237 867 HD13 LEU 104 HD13 LEU 104 0.811 -6.925 -2.617 868 HD21 LEU 104 HD21 LEU 104 -2.021 -4.087 -1.208 869 HD22 LEU 104 HD22 LEU 104 -0.343 -3.571 -1.370 870 HD23 LEU 104 HD23 LEU 104 -0.788 -4.748 -0.135 871 H LYS 105 H LYS 105 -3.396 -5.993 -4.927 872 HA LYS 105 HA LYS 105 -4.292 -8.189 -3.447 873 HB2 LYS 105 HB2 LYS 105 -5.630 -6.805 -5.780 874 HB3 LYS 105 HB3 LYS 105 -6.437 -7.865 -4.632 875 HG2 LYS 105 HG2 LYS 105 -6.011 -6.329 -2.830 876 HG3 LYS 105 HG3 LYS 105 -5.038 -5.307 -3.887 877 HD2 LYS 105 HD2 LYS 105 -7.047 -4.893 -5.270 878 HD3 LYS 105 HD3 LYS 105 -8.001 -5.842 -4.126 879 HE2 LYS 105 HE2 LYS 105 -7.395 -4.283 -2.336 880 HE3 LYS 105 HE3 LYS 105 -6.448 -3.335 -3.481 881 HZ1 LYS 105 HZ1 LYS 105 -8.592 -2.334 -3.139 882 HZ2 LYS 105 HZ2 LYS 105 -9.384 -3.763 -3.562 883 HZ3 LYS 105 HZ3 LYS 105 -8.503 -2.915 -4.725 884 H GLU 106 H GLU 106 -3.232 -7.956 -6.783 885 HA GLU 106 HA GLU 106 -4.148 -10.446 -7.743 886 HB2 GLU 106 HB2 GLU 106 -3.348 -8.756 -9.269 887 HB3 GLU 106 HB3 GLU 106 -1.783 -8.703 -8.476 888 HG2 GLU 106 HG2 GLU 106 -1.548 -9.843 -10.558 889 HG3 GLU 106 HG3 GLU 106 -1.367 -11.017 -9.259 890 H THR 107 H THR 107 -1.250 -9.421 -6.114 891 HA THR 107 HA THR 107 0.105 -11.926 -6.201 892 HB THR 107 HB THR 107 0.527 -9.807 -4.092 893 HG1 THR 107 HG1 THR 107 0.631 -8.813 -6.166 894 HG21 THR 107 HG21 THR 107 2.388 -11.818 -5.369 895 HG22 THR 107 HG22 THR 107 1.714 -11.924 -3.743 896 HG23 THR 107 HG23 THR 107 2.843 -10.631 -4.148 897 H GLU 108 H GLU 108 -1.816 -10.313 -3.634 898 HA GLU 108 HA GLU 108 -1.758 -12.215 -1.673 899 HB2 GLU 108 HB2 GLU 108 -2.862 -10.030 -1.469 900 HB3 GLU 108 HB3 GLU 108 -4.158 -10.587 -2.517 901 HG2 GLU 108 HG2 GLU 108 -4.672 -12.354 -0.853 902 HG3 GLU 108 HG3 GLU 108 -3.465 -11.640 0.214 903 H GLN 109 H GLN 109 -4.151 -12.030 -4.315 904 HA GLN 109 HA GLN 109 -5.608 -14.311 -3.764 905 HB2 GLN 109 HB2 GLN 109 -4.932 -13.144 -6.460 906 HB3 GLN 109 HB3 GLN 109 -6.186 -14.338 -6.164 907 HG2 GLN 109 HG2 GLN 109 -7.399 -12.774 -4.786 908 HG3 GLN 109 HG3 GLN 109 -6.113 -11.582 -4.966 909 HE21 GLN 109 HE21 GLN 109 -7.433 -10.077 -5.897 910 HE22 GLN 109 HE22 GLN 109 -8.051 -10.230 -7.505 911 H LYS 110 H LYS 110 -2.632 -13.991 -5.646 912 HA LYS 110 HA LYS 110 -2.470 -16.626 -6.538 913 HB2 LYS 110 HB2 LYS 110 -1.121 -14.325 -6.894 914 HB3 LYS 110 HB3 LYS 110 0.011 -15.196 -5.881 915 HG2 LYS 110 HG2 LYS 110 0.225 -16.936 -7.464 916 HG3 LYS 110 HG3 LYS 110 -1.153 -16.341 -8.396 917 HD2 LYS 110 HD2 LYS 110 1.373 -14.793 -7.936 918 HD3 LYS 110 HD3 LYS 110 1.068 -15.762 -9.386 919 HE2 LYS 110 HE2 LYS 110 -0.515 -13.365 -8.423 920 HE3 LYS 110 HE3 LYS 110 0.587 -13.408 -9.793 921 HZ1 LYS 110 HZ1 LYS 110 -1.860 -15.070 -9.602 922 HZ2 LYS 110 HZ2 LYS 110 -0.864 -14.865 -10.958 923 HZ3 LYS 110 HZ3 LYS 110 -1.798 -13.571 -10.382 924 H VAL 111 H VAL 111 -1.189 -15.025 -3.659 925 HA VAL 111 HA VAL 111 0.290 -17.127 -2.543 926 HB VAL 111 HB VAL 111 -1.182 -14.880 -1.132 927 HG11 VAL 111 HG11 VAL 111 -0.654 -16.649 0.437 928 HG12 VAL 111 HG12 VAL 111 0.383 -15.252 0.721 929 HG13 VAL 111 HG13 VAL 111 1.021 -16.667 -0.113 930 HG21 VAL 111 HG21 VAL 111 0.979 -13.749 -1.104 931 HG22 VAL 111 HG22 VAL 111 0.445 -14.074 -2.753 932 HG23 VAL 111 HG23 VAL 111 1.691 -15.082 -2.012 933 H LYS 112 H LYS 112 -3.026 -16.080 -1.880 934 HA LYS 112 HA LYS 112 -3.592 -18.174 -0.055 935 HB2 LYS 112 HB2 LYS 112 -5.879 -17.382 -0.146 936 HB3 LYS 112 HB3 LYS 112 -4.776 -16.016 -0.069 937 HG2 LYS 112 HG2 LYS 112 -4.997 -15.931 -2.612 938 HG3 LYS 112 HG3 LYS 112 -6.385 -16.993 -2.394 939 HD2 LYS 112 HD2 LYS 112 -6.030 -14.265 -1.148 940 HD3 LYS 112 HD3 LYS 112 -7.063 -14.643 -2.524 941 HE2 LYS 112 HE2 LYS 112 -7.354 -15.704 0.274 942 HE3 LYS 112 HE3 LYS 112 -8.349 -14.470 -0.498 943 HZ1 LYS 112 HZ1 LYS 112 -9.459 -16.588 -0.564 944 HZ2 LYS 112 HZ2 LYS 112 -8.142 -17.318 -1.321 945 HZ3 LYS 112 HZ3 LYS 112 -9.035 -16.139 -2.137 946 H ASP 113 H ASP 113 -3.615 -18.005 -3.489 947 HA ASP 113 HA ASP 113 -5.443 -20.187 -3.822 948 HB2 ASP 113 HB2 ASP 113 -3.957 -18.434 -5.663 949 HB3 ASP 113 HB3 ASP 113 -4.286 -20.060 -6.253 950 H ILE 114 H ILE 114 -2.006 -19.949 -3.338 951 HA ILE 114 HA ILE 114 -1.417 -22.552 -4.332 952 HB ILE 114 HB ILE 114 0.018 -20.458 -2.814 953 HG12 ILE 114 HG12 ILE 114 1.922 -21.253 -4.205 954 HG13 ILE 114 HG13 ILE 114 0.887 -22.521 -4.841 955 HG21 ILE 114 HG21 ILE 114 0.220 -22.196 -1.144 956 HG22 ILE 114 HG22 ILE 114 1.773 -21.942 -1.937 957 HG23 ILE 114 HG23 ILE 114 0.784 -23.338 -2.362 958 HD11 ILE 114 HD11 ILE 114 -0.552 -20.887 -5.866 959 HD12 ILE 114 HD12 ILE 114 1.129 -20.601 -6.345 960 HD13 ILE 114 HD13 ILE 114 0.369 -19.574 -5.129 961 H GLN 115 H GLN 115 -2.139 -24.447 -3.487 962 HA GLN 115 HA GLN 115 -3.378 -24.596 -0.960 963 HB2 GLN 115 HB2 GLN 115 -3.424 -27.034 -1.414 964 HB3 GLN 115 HB3 GLN 115 -4.053 -26.072 -2.745 965 HG2 GLN 115 HG2 GLN 115 -2.049 -26.374 -4.003 966 HG3 GLN 115 HG3 GLN 115 -1.245 -27.134 -2.632 967 HE21 GLN 115 HE21 GLN 115 -1.741 -28.106 -5.346 968 HE22 GLN 115 HE22 GLN 115 -2.596 -29.595 -5.164 969 H THR 116 H THR 116 -2.470 -24.752 0.947 970 HA THR 116 HA THR 116 0.207 -25.927 1.126 971 HB THR 116 HB THR 116 0.455 -24.592 3.206 972 HG1 THR 116 HG1 THR 116 -1.345 -22.735 2.925 973 HG21 THR 116 HG21 THR 116 -0.256 -23.031 0.724 974 HG22 THR 116 HG22 THR 116 1.314 -23.746 1.083 975 HG23 THR 116 HG23 THR 116 0.702 -22.418 2.073 976 H GLN 117 H GLN 117 0.449 -26.474 3.719 977 HA GLN 117 HA GLN 117 0.058 -28.001 5.322 978 HB2 GLN 117 HB2 GLN 117 -1.931 -26.620 5.769 979 HB3 GLN 117 HB3 GLN 117 -2.858 -27.585 4.631 980 HG2 GLN 117 HG2 GLN 117 -2.423 -29.570 6.066 981 HG3 GLN 117 HG3 GLN 117 -1.660 -28.493 7.236 982 HE21 GLN 117 HE21 GLN 117 -2.934 -27.064 8.402 983 HE22 GLN 117 HE22 GLN 117 -4.649 -27.235 8.512 Start of MODEL 18 1 H GLN 1 H1 GLN 1 8.101 5.162 8.024 2 HA GLN 1 HA GLN 1 8.724 7.471 6.286 3 HB2 GLN 1 HB2 GLN 1 7.352 7.687 8.550 4 HB3 GLN 1 HB3 GLN 1 8.928 7.447 9.283 5 HG2 GLN 1 HG2 GLN 1 8.181 9.670 7.381 6 HG3 GLN 1 HG3 GLN 1 8.349 9.813 9.126 7 HE21 GLN 1 HE21 GLN 1 9.982 9.651 6.100 8 HE22 GLN 1 HE22 GLN 1 11.576 9.953 6.706 9 H GLU 2 H GLU 2 10.502 6.330 5.374 10 HA GLU 2 HA GLU 2 12.739 5.989 7.225 11 HB2 GLU 2 HB2 GLU 2 11.844 4.007 5.135 12 HB3 GLU 2 HB3 GLU 2 13.437 3.971 5.879 13 HG2 GLU 2 HG2 GLU 2 12.470 3.590 8.048 14 HG3 GLU 2 HG3 GLU 2 10.845 3.781 7.397 15 H HIS 3 H HIS 3 14.749 6.440 6.394 16 HA HIS 3 HA HIS 3 14.704 8.102 4.009 17 HB2 HIS 3 HB2 HIS 3 15.740 8.906 6.151 18 HB3 HIS 3 HB3 HIS 3 16.962 7.657 5.973 19 HD1 HIS 3 HD1 HIS 3 19.056 8.781 5.291 20 HD2 HIS 3 HD2 HIS 3 15.744 10.387 3.361 21 HE1 HIS 3 HE1 HIS 3 19.963 10.518 3.722 22 HE2 HIS 3 HE2 HIS 3 17.959 11.355 2.451 23 H LYS 4 H LYS 4 14.784 6.767 2.190 24 HA LYS 4 HA LYS 4 16.193 4.358 2.118 25 HB2 LYS 4 HB2 LYS 4 15.592 4.326 -0.237 26 HB3 LYS 4 HB3 LYS 4 14.213 4.793 0.740 27 HG2 LYS 4 HG2 LYS 4 15.950 6.751 -0.768 28 HG3 LYS 4 HG3 LYS 4 14.480 6.037 -1.426 29 HD2 LYS 4 HD2 LYS 4 13.256 7.021 0.558 30 HD3 LYS 4 HD3 LYS 4 14.742 7.887 0.948 31 HE2 LYS 4 HE2 LYS 4 14.685 8.929 -1.293 32 HE3 LYS 4 HE3 LYS 4 13.154 8.116 -1.607 33 HZ1 LYS 4 HZ1 LYS 4 13.701 10.215 0.431 34 HZ2 LYS 4 HZ2 LYS 4 12.268 9.319 0.388 35 HZ3 LYS 4 HZ3 LYS 4 12.673 10.318 -0.908 36 HA PRO 5 HA PRO 5 20.271 5.538 0.894 37 HB2 PRO 5 HB2 PRO 5 21.016 3.431 -0.628 38 HB3 PRO 5 HB3 PRO 5 20.788 3.298 1.121 39 HG2 PRO 5 HG2 PRO 5 18.911 2.553 -1.093 40 HG3 PRO 5 HG3 PRO 5 19.336 1.639 0.366 41 HD2 PRO 5 HD2 PRO 5 17.062 3.083 0.169 42 HD3 PRO 5 HD3 PRO 5 17.927 2.874 1.703 43 H LYS 6 H LYS 6 18.404 6.906 -0.659 44 HA LYS 6 HA LYS 6 19.541 6.758 -3.381 45 HB2 LYS 6 HB2 LYS 6 16.764 7.551 -2.495 46 HB3 LYS 6 HB3 LYS 6 17.379 7.786 -4.121 47 HG2 LYS 6 HG2 LYS 6 17.229 5.092 -2.802 48 HG3 LYS 6 HG3 LYS 6 15.925 5.773 -3.777 49 HD2 LYS 6 HD2 LYS 6 17.504 5.990 -5.666 50 HD3 LYS 6 HD3 LYS 6 18.745 5.212 -4.683 51 HE2 LYS 6 HE2 LYS 6 17.527 3.186 -4.590 52 HE3 LYS 6 HE3 LYS 6 16.088 3.936 -5.276 53 HZ1 LYS 6 HZ1 LYS 6 17.260 2.622 -6.912 54 HZ2 LYS 6 HZ2 LYS 6 18.666 3.518 -6.687 55 HZ3 LYS 6 HZ3 LYS 6 17.292 4.253 -7.344 56 H LYS 7 H LYS 7 19.193 8.991 -4.513 57 HA LYS 7 HA LYS 7 20.412 10.998 -2.900 58 HB2 LYS 7 HB2 LYS 7 20.976 11.093 -5.199 59 HB3 LYS 7 HB3 LYS 7 19.292 11.004 -5.698 60 HG2 LYS 7 HG2 LYS 7 20.145 13.260 -6.027 61 HG3 LYS 7 HG3 LYS 7 18.890 13.219 -4.778 62 HD2 LYS 7 HD2 LYS 7 20.711 14.669 -4.072 63 HD3 LYS 7 HD3 LYS 7 20.628 13.247 -3.037 64 HE2 LYS 7 HE2 LYS 7 22.469 12.233 -4.321 65 HE3 LYS 7 HE3 LYS 7 22.558 13.682 -5.320 66 HZ1 LYS 7 HZ1 LYS 7 23.084 14.959 -3.312 67 HZ2 LYS 7 HZ2 LYS 7 24.222 13.753 -3.598 68 HZ3 LYS 7 HZ3 LYS 7 23.061 13.538 -2.395 69 H ASP 8 H ASP 8 19.264 11.770 -1.293 70 HA ASP 8 HA ASP 8 17.044 13.429 -1.711 71 HB2 ASP 8 HB2 ASP 8 15.751 11.518 -2.071 72 HB3 ASP 8 HB3 ASP 8 16.526 10.628 -0.766 73 H ASP 9 H ASP 9 17.264 14.842 -0.218 74 HA ASP 9 HA ASP 9 18.539 14.077 2.332 75 HB2 ASP 9 HB2 ASP 9 19.748 15.731 0.865 76 HB3 ASP 9 HB3 ASP 9 18.427 16.855 1.165 77 H PHE 10 H PHE 10 15.679 15.270 0.934 78 HA PHE 10 HA PHE 10 14.865 16.638 3.342 79 HB2 PHE 10 HB2 PHE 10 13.660 16.515 0.602 80 HB3 PHE 10 HB3 PHE 10 12.831 17.253 1.974 81 HD1 PHE 10 HD1 PHE 10 15.932 17.393 -0.021 82 HD2 PHE 10 HD2 PHE 10 13.334 19.424 2.650 83 HE1 PHE 10 HE1 PHE 10 17.201 19.473 -0.380 84 HE2 PHE 10 HE2 PHE 10 14.589 21.505 2.302 85 HZ PHE 10 HZ PHE 10 16.528 21.534 0.788 86 H ARG 11 H ARG 11 13.771 15.761 4.844 87 HA ARG 11 HA ARG 11 12.660 13.125 4.598 88 HB2 ARG 11 HB2 ARG 11 13.776 13.651 6.633 89 HB3 ARG 11 HB3 ARG 11 12.842 15.122 6.844 90 HG2 ARG 11 HG2 ARG 11 10.838 13.798 7.270 91 HG3 ARG 11 HG3 ARG 11 11.767 12.315 7.036 92 HD2 ARG 11 HD2 ARG 11 11.421 12.988 9.428 93 HD3 ARG 11 HD3 ARG 11 13.102 12.754 8.956 94 HE ARG 11 HE ARG 11 12.588 15.441 8.590 95 HH11 ARG 11 HH11 ARG 11 12.440 13.226 11.297 96 HH12 ARG 11 HH12 ARG 11 12.922 14.413 12.458 97 HH21 ARG 11 HH21 ARG 11 13.227 17.019 10.122 98 HH22 ARG 11 HH22 ARG 11 13.358 16.583 11.792 99 H ASN 12 H ASN 12 11.440 16.414 4.822 100 HA ASN 12 HA ASN 12 8.838 15.548 3.933 101 HB2 ASN 12 HB2 ASN 12 7.653 16.746 5.813 102 HB3 ASN 12 HB3 ASN 12 8.471 15.262 6.288 103 HD21 ASN 12 HD21 ASN 12 8.364 18.715 6.595 104 HD22 ASN 12 HD22 ASN 12 9.527 18.844 7.861 105 H GLU 13 H GLU 13 8.129 16.946 2.484 106 HA GLU 13 HA GLU 13 9.336 19.588 2.327 107 HB2 GLU 13 HB2 GLU 13 7.597 17.994 0.461 108 HB3 GLU 13 HB3 GLU 13 7.933 19.694 0.179 109 HG2 GLU 13 HG2 GLU 13 10.093 17.634 0.508 110 HG3 GLU 13 HG3 GLU 13 9.384 18.052 -1.050 111 H PHE 14 H PHE 14 6.017 18.733 1.513 112 HA PHE 14 HA PHE 14 4.976 21.123 2.664 113 HB2 PHE 14 HB2 PHE 14 3.583 18.653 1.614 114 HB3 PHE 14 HB3 PHE 14 2.741 20.107 2.134 115 HD1 PHE 14 HD1 PHE 14 4.855 18.611 -0.443 116 HD2 PHE 14 HD2 PHE 14 2.808 22.124 0.802 117 HE1 PHE 14 HE1 PHE 14 5.107 19.550 -2.703 118 HE2 PHE 14 HE2 PHE 14 3.056 23.072 -1.455 119 HZ PHE 14 HZ PHE 14 4.206 21.785 -3.211 120 H ASP 15 H ASP 15 3.761 21.417 4.509 121 HA ASP 15 HA ASP 15 4.506 19.984 6.781 122 HB2 ASP 15 HB2 ASP 15 3.768 22.246 6.993 123 HB3 ASP 15 HB3 ASP 15 2.190 21.854 6.323 124 H HIS 16 H HIS 16 1.337 19.926 5.141 125 HA HIS 16 HA HIS 16 0.516 17.652 6.745 126 HB2 HIS 16 HB2 HIS 16 -0.875 19.256 4.605 127 HB3 HIS 16 HB3 HIS 16 -1.579 17.794 5.284 128 HD1 HIS 16 HD1 HIS 16 -1.854 21.270 5.650 129 HD2 HIS 16 HD2 HIS 16 -1.515 18.137 8.356 130 HE1 HIS 16 HE1 HIS 16 -2.775 22.142 7.812 131 HE2 HIS 16 HE2 HIS 16 -2.741 20.172 9.371 132 H LEU 17 H LEU 17 2.565 17.846 4.230 133 HA LEU 17 HA LEU 17 3.297 16.458 2.620 134 HB2 LEU 17 HB2 LEU 17 2.293 14.461 4.639 135 HB3 LEU 17 HB3 LEU 17 3.415 14.105 3.345 136 HG LEU 17 HG LEU 17 4.031 16.135 5.479 137 HD11 LEU 17 HD11 LEU 17 4.683 13.188 5.452 138 HD12 LEU 17 HD12 LEU 17 3.596 14.007 6.575 139 HD13 LEU 17 HD13 LEU 17 5.320 14.371 6.593 140 HD21 LEU 17 HD21 LEU 17 5.748 14.552 3.571 141 HD22 LEU 17 HD22 LEU 17 6.341 15.658 4.804 142 HD23 LEU 17 HD23 LEU 17 5.376 16.272 3.463 143 H LEU 18 H LEU 18 0.826 17.288 1.700 144 HA LEU 18 HA LEU 18 -1.061 15.282 1.194 145 HB2 LEU 18 HB2 LEU 18 -0.375 17.651 -0.546 146 HB3 LEU 18 HB3 LEU 18 -1.830 16.685 -0.682 147 HG LEU 18 HG LEU 18 -1.066 18.438 1.655 148 HD11 LEU 18 HD11 LEU 18 -3.004 19.768 0.957 149 HD12 LEU 18 HD12 LEU 18 -3.215 18.713 -0.442 150 HD13 LEU 18 HD13 LEU 18 -1.762 19.702 -0.293 151 HD21 LEU 18 HD21 LEU 18 -3.308 17.908 2.517 152 HD22 LEU 18 HD22 LEU 18 -2.279 16.480 2.429 153 HD23 LEU 18 HD23 LEU 18 -3.526 16.744 1.211 154 H ILE 19 H ILE 19 0.772 16.593 -1.536 155 HA ILE 19 HA ILE 19 0.689 14.154 -2.948 156 HB ILE 19 HB ILE 19 2.269 16.697 -3.408 157 HG12 ILE 19 HG12 ILE 19 -0.176 16.772 -3.711 158 HG13 ILE 19 HG13 ILE 19 0.684 17.024 -5.229 159 HG21 ILE 19 HG21 ILE 19 3.554 14.825 -4.362 160 HG22 ILE 19 HG22 ILE 19 2.865 15.859 -5.618 161 HG23 ILE 19 HG23 ILE 19 2.114 14.310 -5.246 162 HD11 ILE 19 HD11 ILE 19 -1.249 15.583 -5.523 163 HD12 ILE 19 HD12 ILE 19 -0.623 14.461 -4.327 164 HD13 ILE 19 HD13 ILE 19 0.238 14.700 -5.848 165 H GLU 20 H GLU 20 2.880 15.506 -0.664 166 HA GLU 20 HA GLU 20 5.202 14.055 -1.138 167 HB2 GLU 20 HB2 GLU 20 3.965 15.212 1.316 168 HB3 GLU 20 HB3 GLU 20 5.402 14.212 1.451 169 HG2 GLU 20 HG2 GLU 20 5.145 16.705 -0.192 170 HG3 GLU 20 HG3 GLU 20 5.952 16.570 1.374 171 H GLN 21 H GLN 21 2.473 13.230 1.033 172 HA GLN 21 HA GLN 21 3.535 10.733 1.723 173 HB2 GLN 21 HB2 GLN 21 0.784 11.893 1.890 174 HB3 GLN 21 HB3 GLN 21 1.037 10.186 2.217 175 HG2 GLN 21 HG2 GLN 21 2.325 12.490 3.664 176 HG3 GLN 21 HG3 GLN 21 1.033 11.460 4.273 177 HE21 GLN 21 HE21 GLN 21 4.422 11.719 3.621 178 HE22 GLN 21 HE22 GLN 21 4.900 10.271 4.432 179 H ALA 22 H ALA 22 1.240 11.698 -0.773 180 HA ALA 22 HA ALA 22 0.590 9.193 -1.751 181 HB1 ALA 22 HB1 ALA 22 0.007 10.289 -3.837 182 HB2 ALA 22 HB2 ALA 22 0.939 11.710 -3.369 183 HB3 ALA 22 HB3 ALA 22 -0.505 11.264 -2.461 184 H ASN 23 H ASN 23 3.217 11.315 -2.986 185 HA ASN 23 HA ASN 23 4.250 9.427 -4.772 186 HB2 ASN 23 HB2 ASN 23 5.479 11.877 -3.519 187 HB3 ASN 23 HB3 ASN 23 6.323 10.894 -4.709 188 HD21 ASN 23 HD21 ASN 23 6.413 12.566 -6.191 189 HD22 ASN 23 HD22 ASN 23 5.024 13.120 -7.047 190 H HIS 24 H HIS 24 5.134 10.131 -1.421 191 HA HIS 24 HA HIS 24 7.400 8.442 -1.513 192 HB2 HIS 24 HB2 HIS 24 5.887 9.482 0.856 193 HB3 HIS 24 HB3 HIS 24 7.389 8.567 0.958 194 HD1 HIS 24 HD1 HIS 24 8.700 10.076 -1.595 195 HD2 HIS 24 HD2 HIS 24 6.989 11.797 1.745 196 HE1 HIS 24 HE1 HIS 24 9.703 12.371 -1.453 197 HE2 HIS 24 HE2 HIS 24 8.402 13.502 0.384 198 H ALA 25 H ALA 25 4.050 7.960 -0.447 199 HA ALA 25 HA ALA 25 4.299 5.358 0.498 200 HB1 ALA 25 HB1 ALA 25 1.905 5.192 0.242 201 HB2 ALA 25 HB2 ALA 25 1.901 6.585 -0.842 202 HB3 ALA 25 HB3 ALA 25 2.333 6.790 0.856 203 H ILE 26 H ILE 26 3.661 6.503 -2.825 204 HA ILE 26 HA ILE 26 3.221 3.875 -3.806 205 HB ILE 26 HB ILE 26 3.496 4.809 -6.087 206 HG12 ILE 26 HG12 ILE 26 4.025 7.408 -4.639 207 HG13 ILE 26 HG13 ILE 26 5.215 6.497 -5.560 208 HG21 ILE 26 HG21 ILE 26 1.710 6.396 -4.248 209 HG22 ILE 26 HG22 ILE 26 1.326 4.856 -5.016 210 HG23 ILE 26 HG23 ILE 26 1.545 6.301 -6.002 211 HD11 ILE 26 HD11 ILE 26 3.903 6.868 -7.597 212 HD12 ILE 26 HD12 ILE 26 4.381 8.386 -6.834 213 HD13 ILE 26 HD13 ILE 26 2.728 7.792 -6.660 214 H GLU 27 H GLU 27 6.113 5.877 -3.539 215 HA GLU 27 HA GLU 27 7.833 4.158 -4.973 216 HB2 GLU 27 HB2 GLU 27 8.141 6.429 -3.159 217 HB3 GLU 27 HB3 GLU 27 9.434 5.250 -2.996 218 HG2 GLU 27 HG2 GLU 27 10.093 6.926 -4.571 219 HG3 GLU 27 HG3 GLU 27 9.836 5.408 -5.423 220 H LYS 28 H LYS 28 7.055 4.349 -1.509 221 HA LYS 28 HA LYS 28 8.692 2.183 -0.719 222 HB2 LYS 28 HB2 LYS 28 7.768 3.936 0.817 223 HB3 LYS 28 HB3 LYS 28 6.174 3.238 0.608 224 HG2 LYS 28 HG2 LYS 28 8.431 1.572 1.675 225 HG3 LYS 28 HG3 LYS 28 7.552 2.675 2.731 226 HD2 LYS 28 HD2 LYS 28 5.432 1.533 2.014 227 HD3 LYS 28 HD3 LYS 28 6.427 0.354 1.160 228 HE2 LYS 28 HE2 LYS 28 6.566 0.930 4.123 229 HE3 LYS 28 HE3 LYS 28 5.710 -0.427 3.397 230 HZ1 LYS 28 HZ1 LYS 28 7.815 -1.247 2.541 231 HZ2 LYS 28 HZ2 LYS 28 7.885 -1.075 4.213 232 HZ3 LYS 28 HZ3 LYS 28 8.636 0.064 3.220 233 H GLY 29 H GLY 29 5.246 2.442 -1.566 234 HA2 GLY 29 HA2 GLY 29 4.492 -0.187 -1.137 235 HA3 GLY 29 HA3 GLY 29 3.739 0.916 -2.274 236 H GLU 30 H GLU 30 5.779 1.319 -4.043 237 HA GLU 30 HA GLU 30 5.530 -0.914 -5.740 238 HB2 GLU 30 HB2 GLU 30 5.965 1.317 -6.626 239 HB3 GLU 30 HB3 GLU 30 7.552 1.329 -5.868 240 HG2 GLU 30 HG2 GLU 30 8.173 -0.628 -7.264 241 HG3 GLU 30 HG3 GLU 30 6.626 -0.479 -8.089 242 H HIS 31 H HIS 31 8.233 0.181 -3.739 243 HA HIS 31 HA HIS 31 10.070 -1.781 -4.600 244 HB2 HIS 31 HB2 HIS 31 10.530 0.431 -3.376 245 HB3 HIS 31 HB3 HIS 31 10.109 -0.432 -1.904 246 HD1 HIS 31 HD1 HIS 31 12.943 0.446 -3.884 247 HD2 HIS 31 HD2 HIS 31 11.857 -2.888 -1.654 248 HE1 HIS 31 HE1 HIS 31 15.085 -0.775 -3.415 249 HE2 HIS 31 HE2 HIS 31 14.425 -2.704 -1.941 250 H GLN 32 H GLN 32 7.902 -1.600 -1.810 251 HA GLN 32 HA GLN 32 8.701 -4.123 -0.760 252 HB2 GLN 32 HB2 GLN 32 6.998 -3.838 0.876 253 HB3 GLN 32 HB3 GLN 32 7.632 -2.234 0.551 254 HG2 GLN 32 HG2 GLN 32 5.399 -1.799 0.589 255 HG3 GLN 32 HG3 GLN 32 5.614 -2.138 -1.129 256 HE21 GLN 32 HE21 GLN 32 3.557 -2.845 -1.487 257 HE22 GLN 32 HE22 GLN 32 2.929 -4.314 -0.827 258 H LEU 33 H LEU 33 6.223 -3.120 -3.061 259 HA LEU 33 HA LEU 33 4.792 -5.564 -3.080 260 HB2 LEU 33 HB2 LEU 33 3.841 -3.489 -3.976 261 HB3 LEU 33 HB3 LEU 33 5.067 -3.440 -5.220 262 HG LEU 33 HG LEU 33 2.633 -4.239 -5.792 263 HD11 LEU 33 HD11 LEU 33 5.064 -5.755 -6.744 264 HD12 LEU 33 HD12 LEU 33 4.480 -4.219 -7.383 265 HD13 LEU 33 HD13 LEU 33 3.508 -5.677 -7.570 266 HD21 LEU 33 HD21 LEU 33 2.245 -6.600 -5.591 267 HD22 LEU 33 HD22 LEU 33 2.596 -5.962 -3.983 268 HD23 LEU 33 HD23 LEU 33 3.833 -6.853 -4.872 269 H LEU 34 H LEU 34 7.481 -4.313 -5.058 270 HA LEU 34 HA LEU 34 7.707 -6.615 -6.689 271 HB2 LEU 34 HB2 LEU 34 9.801 -4.582 -5.901 272 HB3 LEU 34 HB3 LEU 34 9.965 -5.751 -7.194 273 HG LEU 34 HG LEU 34 7.969 -3.488 -7.122 274 HD11 LEU 34 HD11 LEU 34 10.248 -2.700 -7.422 275 HD12 LEU 34 HD12 LEU 34 9.328 -2.539 -8.916 276 HD13 LEU 34 HD13 LEU 34 10.486 -3.855 -8.734 277 HD21 LEU 34 HD21 LEU 34 7.098 -5.402 -8.343 278 HD22 LEU 34 HD22 LEU 34 8.593 -5.512 -9.272 279 HD23 LEU 34 HD23 LEU 34 7.537 -4.112 -9.461 280 H TYR 35 H TYR 35 8.764 -5.751 -3.542 281 HA TYR 35 HA TYR 35 10.791 -7.710 -3.195 282 HB2 TYR 35 HB2 TYR 35 10.661 -5.726 -1.756 283 HB3 TYR 35 HB3 TYR 35 9.109 -6.267 -1.135 284 HD1 TYR 35 HD1 TYR 35 12.699 -7.209 -1.325 285 HD2 TYR 35 HD2 TYR 35 9.007 -7.661 0.738 286 HE1 TYR 35 HE1 TYR 35 13.854 -8.435 0.465 287 HE2 TYR 35 HE2 TYR 35 10.153 -8.891 2.530 288 HH TYR 35 HH TYR 35 13.579 -9.018 2.756 289 H LEU 36 H LEU 36 7.391 -7.549 -2.047 290 HA LEU 36 HA LEU 36 7.387 -10.168 -1.062 291 HB2 LEU 36 HB2 LEU 36 4.970 -9.932 -0.862 292 HB3 LEU 36 HB3 LEU 36 5.818 -8.544 -0.224 293 HG LEU 36 HG LEU 36 5.285 -7.519 -2.581 294 HD11 LEU 36 HD11 LEU 36 3.140 -9.606 -2.278 295 HD12 LEU 36 HD12 LEU 36 4.374 -9.551 -3.539 296 HD13 LEU 36 HD13 LEU 36 3.144 -8.287 -3.450 297 HD21 LEU 36 HD21 LEU 36 4.502 -6.632 -0.468 298 HD22 LEU 36 HD22 LEU 36 3.242 -7.865 -0.397 299 HD23 LEU 36 HD23 LEU 36 3.196 -6.629 -1.654 300 H GLN 37 H GLN 37 6.847 -8.898 -4.262 301 HA GLN 37 HA GLN 37 5.582 -11.014 -5.525 302 HB2 GLN 37 HB2 GLN 37 7.788 -9.180 -6.461 303 HB3 GLN 37 HB3 GLN 37 7.105 -10.405 -7.518 304 HG2 GLN 37 HG2 GLN 37 5.507 -8.231 -6.190 305 HG3 GLN 37 HG3 GLN 37 6.160 -8.133 -7.824 306 HE21 GLN 37 HE21 GLN 37 3.401 -8.047 -6.949 307 HE22 GLN 37 HE22 GLN 37 2.610 -9.361 -7.741 308 H HIS 38 H HIS 38 8.962 -10.613 -4.583 309 HA HIS 38 HA HIS 38 9.954 -13.002 -5.718 310 HB2 HIS 38 HB2 HIS 38 10.944 -11.285 -3.446 311 HB3 HIS 38 HB3 HIS 38 11.790 -12.738 -3.962 312 HD1 HIS 38 HD1 HIS 38 13.030 -12.642 -6.220 313 HD2 HIS 38 HD2 HIS 38 11.149 -9.098 -5.166 314 HE1 HIS 38 HE1 HIS 38 13.898 -10.923 -7.819 315 HE2 HIS 38 HE2 HIS 38 12.950 -8.743 -6.984 316 H GLN 39 H GLN 39 8.744 -12.183 -2.465 317 HA GLN 39 HA GLN 39 9.070 -14.603 -1.190 318 HB2 GLN 39 HB2 GLN 39 6.780 -12.653 -0.882 319 HB3 GLN 39 HB3 GLN 39 7.208 -13.911 0.264 320 HG2 GLN 39 HG2 GLN 39 9.360 -12.812 0.656 321 HG3 GLN 39 HG3 GLN 39 8.911 -11.553 -0.495 322 HE21 GLN 39 HE21 GLN 39 9.528 -11.437 2.392 323 HE22 GLN 39 HE22 GLN 39 8.161 -10.658 3.110 324 H LEU 40 H LEU 40 6.170 -13.452 -2.936 325 HA LEU 40 HA LEU 40 4.562 -15.632 -2.752 326 HB2 LEU 40 HB2 LEU 40 4.122 -13.356 -3.804 327 HB3 LEU 40 HB3 LEU 40 4.869 -13.976 -5.257 328 HG LEU 40 HG LEU 40 2.341 -13.951 -5.222 329 HD11 LEU 40 HD11 LEU 40 3.660 -16.616 -5.676 330 HD12 LEU 40 HD12 LEU 40 3.558 -15.291 -6.836 331 HD13 LEU 40 HD13 LEU 40 2.092 -16.117 -6.308 332 HD21 LEU 40 HD21 LEU 40 2.062 -14.692 -2.901 333 HD22 LEU 40 HD22 LEU 40 2.701 -16.278 -3.342 334 HD23 LEU 40 HD23 LEU 40 1.183 -15.713 -4.039 335 H ASP 41 H ASP 41 6.997 -15.060 -5.308 336 HA ASP 41 HA ASP 41 6.508 -17.474 -6.685 337 HB2 ASP 41 HB2 ASP 41 7.760 -15.711 -7.771 338 HB3 ASP 41 HB3 ASP 41 9.043 -15.835 -6.568 339 H GLU 42 H GLU 42 8.653 -16.676 -4.023 340 HA GLU 42 HA GLU 42 10.060 -19.095 -3.926 341 HB2 GLU 42 HB2 GLU 42 10.824 -17.063 -2.796 342 HB3 GLU 42 HB3 GLU 42 9.413 -17.089 -1.754 343 HG2 GLU 42 HG2 GLU 42 10.192 -19.086 -0.667 344 HG3 GLU 42 HG3 GLU 42 11.540 -19.217 -1.796 345 H LEU 43 H LEU 43 6.941 -18.050 -2.404 346 HA LEU 43 HA LEU 43 6.623 -20.275 -0.781 347 HB2 LEU 43 HB2 LEU 43 5.437 -18.199 -0.444 348 HB3 LEU 43 HB3 LEU 43 4.673 -18.342 -2.015 349 HG LEU 43 HG LEU 43 3.553 -20.434 -1.168 350 HD11 LEU 43 HD11 LEU 43 5.040 -20.947 0.650 351 HD12 LEU 43 HD12 LEU 43 3.393 -20.719 1.239 352 HD13 LEU 43 HD13 LEU 43 4.592 -19.447 1.464 353 HD21 LEU 43 HD21 LEU 43 1.844 -19.220 0.066 354 HD22 LEU 43 HD22 LEU 43 2.387 -18.295 -1.332 355 HD23 LEU 43 HD23 LEU 43 2.952 -17.867 0.282 356 H ASN 44 H ASN 44 5.884 -19.660 -4.161 357 HA ASN 44 HA ASN 44 3.976 -21.687 -4.567 358 HB2 ASN 44 HB2 ASN 44 5.987 -20.516 -6.506 359 HB3 ASN 44 HB3 ASN 44 4.631 -21.530 -6.970 360 HD21 ASN 44 HD21 ASN 44 5.256 -18.821 -7.759 361 HD22 ASN 44 HD22 ASN 44 3.903 -17.853 -7.287 362 H GLU 45 H GLU 45 7.441 -21.706 -4.496 363 HA GLU 45 HA GLU 45 7.665 -24.426 -5.416 364 HB2 GLU 45 HB2 GLU 45 9.375 -22.739 -5.937 365 HB3 GLU 45 HB3 GLU 45 9.744 -22.594 -4.224 366 HG2 GLU 45 HG2 GLU 45 11.390 -23.962 -5.335 367 HG3 GLU 45 HG3 GLU 45 10.464 -24.927 -4.186 368 H ASN 46 H ASN 46 8.011 -22.732 -2.289 369 HA ASN 46 HA ASN 46 8.897 -25.095 -0.899 370 HB2 ASN 46 HB2 ASN 46 7.979 -22.397 0.114 371 HB3 ASN 46 HB3 ASN 46 8.599 -23.679 1.145 372 HD21 ASN 46 HD21 ASN 46 9.607 -20.995 0.691 373 HD22 ASN 46 HD22 ASN 46 11.230 -21.184 0.139 374 H LYS 47 H LYS 47 5.960 -23.481 -1.467 375 HA LYS 47 HA LYS 47 3.698 -23.847 -0.853 376 HB2 LYS 47 HB2 LYS 47 4.583 -26.147 -1.859 377 HB3 LYS 47 HB3 LYS 47 4.373 -26.686 -0.202 378 HG2 LYS 47 HG2 LYS 47 2.410 -27.259 -1.418 379 HG3 LYS 47 HG3 LYS 47 2.005 -25.945 -0.315 380 HD2 LYS 47 HD2 LYS 47 0.999 -25.616 -2.543 381 HD3 LYS 47 HD3 LYS 47 2.150 -24.338 -2.156 382 HE2 LYS 47 HE2 LYS 47 3.793 -25.255 -3.582 383 HE3 LYS 47 HE3 LYS 47 2.899 -26.765 -3.771 384 HZ1 LYS 47 HZ1 LYS 47 2.714 -25.348 -5.712 385 HZ2 LYS 47 HZ2 LYS 47 2.052 -24.103 -4.791 386 HZ3 LYS 47 HZ3 LYS 47 1.205 -25.553 -4.982 387 H SER 48 H SER 48 5.835 -23.385 1.155 388 HA SER 48 HA SER 48 5.209 -24.689 3.591 389 HB2 SER 48 HB2 SER 48 7.360 -23.670 3.405 390 HB3 SER 48 HB3 SER 48 6.655 -22.082 3.112 391 HG SER 48 HG SER 48 7.400 -23.018 5.396 392 H LYS 49 H LYS 49 3.464 -24.548 4.788 393 HA LYS 49 HA LYS 49 1.450 -22.645 4.403 394 HB2 LYS 49 HB2 LYS 49 0.712 -23.561 6.794 395 HB3 LYS 49 HB3 LYS 49 0.502 -24.505 5.338 396 HG2 LYS 49 HG2 LYS 49 1.372 -26.045 6.818 397 HG3 LYS 49 HG3 LYS 49 2.816 -25.541 5.964 398 HD2 LYS 49 HD2 LYS 49 3.279 -23.950 7.824 399 HD3 LYS 49 HD3 LYS 49 1.870 -24.609 8.658 400 HE2 LYS 49 HE2 LYS 49 2.927 -26.856 8.561 401 HE3 LYS 49 HE3 LYS 49 4.358 -26.109 7.850 402 HZ1 LYS 49 HZ1 LYS 49 4.552 -26.493 10.256 403 HZ2 LYS 49 HZ2 LYS 49 3.267 -25.434 10.532 404 HZ3 LYS 49 HZ3 LYS 49 4.712 -24.859 9.853 405 H GLU 50 H GLU 50 3.940 -22.825 6.825 406 HA GLU 50 HA GLU 50 3.087 -20.526 8.251 407 HB2 GLU 50 HB2 GLU 50 5.462 -20.524 9.180 408 HB3 GLU 50 HB3 GLU 50 4.488 -21.955 9.474 409 HG2 GLU 50 HG2 GLU 50 5.658 -22.825 7.302 410 HG3 GLU 50 HG3 GLU 50 6.855 -21.597 7.712 411 H LEU 51 H LEU 51 5.394 -20.935 5.588 412 HA LEU 51 HA LEU 51 6.165 -18.252 5.448 413 HB2 LEU 51 HB2 LEU 51 7.252 -20.083 4.194 414 HB3 LEU 51 HB3 LEU 51 5.832 -20.214 3.178 415 HG LEU 51 HG LEU 51 6.240 -17.938 2.325 416 HD11 LEU 51 HD11 LEU 51 8.755 -18.083 3.976 417 HD12 LEU 51 HD12 LEU 51 7.385 -17.006 4.254 418 HD13 LEU 51 HD13 LEU 51 8.364 -16.833 2.797 419 HD21 LEU 51 HD21 LEU 51 8.606 -19.792 2.083 420 HD22 LEU 51 HD22 LEU 51 8.195 -18.485 0.971 421 HD23 LEU 51 HD23 LEU 51 7.123 -19.875 1.133 422 H GLN 52 H GLN 52 3.416 -19.961 3.974 423 HA GLN 52 HA GLN 52 2.330 -17.838 2.519 424 HB2 GLN 52 HB2 GLN 52 1.332 -19.904 2.078 425 HB3 GLN 52 HB3 GLN 52 1.133 -20.289 3.780 426 HG2 GLN 52 HG2 GLN 52 -0.718 -18.820 3.995 427 HG3 GLN 52 HG3 GLN 52 -0.404 -18.084 2.429 428 HE21 GLN 52 HE21 GLN 52 0.036 -20.551 1.033 429 HE22 GLN 52 HE22 GLN 52 -1.509 -21.303 0.857 430 H GLU 53 H GLU 53 1.863 -18.754 5.902 431 HA GLU 53 HA GLU 53 -0.080 -16.945 6.648 432 HB2 GLU 53 HB2 GLU 53 0.681 -18.831 7.998 433 HB3 GLU 53 HB3 GLU 53 2.258 -18.080 8.188 434 HG2 GLU 53 HG2 GLU 53 1.218 -17.632 10.174 435 HG3 GLU 53 HG3 GLU 53 0.975 -16.152 9.244 436 H LYS 54 H LYS 54 3.440 -16.641 6.711 437 HA LYS 54 HA LYS 54 3.525 -14.025 7.798 438 HB2 LYS 54 HB2 LYS 54 5.562 -15.450 6.074 439 HB3 LYS 54 HB3 LYS 54 5.856 -13.962 6.954 440 HG2 LYS 54 HG2 LYS 54 5.080 -16.567 8.247 441 HG3 LYS 54 HG3 LYS 54 6.739 -16.006 8.057 442 HD2 LYS 54 HD2 LYS 54 4.683 -14.301 9.438 443 HD3 LYS 54 HD3 LYS 54 5.518 -15.585 10.305 444 HE2 LYS 54 HE2 LYS 54 6.716 -13.566 10.716 445 HE3 LYS 54 HE3 LYS 54 7.688 -14.527 9.611 446 HZ1 LYS 54 HZ1 LYS 54 5.903 -12.313 8.751 447 HZ2 LYS 54 HZ2 LYS 54 7.043 -13.127 7.800 448 HZ3 LYS 54 HZ3 LYS 54 7.549 -12.127 9.056 449 H ILE 55 H ILE 55 3.606 -15.204 4.512 450 HA ILE 55 HA ILE 55 4.069 -12.710 3.260 451 HB ILE 55 HB ILE 55 2.804 -15.203 2.110 452 HG12 ILE 55 HG12 ILE 55 5.603 -14.076 1.871 453 HG13 ILE 55 HG13 ILE 55 5.139 -15.425 2.900 454 HG21 ILE 55 HG21 ILE 55 2.129 -13.251 0.800 455 HG22 ILE 55 HG22 ILE 55 3.286 -14.236 -0.098 456 HG23 ILE 55 HG23 ILE 55 3.814 -12.740 0.677 457 HD11 ILE 55 HD11 ILE 55 4.960 -15.361 -0.103 458 HD12 ILE 55 HD12 ILE 55 4.535 -16.722 0.938 459 HD13 ILE 55 HD13 ILE 55 6.207 -16.171 0.845 460 H ILE 56 H ILE 56 0.984 -14.484 3.703 461 HA ILE 56 HA ILE 56 -0.520 -12.402 2.486 462 HB ILE 56 HB ILE 56 -1.363 -14.732 2.567 463 HG12 ILE 56 HG12 ILE 56 -3.206 -12.761 3.936 464 HG13 ILE 56 HG13 ILE 56 -2.908 -12.834 2.204 465 HG21 ILE 56 HG21 ILE 56 -0.643 -15.301 4.836 466 HG22 ILE 56 HG22 ILE 56 -2.353 -15.643 4.586 467 HG23 ILE 56 HG23 ILE 56 -1.865 -14.210 5.488 468 HD11 ILE 56 HD11 ILE 56 -5.016 -13.896 2.792 469 HD12 ILE 56 HD12 ILE 56 -4.165 -15.007 3.868 470 HD13 ILE 56 HD13 ILE 56 -3.879 -15.070 2.128 471 H ARG 57 H ARG 57 0.425 -13.048 5.802 472 HA ARG 57 HA ARG 57 -1.314 -11.124 6.972 473 HB2 ARG 57 HB2 ARG 57 1.007 -12.715 7.913 474 HB3 ARG 57 HB3 ARG 57 0.620 -11.264 8.823 475 HG2 ARG 57 HG2 ARG 57 -0.417 -13.483 9.590 476 HG3 ARG 57 HG3 ARG 57 -1.477 -12.077 9.467 477 HD2 ARG 57 HD2 ARG 57 -2.326 -12.834 7.353 478 HD3 ARG 57 HD3 ARG 57 -1.130 -14.128 7.300 479 HE ARG 57 HE ARG 57 -2.408 -15.382 8.702 480 HH11 ARG 57 HH11 ARG 57 -3.699 -12.094 8.697 481 HH12 ARG 57 HH12 ARG 57 -5.243 -12.556 9.319 482 HH21 ARG 57 HH21 ARG 57 -4.485 -15.989 9.501 483 HH22 ARG 57 HH22 ARG 57 -5.694 -14.783 9.777 484 H GLU 58 H GLU 58 2.098 -10.935 5.918 485 HA GLU 58 HA GLU 58 2.367 -8.234 6.704 486 HB2 GLU 58 HB2 GLU 58 3.847 -9.782 4.579 487 HB3 GLU 58 HB3 GLU 58 4.282 -8.163 5.107 488 HG2 GLU 58 HG2 GLU 58 4.192 -10.581 6.878 489 HG3 GLU 58 HG3 GLU 58 5.650 -9.923 6.132 490 H LEU 59 H LEU 59 1.070 -9.786 3.844 491 HA LEU 59 HA LEU 59 0.930 -7.473 2.208 492 HB2 LEU 59 HB2 LEU 59 0.628 -9.909 1.489 493 HB3 LEU 59 HB3 LEU 59 -0.978 -9.818 2.169 494 HG LEU 59 HG LEU 59 -0.986 -9.575 -0.269 495 HD11 LEU 59 HD11 LEU 59 -2.359 -7.602 -0.497 496 HD12 LEU 59 HD12 LEU 59 -1.861 -7.082 1.114 497 HD13 LEU 59 HD13 LEU 59 -2.792 -8.565 0.915 498 HD21 LEU 59 HD21 LEU 59 1.170 -8.546 -0.611 499 HD22 LEU 59 HD22 LEU 59 0.612 -7.074 0.186 500 HD23 LEU 59 HD23 LEU 59 -0.099 -7.573 -1.349 501 H ASP 60 H ASP 60 -1.280 -9.038 4.482 502 HA ASP 60 HA ASP 60 -3.477 -7.326 4.186 503 HB2 ASP 60 HB2 ASP 60 -3.724 -9.394 5.390 504 HB3 ASP 60 HB3 ASP 60 -2.520 -8.903 6.577 505 H VAL 61 H VAL 61 -0.689 -7.161 6.363 506 HA VAL 61 HA VAL 61 -1.384 -4.865 7.760 507 HB VAL 61 HB VAL 61 1.255 -6.108 7.033 508 HG11 VAL 61 HG11 VAL 61 0.813 -3.889 9.020 509 HG12 VAL 61 HG12 VAL 61 1.655 -3.753 7.472 510 HG13 VAL 61 HG13 VAL 61 2.320 -4.773 8.748 511 HG21 VAL 61 HG21 VAL 61 -0.327 -6.106 9.593 512 HG22 VAL 61 HG22 VAL 61 1.245 -6.869 9.358 513 HG23 VAL 61 HG23 VAL 61 -0.159 -7.452 8.465 514 H VAL 62 H VAL 62 0.549 -5.254 4.788 515 HA VAL 62 HA VAL 62 1.090 -2.471 4.530 516 HB VAL 62 HB VAL 62 1.349 -4.677 2.483 517 HG11 VAL 62 HG11 VAL 62 2.415 -1.853 2.437 518 HG12 VAL 62 HG12 VAL 62 1.145 -2.499 1.400 519 HG13 VAL 62 HG13 VAL 62 2.792 -3.111 1.260 520 HG21 VAL 62 HG21 VAL 62 2.772 -4.973 4.447 521 HG22 VAL 62 HG22 VAL 62 3.396 -3.334 4.251 522 HG23 VAL 62 HG23 VAL 62 3.736 -4.560 3.029 523 H CYS 63 H CYS 63 -1.296 -4.603 3.008 524 HA CYS 63 HA CYS 63 -2.223 -2.592 1.182 525 HB2 CYS 63 HB2 CYS 63 -4.245 -3.995 0.871 526 HB3 CYS 63 HB3 CYS 63 -2.756 -4.913 0.703 527 HG CYS 63 HG CYS 63 -2.940 -6.268 3.009 528 H ALA 64 H ALA 64 -3.123 -3.472 4.483 529 HA ALA 64 HA ALA 64 -5.423 -1.879 4.699 530 HB1 ALA 64 HB1 ALA 64 -4.943 -3.695 6.221 531 HB2 ALA 64 HB2 ALA 64 -5.071 -2.182 7.125 532 HB3 ALA 64 HB3 ALA 64 -3.484 -2.876 6.770 533 H MET 65 H MET 65 -2.002 -1.241 5.508 534 HA MET 65 HA MET 65 -2.588 1.324 6.608 535 HB2 MET 65 HB2 MET 65 -0.243 1.667 6.817 536 HB3 MET 65 HB3 MET 65 -0.524 -0.038 7.132 537 HG2 MET 65 HG2 MET 65 0.255 -0.621 4.939 538 HG3 MET 65 HG3 MET 65 0.411 1.078 4.506 539 HE1 MET 65 HE1 MET 65 1.789 -1.896 6.502 540 HE2 MET 65 HE2 MET 65 1.401 -0.812 7.839 541 HE3 MET 65 HE3 MET 65 3.086 -1.194 7.470 542 H ILE 66 H ILE 66 -1.566 0.177 3.440 543 HA ILE 66 HA ILE 66 -1.147 2.697 2.272 544 HB ILE 66 HB ILE 66 -1.466 -0.072 1.268 545 HG12 ILE 66 HG12 ILE 66 0.507 0.528 -0.072 546 HG13 ILE 66 HG13 ILE 66 0.344 2.206 0.425 547 HG21 ILE 66 HG21 ILE 66 -3.146 0.998 -0.118 548 HG22 ILE 66 HG22 ILE 66 -1.727 0.581 -1.079 549 HG23 ILE 66 HG23 ILE 66 -1.995 2.251 -0.580 550 HD11 ILE 66 HD11 ILE 66 2.118 0.991 1.616 551 HD12 ILE 66 HD12 ILE 66 0.897 -0.088 2.294 552 HD13 ILE 66 HD13 ILE 66 0.879 1.631 2.690 553 H GLU 67 H GLU 67 -4.053 0.691 2.523 554 HA GLU 67 HA GLU 67 -5.660 2.418 0.917 555 HB2 GLU 67 HB2 GLU 67 -6.400 0.255 2.878 556 HB3 GLU 67 HB3 GLU 67 -7.587 1.155 1.945 557 HG2 GLU 67 HG2 GLU 67 -6.483 0.365 -0.126 558 HG3 GLU 67 HG3 GLU 67 -5.418 -0.628 0.870 559 H GLY 68 H GLY 68 -4.989 2.179 4.351 560 HA2 GLY 68 HA2 GLY 68 -7.043 3.918 5.240 561 HA3 GLY 68 HA3 GLY 68 -5.590 3.493 6.131 562 H ALA 69 H ALA 69 -3.644 4.422 4.535 563 HA ALA 69 HA ALA 69 -3.652 7.215 5.123 564 HB1 ALA 69 HB1 ALA 69 -1.584 5.894 5.135 565 HB2 ALA 69 HB2 ALA 69 -1.462 7.267 4.036 566 HB3 ALA 69 HB3 ALA 69 -1.733 5.648 3.395 567 H GLN 70 H GLN 70 -4.187 5.316 2.277 568 HA GLN 70 HA GLN 70 -4.096 7.410 0.339 569 HB2 GLN 70 HB2 GLN 70 -4.196 4.785 0.054 570 HB3 GLN 70 HB3 GLN 70 -5.926 5.074 -0.026 571 HG2 GLN 70 HG2 GLN 70 -4.076 6.635 -1.770 572 HG3 GLN 70 HG3 GLN 70 -4.508 4.983 -2.196 573 HE21 GLN 70 HE21 GLN 70 -6.573 4.526 -2.805 574 HE22 GLN 70 HE22 GLN 70 -7.718 5.751 -3.226 575 H GLY 71 H GLY 71 -6.617 6.066 2.295 576 HA2 GLY 71 HA2 GLY 71 -8.791 7.561 1.159 577 HA3 GLY 71 HA3 GLY 71 -8.839 6.707 2.693 578 H ALA 72 H ALA 72 -6.772 8.028 3.972 579 HA ALA 72 HA ALA 72 -8.269 10.269 5.002 580 HB1 ALA 72 HB1 ALA 72 -6.488 10.465 6.653 581 HB2 ALA 72 HB2 ALA 72 -5.506 9.313 5.750 582 HB3 ALA 72 HB3 ALA 72 -7.011 8.788 6.503 583 H LEU 73 H LEU 73 -5.559 9.811 2.838 584 HA LEU 73 HA LEU 73 -4.453 12.432 3.183 585 HB2 LEU 73 HB2 LEU 73 -3.027 10.557 2.665 586 HB3 LEU 73 HB3 LEU 73 -3.960 10.208 1.224 587 HG LEU 73 HG LEU 73 -3.255 12.509 0.404 588 HD11 LEU 73 HD11 LEU 73 -1.330 12.162 2.687 589 HD12 LEU 73 HD12 LEU 73 -2.497 13.466 2.452 590 HD13 LEU 73 HD13 LEU 73 -1.119 13.303 1.361 591 HD21 LEU 73 HD21 LEU 73 -2.409 10.424 -0.491 592 HD22 LEU 73 HD22 LEU 73 -1.192 10.351 0.789 593 HD23 LEU 73 HD23 LEU 73 -1.129 11.639 -0.417 594 H GLU 74 H GLU 74 -6.207 10.587 0.731 595 HA GLU 74 HA GLU 74 -6.361 12.610 -1.157 596 HB2 GLU 74 HB2 GLU 74 -7.882 11.234 -2.326 597 HB3 GLU 74 HB3 GLU 74 -6.794 10.143 -1.492 598 HG2 GLU 74 HG2 GLU 74 -8.761 9.115 -1.085 599 HG3 GLU 74 HG3 GLU 74 -8.690 10.182 0.317 600 H ARG 75 H ARG 75 -8.441 11.798 1.561 601 HA ARG 75 HA ARG 75 -10.555 13.549 1.041 602 HB2 ARG 75 HB2 ARG 75 -10.284 11.746 2.875 603 HB3 ARG 75 HB3 ARG 75 -9.513 13.016 3.811 604 HG2 ARG 75 HG2 ARG 75 -11.693 13.102 4.544 605 HG3 ARG 75 HG3 ARG 75 -11.659 14.364 3.313 606 HD2 ARG 75 HD2 ARG 75 -12.650 11.535 2.914 607 HD3 ARG 75 HD3 ARG 75 -13.670 12.947 3.139 608 HE ARG 75 HE ARG 75 -12.036 12.334 0.765 609 HH11 ARG 75 HH11 ARG 75 -14.486 14.299 2.343 610 HH12 ARG 75 HH12 ARG 75 -15.098 14.961 0.871 611 HH21 ARG 75 HH21 ARG 75 -12.873 13.214 -1.210 612 HH22 ARG 75 HH22 ARG 75 -14.188 14.338 -1.149 613 H GLU 76 H GLU 76 -7.487 14.089 2.684 614 HA GLU 76 HA GLU 76 -7.969 16.817 3.380 615 HB2 GLU 76 HB2 GLU 76 -5.349 15.382 2.922 616 HB3 GLU 76 HB3 GLU 76 -5.496 16.986 3.622 617 HG2 GLU 76 HG2 GLU 76 -6.608 14.447 4.779 618 HG3 GLU 76 HG3 GLU 76 -5.151 15.283 5.315 619 H LEU 77 H LEU 77 -5.969 15.454 0.771 620 HA LEU 77 HA LEU 77 -5.448 17.934 -0.430 621 HB2 LEU 77 HB2 LEU 77 -4.663 16.632 -2.404 622 HB3 LEU 77 HB3 LEU 77 -3.939 16.182 -0.878 623 HG LEU 77 HG LEU 77 -5.656 14.272 -0.860 624 HD11 LEU 77 HD11 LEU 77 -7.077 15.050 -2.673 625 HD12 LEU 77 HD12 LEU 77 -6.349 13.499 -3.094 626 HD13 LEU 77 HD13 LEU 77 -5.715 14.988 -3.791 627 HD21 LEU 77 HD21 LEU 77 -3.412 14.304 -2.873 628 HD22 LEU 77 HD22 LEU 77 -4.158 12.861 -2.184 629 HD23 LEU 77 HD23 LEU 77 -3.258 13.969 -1.149 630 H LYS 78 H LYS 78 -8.331 16.135 -0.560 631 HA LYS 78 HA LYS 78 -9.130 16.782 -3.215 632 HB2 LYS 78 HB2 LYS 78 -10.401 15.560 -0.843 633 HB3 LYS 78 HB3 LYS 78 -11.473 16.230 -2.081 634 HG2 LYS 78 HG2 LYS 78 -9.295 14.209 -2.594 635 HG3 LYS 78 HG3 LYS 78 -10.993 13.798 -2.341 636 HD2 LYS 78 HD2 LYS 78 -11.619 15.003 -4.327 637 HD3 LYS 78 HD3 LYS 78 -9.979 15.618 -4.525 638 HE2 LYS 78 HE2 LYS 78 -10.438 13.755 -6.043 639 HE3 LYS 78 HE3 LYS 78 -9.151 13.374 -4.904 640 HZ1 LYS 78 HZ1 LYS 78 -10.662 12.043 -3.619 641 HZ2 LYS 78 HZ2 LYS 78 -10.795 11.556 -5.230 642 HZ3 LYS 78 HZ3 LYS 78 -11.981 12.542 -4.549 643 H ARG 79 H ARG 79 -8.772 18.697 -0.538 644 HA ARG 79 HA ARG 79 -11.086 20.139 -0.233 645 HB2 ARG 79 HB2 ARG 79 -9.080 20.372 1.176 646 HB3 ARG 79 HB3 ARG 79 -8.291 21.267 -0.113 647 HG2 ARG 79 HG2 ARG 79 -9.921 23.045 0.076 648 HG3 ARG 79 HG3 ARG 79 -10.814 22.126 1.292 649 HD2 ARG 79 HD2 ARG 79 -7.993 23.161 1.550 650 HD3 ARG 79 HD3 ARG 79 -9.421 23.820 2.348 651 HE ARG 79 HE ARG 79 -9.378 21.208 3.121 652 HH11 ARG 79 HH11 ARG 79 -7.091 23.857 3.315 653 HH12 ARG 79 HH12 ARG 79 -6.312 23.243 4.732 654 HH21 ARG 79 HH21 ARG 79 -8.362 20.398 4.984 655 HH22 ARG 79 HH22 ARG 79 -7.041 21.258 5.697 656 H THR 80 H THR 80 -8.403 21.211 -2.382 657 HA THR 80 HA THR 80 -10.290 22.095 -4.355 658 HB THR 80 HB THR 80 -8.640 24.244 -2.980 659 HG1 THR 80 HG1 THR 80 -11.170 23.272 -2.462 660 HG21 THR 80 HG21 THR 80 -10.770 24.409 -5.117 661 HG22 THR 80 HG22 THR 80 -9.041 24.647 -5.358 662 HG23 THR 80 HG23 THR 80 -9.957 25.787 -4.368 663 H ASP 81 H ASP 81 -8.861 20.533 -5.590 664 HA ASP 81 HA ASP 81 -6.165 21.276 -6.023 665 HB2 ASP 81 HB2 ASP 81 -6.344 19.481 -7.797 666 HB3 ASP 81 HB3 ASP 81 -6.717 18.963 -6.158 667 H LEU 82 H LEU 82 -7.156 23.677 -6.665 668 HA LEU 82 HA LEU 82 -7.960 23.639 -9.447 669 HB2 LEU 82 HB2 LEU 82 -9.242 25.050 -7.902 670 HB3 LEU 82 HB3 LEU 82 -7.769 25.888 -7.452 671 HG LEU 82 HG LEU 82 -7.564 26.773 -9.730 672 HD11 LEU 82 HD11 LEU 82 -10.186 25.370 -10.212 673 HD12 LEU 82 HD12 LEU 82 -8.635 24.997 -10.969 674 HD13 LEU 82 HD13 LEU 82 -9.433 26.533 -11.305 675 HD21 LEU 82 HD21 LEU 82 -8.743 28.075 -8.043 676 HD22 LEU 82 HD22 LEU 82 -10.255 27.275 -8.467 677 HD23 LEU 82 HD23 LEU 82 -9.451 28.321 -9.638 678 H ASN 83 H ASN 83 -6.286 23.388 -10.728 679 HA ASN 83 HA ASN 83 -4.405 25.203 -11.377 680 HB2 ASN 83 HB2 ASN 83 -3.562 25.003 -9.021 681 HB3 ASN 83 HB3 ASN 83 -3.115 23.340 -9.377 682 HD21 ASN 83 HD21 ASN 83 -2.475 26.677 -10.120 683 HD22 ASN 83 HD22 ASN 83 -0.908 26.421 -10.798 684 H ILE 84 H ILE 84 -3.265 24.512 -13.109 685 HA ILE 84 HA ILE 84 -3.935 22.146 -14.400 686 HB ILE 84 HB ILE 84 -1.456 23.826 -14.822 687 HG12 ILE 84 HG12 ILE 84 -3.506 25.147 -15.009 688 HG13 ILE 84 HG13 ILE 84 -2.763 24.935 -16.589 689 HG21 ILE 84 HG21 ILE 84 -1.441 22.908 -17.098 690 HG22 ILE 84 HG22 ILE 84 -2.791 21.856 -16.676 691 HG23 ILE 84 HG23 ILE 84 -1.231 21.648 -15.881 692 HD11 ILE 84 HD11 ILE 84 -4.388 23.171 -17.099 693 HD12 ILE 84 HD12 ILE 84 -5.165 24.712 -16.736 694 HD13 ILE 84 HD13 ILE 84 -5.147 23.428 -15.527 695 H LEU 85 H LEU 85 -0.943 22.855 -12.525 696 HA LEU 85 HA LEU 85 0.236 20.324 -13.115 697 HB2 LEU 85 HB2 LEU 85 1.388 22.551 -12.589 698 HB3 LEU 85 HB3 LEU 85 0.969 22.256 -10.918 699 HG LEU 85 HG LEU 85 2.678 20.348 -12.526 700 HD11 LEU 85 HD11 LEU 85 4.615 21.390 -11.466 701 HD12 LEU 85 HD12 LEU 85 3.566 22.612 -10.747 702 HD13 LEU 85 HD13 LEU 85 3.755 22.531 -12.498 703 HD21 LEU 85 HD21 LEU 85 1.680 19.412 -10.503 704 HD22 LEU 85 HD22 LEU 85 2.321 20.753 -9.555 705 HD23 LEU 85 HD23 LEU 85 3.423 19.605 -10.312 706 H GLU 86 H GLU 86 -1.287 21.795 -10.257 707 HA GLU 86 HA GLU 86 -0.907 19.681 -8.497 708 HB2 GLU 86 HB2 GLU 86 -3.277 21.550 -8.512 709 HB3 GLU 86 HB3 GLU 86 -2.686 20.616 -7.148 710 HG2 GLU 86 HG2 GLU 86 -1.321 22.930 -8.498 711 HG3 GLU 86 HG3 GLU 86 -1.987 22.873 -6.867 712 H ARG 87 H ARG 87 -3.752 20.323 -10.592 713 HA ARG 87 HA ARG 87 -5.178 18.070 -9.767 714 HB2 ARG 87 HB2 ARG 87 -6.604 18.396 -11.648 715 HB3 ARG 87 HB3 ARG 87 -6.128 19.986 -11.079 716 HG2 ARG 87 HG2 ARG 87 -4.431 20.046 -12.900 717 HG3 ARG 87 HG3 ARG 87 -5.094 18.524 -13.497 718 HD2 ARG 87 HD2 ARG 87 -6.541 21.156 -13.239 719 HD3 ARG 87 HD3 ARG 87 -6.047 20.366 -14.734 720 HE ARG 87 HE ARG 87 -7.958 19.054 -12.925 721 HH11 ARG 87 HH11 ARG 87 -7.194 20.412 -16.081 722 HH12 ARG 87 HH12 ARG 87 -8.682 19.909 -16.801 723 HH21 ARG 87 HH21 ARG 87 -9.930 18.370 -13.897 724 HH22 ARG 87 HH22 ARG 87 -10.237 18.741 -15.560 725 H PHE 88 H PHE 88 -2.764 18.473 -12.309 726 HA PHE 88 HA PHE 88 -3.009 15.937 -13.489 727 HB2 PHE 88 HB2 PHE 88 -1.784 17.761 -14.550 728 HB3 PHE 88 HB3 PHE 88 -0.602 17.759 -13.249 729 HD1 PHE 88 HD1 PHE 88 -1.963 15.702 -16.014 730 HD2 PHE 88 HD2 PHE 88 1.283 16.408 -13.360 731 HE1 PHE 88 HE1 PHE 88 -0.591 14.101 -17.282 732 HE2 PHE 88 HE2 PHE 88 2.667 14.801 -14.619 733 HZ PHE 88 HZ PHE 88 1.730 13.646 -16.582 734 H ASN 89 H ASN 89 -1.101 17.097 -10.792 735 HA ASN 89 HA ASN 89 0.358 14.692 -10.333 736 HB2 ASN 89 HB2 ASN 89 -0.213 17.100 -8.637 737 HB3 ASN 89 HB3 ASN 89 0.528 15.677 -7.912 738 HD21 ASN 89 HD21 ASN 89 1.096 16.638 -11.217 739 HD22 ASN 89 HD22 ASN 89 2.742 17.112 -10.997 740 H TYR 90 H TYR 90 -2.553 15.999 -8.807 741 HA TYR 90 HA TYR 90 -3.141 13.940 -7.055 742 HB2 TYR 90 HB2 TYR 90 -4.890 15.825 -8.608 743 HB3 TYR 90 HB3 TYR 90 -5.583 14.633 -7.518 744 HD1 TYR 90 HD1 TYR 90 -2.384 16.318 -6.782 745 HD2 TYR 90 HD2 TYR 90 -6.582 16.258 -6.092 746 HE1 TYR 90 HE1 TYR 90 -2.093 17.871 -4.904 747 HE2 TYR 90 HE2 TYR 90 -6.308 17.803 -4.232 748 HH TYR 90 HH TYR 90 -4.674 18.597 -2.720 749 H GLU 91 H GLU 91 -4.329 14.327 -10.384 750 HA GLU 91 HA GLU 91 -5.737 11.951 -10.577 751 HB2 GLU 91 HB2 GLU 91 -4.326 13.582 -12.679 752 HB3 GLU 91 HB3 GLU 91 -5.378 12.225 -13.052 753 HG2 GLU 91 HG2 GLU 91 -6.119 14.817 -11.728 754 HG3 GLU 91 HG3 GLU 91 -6.646 14.213 -13.300 755 H GLU 92 H GLU 92 -2.341 12.604 -11.408 756 HA GLU 92 HA GLU 92 -1.845 10.013 -12.387 757 HB2 GLU 92 HB2 GLU 92 -0.429 12.001 -12.877 758 HB3 GLU 92 HB3 GLU 92 0.180 11.927 -11.228 759 HG2 GLU 92 HG2 GLU 92 1.747 10.901 -12.774 760 HG3 GLU 92 HG3 GLU 92 1.085 9.702 -11.660 761 H ALA 93 H ALA 93 -1.258 11.450 -9.090 762 HA ALA 93 HA ALA 93 -0.031 9.261 -7.978 763 HB1 ALA 93 HB1 ALA 93 -1.895 11.250 -6.675 764 HB2 ALA 93 HB2 ALA 93 -0.166 11.477 -6.931 765 HB3 ALA 93 HB3 ALA 93 -0.736 10.215 -5.841 766 H GLN 94 H GLN 94 -3.494 10.057 -8.161 767 HA GLN 94 HA GLN 94 -4.402 7.782 -6.772 768 HB2 GLN 94 HB2 GLN 94 -5.705 9.633 -8.747 769 HB3 GLN 94 HB3 GLN 94 -6.558 8.227 -8.128 770 HG2 GLN 94 HG2 GLN 94 -5.391 10.427 -6.442 771 HG3 GLN 94 HG3 GLN 94 -7.091 10.273 -6.893 772 HE21 GLN 94 HE21 GLN 94 -5.789 10.250 -4.253 773 HE22 GLN 94 HE22 GLN 94 -6.271 8.761 -3.508 774 H THR 95 H THR 95 -3.680 8.362 -10.132 775 HA THR 95 HA THR 95 -4.691 5.998 -11.222 776 HB THR 95 HB THR 95 -2.302 7.638 -12.095 777 HG1 THR 95 HG1 THR 95 -4.172 8.845 -12.212 778 HG21 THR 95 HG21 THR 95 -2.223 5.371 -13.040 779 HG22 THR 95 HG22 THR 95 -2.567 6.579 -14.277 780 HG23 THR 95 HG23 THR 95 -3.870 5.566 -13.644 781 H LEU 96 H LEU 96 -1.399 6.724 -9.995 782 HA LEU 96 HA LEU 96 -0.457 4.086 -10.479 783 HB2 LEU 96 HB2 LEU 96 0.647 6.273 -8.715 784 HB3 LEU 96 HB3 LEU 96 1.478 4.773 -9.081 785 HG LEU 96 HG LEU 96 0.727 6.891 -11.099 786 HD11 LEU 96 HD11 LEU 96 3.401 6.146 -9.925 787 HD12 LEU 96 HD12 LEU 96 2.502 7.630 -9.609 788 HD13 LEU 96 HD13 LEU 96 3.132 7.307 -11.225 789 HD21 LEU 96 HD21 LEU 96 2.141 5.577 -12.630 790 HD22 LEU 96 HD22 LEU 96 0.718 4.685 -12.098 791 HD23 LEU 96 HD23 LEU 96 2.295 4.328 -11.392 792 H SER 97 H SER 97 -1.840 5.752 -7.718 793 HA SER 97 HA SER 97 -1.270 3.880 -5.739 794 HB2 SER 97 HB2 SER 97 -2.185 6.167 -5.332 795 HB3 SER 97 HB3 SER 97 -3.748 5.610 -5.929 796 HG SER 97 HG SER 97 -2.387 4.917 -3.574 797 H LYS 98 H LYS 98 -4.167 4.173 -7.841 798 HA LYS 98 HA LYS 98 -5.496 1.945 -6.825 799 HB2 LYS 98 HB2 LYS 98 -5.667 3.335 -9.500 800 HB3 LYS 98 HB3 LYS 98 -6.806 2.117 -8.943 801 HG2 LYS 98 HG2 LYS 98 -7.569 3.519 -7.174 802 HG3 LYS 98 HG3 LYS 98 -6.268 4.677 -7.455 803 HD2 LYS 98 HD2 LYS 98 -7.200 5.271 -9.599 804 HD3 LYS 98 HD3 LYS 98 -8.440 4.026 -9.442 805 HE2 LYS 98 HE2 LYS 98 -8.121 6.360 -7.562 806 HE3 LYS 98 HE3 LYS 98 -9.238 6.329 -8.925 807 HZ1 LYS 98 HZ1 LYS 98 -10.347 4.431 -7.928 808 HZ2 LYS 98 HZ2 LYS 98 -10.343 5.744 -6.863 809 HZ3 LYS 98 HZ3 LYS 98 -9.277 4.456 -6.619 810 H ILE 99 H ILE 99 -3.083 2.299 -9.385 811 HA ILE 99 HA ILE 99 -3.349 -0.282 -10.470 812 HB ILE 99 HB ILE 99 -0.917 1.519 -10.353 813 HG12 ILE 99 HG12 ILE 99 -2.849 0.891 -12.601 814 HG13 ILE 99 HG13 ILE 99 -2.842 2.374 -11.653 815 HG21 ILE 99 HG21 ILE 99 0.087 0.083 -12.054 816 HG22 ILE 99 HG22 ILE 99 -1.310 -0.992 -11.985 817 HG23 ILE 99 HG23 ILE 99 -0.251 -0.841 -10.585 818 HD11 ILE 99 HD11 ILE 99 -1.794 2.706 -13.817 819 HD12 ILE 99 HD12 ILE 99 -0.635 1.424 -13.467 820 HD13 ILE 99 HD13 ILE 99 -0.619 2.910 -12.519 821 H LEU 100 H LEU 100 -1.407 1.009 -7.843 822 HA LEU 100 HA LEU 100 0.029 -1.351 -7.247 823 HB2 LEU 100 HB2 LEU 100 -0.689 0.983 -5.479 824 HB3 LEU 100 HB3 LEU 100 0.414 -0.296 -5.015 825 HG LEU 100 HG LEU 100 0.825 1.656 -7.284 826 HD11 LEU 100 HD11 LEU 100 2.188 1.404 -4.609 827 HD12 LEU 100 HD12 LEU 100 1.065 2.677 -5.089 828 HD13 LEU 100 HD13 LEU 100 2.628 2.531 -5.893 829 HD21 LEU 100 HD21 LEU 100 2.593 -0.558 -6.236 830 HD22 LEU 100 HD22 LEU 100 3.085 0.670 -7.401 831 HD23 LEU 100 HD23 LEU 100 1.824 -0.486 -7.823 832 H LEU 101 H LEU 101 -3.025 -0.060 -6.065 833 HA LEU 101 HA LEU 101 -3.556 -1.967 -4.080 834 HB2 LEU 101 HB2 LEU 101 -5.439 -0.399 -5.837 835 HB3 LEU 101 HB3 LEU 101 -5.964 -1.378 -4.485 836 HG LEU 101 HG LEU 101 -4.196 1.068 -4.309 837 HD11 LEU 101 HD11 LEU 101 -6.506 1.593 -4.856 838 HD12 LEU 101 HD12 LEU 101 -6.111 2.084 -3.209 839 HD13 LEU 101 HD13 LEU 101 -7.056 0.623 -3.491 840 HD21 LEU 101 HD21 LEU 101 -3.625 -0.557 -2.591 841 HD22 LEU 101 HD22 LEU 101 -5.325 -0.721 -2.160 842 HD23 LEU 101 HD23 LEU 101 -4.489 0.808 -1.884 843 H LYS 102 H LYS 102 -4.386 -1.949 -7.551 844 HA LYS 102 HA LYS 102 -5.765 -4.393 -7.491 845 HB2 LYS 102 HB2 LYS 102 -4.365 -2.987 -9.764 846 HB3 LYS 102 HB3 LYS 102 -5.393 -4.401 -9.966 847 HG2 LYS 102 HG2 LYS 102 -7.275 -3.115 -8.994 848 HG3 LYS 102 HG3 LYS 102 -6.228 -1.697 -8.930 849 HD2 LYS 102 HD2 LYS 102 -6.953 -3.214 -11.440 850 HD3 LYS 102 HD3 LYS 102 -7.704 -1.711 -10.910 851 HE2 LYS 102 HE2 LYS 102 -5.540 -0.577 -11.063 852 HE3 LYS 102 HE3 LYS 102 -4.787 -2.084 -11.587 853 HZ1 LYS 102 HZ1 LYS 102 -6.873 -0.554 -13.046 854 HZ2 LYS 102 HZ2 LYS 102 -6.289 -2.061 -13.521 855 HZ3 LYS 102 HZ3 LYS 102 -5.251 -0.731 -13.490 856 H ASP 103 H ASP 103 -2.290 -3.649 -7.823 857 HA ASP 103 HA ASP 103 -1.622 -6.287 -8.658 858 HB2 ASP 103 HB2 ASP 103 -0.212 -4.146 -8.921 859 HB3 ASP 103 HB3 ASP 103 0.254 -4.400 -7.240 860 H LEU 104 H LEU 104 -1.624 -4.593 -5.433 861 HA LEU 104 HA LEU 104 -0.717 -6.693 -3.913 862 HB2 LEU 104 HB2 LEU 104 -2.830 -4.634 -3.257 863 HB3 LEU 104 HB3 LEU 104 -2.014 -5.643 -2.079 864 HG LEU 104 HG LEU 104 -0.680 -3.564 -3.816 865 HD11 LEU 104 HD11 LEU 104 -0.443 -2.297 -1.740 866 HD12 LEU 104 HD12 LEU 104 -1.373 -3.524 -0.883 867 HD13 LEU 104 HD13 LEU 104 -2.136 -2.562 -2.146 868 HD21 LEU 104 HD21 LEU 104 0.402 -5.242 -1.553 869 HD22 LEU 104 HD22 LEU 104 1.266 -3.948 -2.385 870 HD23 LEU 104 HD23 LEU 104 0.810 -5.408 -3.261 871 H LYS 105 H LYS 105 -4.060 -5.965 -4.918 872 HA LYS 105 HA LYS 105 -5.282 -8.143 -3.661 873 HB2 LYS 105 HB2 LYS 105 -6.054 -6.583 -6.118 874 HB3 LYS 105 HB3 LYS 105 -7.076 -7.837 -5.429 875 HG2 LYS 105 HG2 LYS 105 -7.216 -6.615 -3.344 876 HG3 LYS 105 HG3 LYS 105 -6.136 -5.374 -3.976 877 HD2 LYS 105 HD2 LYS 105 -7.756 -4.742 -5.636 878 HD3 LYS 105 HD3 LYS 105 -8.806 -6.086 -5.183 879 HE2 LYS 105 HE2 LYS 105 -8.036 -3.788 -3.379 880 HE3 LYS 105 HE3 LYS 105 -9.566 -3.931 -4.245 881 HZ1 LYS 105 HZ1 LYS 105 -10.114 -5.874 -2.979 882 HZ2 LYS 105 HZ2 LYS 105 -9.679 -4.652 -1.899 883 HZ3 LYS 105 HZ3 LYS 105 -8.597 -5.896 -2.235 884 H GLU 106 H GLU 106 -3.539 -7.954 -6.652 885 HA GLU 106 HA GLU 106 -4.290 -10.474 -7.709 886 HB2 GLU 106 HB2 GLU 106 -3.265 -8.700 -9.057 887 HB3 GLU 106 HB3 GLU 106 -1.794 -8.815 -8.108 888 HG2 GLU 106 HG2 GLU 106 -1.413 -9.922 -10.156 889 HG3 GLU 106 HG3 GLU 106 -1.562 -11.163 -8.914 890 H THR 107 H THR 107 -1.654 -9.358 -5.662 891 HA THR 107 HA THR 107 -0.333 -11.866 -5.532 892 HB THR 107 HB THR 107 0.534 -10.557 -3.286 893 HG1 THR 107 HG1 THR 107 0.063 -8.556 -5.263 894 HG21 THR 107 HG21 THR 107 1.482 -10.214 -6.128 895 HG22 THR 107 HG22 THR 107 1.929 -11.524 -5.032 896 HG23 THR 107 HG23 THR 107 2.421 -9.867 -4.676 897 H GLU 108 H GLU 108 -2.405 -10.169 -3.125 898 HA GLU 108 HA GLU 108 -2.415 -12.144 -1.213 899 HB2 GLU 108 HB2 GLU 108 -4.595 -11.268 -0.448 900 HB3 GLU 108 HB3 GLU 108 -3.436 -9.994 -0.777 901 HG2 GLU 108 HG2 GLU 108 -4.998 -9.013 -1.977 902 HG3 GLU 108 HG3 GLU 108 -4.830 -10.313 -3.155 903 H GLN 109 H GLN 109 -4.478 -11.962 -4.100 904 HA GLN 109 HA GLN 109 -5.981 -14.261 -3.548 905 HB2 GLN 109 HB2 GLN 109 -6.537 -12.598 -5.310 906 HB3 GLN 109 HB3 GLN 109 -5.209 -13.229 -6.276 907 HG2 GLN 109 HG2 GLN 109 -6.296 -15.430 -6.306 908 HG3 GLN 109 HG3 GLN 109 -7.640 -14.762 -5.383 909 HE21 GLN 109 HE21 GLN 109 -7.634 -15.980 -8.010 910 HE22 GLN 109 HE22 GLN 109 -8.268 -14.802 -9.100 911 H LYS 110 H LYS 110 -2.859 -13.844 -5.109 912 HA LYS 110 HA LYS 110 -2.622 -16.511 -6.008 913 HB2 LYS 110 HB2 LYS 110 -0.736 -14.226 -5.710 914 HB3 LYS 110 HB3 LYS 110 -0.085 -15.832 -6.006 915 HG2 LYS 110 HG2 LYS 110 -1.218 -16.020 -8.066 916 HG3 LYS 110 HG3 LYS 110 -2.218 -14.608 -7.727 917 HD2 LYS 110 HD2 LYS 110 -0.436 -13.132 -8.074 918 HD3 LYS 110 HD3 LYS 110 0.770 -14.416 -7.924 919 HE2 LYS 110 HE2 LYS 110 0.314 -13.576 -10.271 920 HE3 LYS 110 HE3 LYS 110 0.219 -15.319 -10.029 921 HZ1 LYS 110 HZ1 LYS 110 -2.116 -13.463 -10.155 922 HZ2 LYS 110 HZ2 LYS 110 -2.190 -15.136 -9.923 923 HZ3 LYS 110 HZ3 LYS 110 -1.610 -14.519 -11.381 924 H VAL 111 H VAL 111 -1.378 -14.914 -3.089 925 HA VAL 111 HA VAL 111 -0.004 -17.194 -2.151 926 HB VAL 111 HB VAL 111 0.570 -15.013 -1.242 927 HG11 VAL 111 HG11 VAL 111 -2.160 -14.973 0.018 928 HG12 VAL 111 HG12 VAL 111 -1.615 -13.966 -1.321 929 HG13 VAL 111 HG13 VAL 111 -0.880 -13.785 0.272 930 HG21 VAL 111 HG21 VAL 111 1.018 -16.928 0.179 931 HG22 VAL 111 HG22 VAL 111 -0.590 -16.792 0.892 932 HG23 VAL 111 HG23 VAL 111 0.603 -15.520 1.155 933 H LYS 112 H LYS 112 -3.298 -16.032 -1.556 934 HA LYS 112 HA LYS 112 -3.972 -18.174 0.200 935 HB2 LYS 112 HB2 LYS 112 -6.195 -17.342 0.126 936 HB3 LYS 112 HB3 LYS 112 -5.145 -15.935 0.032 937 HG2 LYS 112 HG2 LYS 112 -5.465 -16.183 -2.528 938 HG3 LYS 112 HG3 LYS 112 -6.862 -17.159 -2.084 939 HD2 LYS 112 HD2 LYS 112 -6.344 -14.288 -1.287 940 HD3 LYS 112 HD3 LYS 112 -7.530 -14.855 -2.458 941 HE2 LYS 112 HE2 LYS 112 -7.515 -15.488 0.483 942 HE3 LYS 112 HE3 LYS 112 -8.556 -14.314 -0.320 943 HZ1 LYS 112 HZ1 LYS 112 -9.698 -16.408 0.063 944 HZ2 LYS 112 HZ2 LYS 112 -8.538 -17.240 -0.829 945 HZ3 LYS 112 HZ3 LYS 112 -9.540 -16.113 -1.594 946 H ASP 113 H ASP 113 -3.682 -17.878 -3.175 947 HA ASP 113 HA ASP 113 -5.440 -19.960 -3.996 948 HB2 ASP 113 HB2 ASP 113 -4.764 -18.307 -5.617 949 HB3 ASP 113 HB3 ASP 113 -3.064 -18.675 -5.357 950 H ILE 114 H ILE 114 -2.100 -19.846 -2.889 951 HA ILE 114 HA ILE 114 -1.499 -22.482 -3.786 952 HB ILE 114 HB ILE 114 -0.051 -20.337 -2.397 953 HG12 ILE 114 HG12 ILE 114 1.864 -21.284 -3.645 954 HG13 ILE 114 HG13 ILE 114 0.848 -22.622 -4.151 955 HG21 ILE 114 HG21 ILE 114 0.079 -21.846 -0.557 956 HG22 ILE 114 HG22 ILE 114 1.645 -21.814 -1.370 957 HG23 ILE 114 HG23 ILE 114 0.551 -23.175 -1.615 958 HD11 ILE 114 HD11 ILE 114 0.337 -19.737 -4.813 959 HD12 ILE 114 HD12 ILE 114 -0.560 -21.138 -5.411 960 HD13 ILE 114 HD13 ILE 114 1.130 -20.906 -5.870 961 H GLN 115 H GLN 115 -1.983 -24.257 -2.924 962 HA GLN 115 HA GLN 115 -3.434 -24.448 -0.402 963 HB2 GLN 115 HB2 GLN 115 -3.523 -26.925 -0.937 964 HB3 GLN 115 HB3 GLN 115 -4.305 -25.870 -2.101 965 HG2 GLN 115 HG2 GLN 115 -2.401 -26.059 -3.584 966 HG3 GLN 115 HG3 GLN 115 -1.559 -27.060 -2.403 967 HE21 GLN 115 HE21 GLN 115 -2.392 -27.617 -5.168 968 HE22 GLN 115 HE22 GLN 115 -3.366 -29.042 -5.088 969 H THR 116 H THR 116 -2.442 -24.704 1.533 970 HA THR 116 HA THR 116 0.200 -25.957 1.489 971 HB THR 116 HB THR 116 0.689 -24.463 3.477 972 HG1 THR 116 HG1 THR 116 -1.186 -22.661 2.439 973 HG21 THR 116 HG21 THR 116 1.720 -24.098 1.325 974 HG22 THR 116 HG22 THR 116 1.255 -22.538 2.015 975 HG23 THR 116 HG23 THR 116 0.276 -23.274 0.743 976 H GLN 117 H GLN 117 0.860 -26.414 3.851 977 HA GLN 117 HA GLN 117 0.724 -27.838 5.608 978 HB2 GLN 117 HB2 GLN 117 -0.715 -26.000 6.451 979 HB3 GLN 117 HB3 GLN 117 -2.126 -26.831 5.812 980 HG2 GLN 117 HG2 GLN 117 -1.670 -28.711 7.323 981 HG3 GLN 117 HG3 GLN 117 -0.281 -27.836 7.966 982 HE21 GLN 117 HE21 GLN 117 -3.735 -28.013 7.826 983 HE22 GLN 117 HE22 GLN 117 -4.049 -26.917 9.124 Start of MODEL 19 1 H GLN 1 H1 GLN 1 28.607 18.124 4.021 2 HA GLN 1 HA GLN 1 29.065 20.403 3.529 3 HB2 GLN 1 HB2 GLN 1 27.907 21.504 1.628 4 HB3 GLN 1 HB3 GLN 1 29.112 20.333 1.118 5 HG2 GLN 1 HG2 GLN 1 27.303 18.691 0.740 6 HG3 GLN 1 HG3 GLN 1 26.127 19.933 1.162 7 HE21 GLN 1 HE21 GLN 1 25.761 21.631 -0.269 8 HE22 GLN 1 HE22 GLN 1 26.285 21.568 -1.915 9 H GLU 2 H GLU 2 26.589 18.340 4.207 10 HA GLU 2 HA GLU 2 24.564 20.364 4.601 11 HB2 GLU 2 HB2 GLU 2 24.042 18.001 3.886 12 HB3 GLU 2 HB3 GLU 2 24.509 17.480 5.499 13 HG2 GLU 2 HG2 GLU 2 22.084 17.707 5.252 14 HG3 GLU 2 HG3 GLU 2 22.740 18.793 6.479 15 H HIS 3 H HIS 3 23.751 20.999 6.642 16 HA HIS 3 HA HIS 3 25.064 20.133 9.042 17 HB2 HIS 3 HB2 HIS 3 25.993 22.374 9.659 18 HB3 HIS 3 HB3 HIS 3 26.822 21.610 8.310 19 HD1 HIS 3 HD1 HIS 3 24.959 24.668 9.246 20 HD2 HIS 3 HD2 HIS 3 26.254 22.821 5.752 21 HE1 HIS 3 HE1 HIS 3 24.736 26.397 7.445 22 HE2 HIS 3 HE2 HIS 3 25.368 25.210 5.321 23 H LYS 4 H LYS 4 24.096 20.801 10.916 24 HA LYS 4 HA LYS 4 21.493 22.161 10.574 25 HB2 LYS 4 HB2 LYS 4 22.196 19.924 12.488 26 HB3 LYS 4 HB3 LYS 4 20.646 20.749 12.399 27 HG2 LYS 4 HG2 LYS 4 20.145 19.807 10.306 28 HG3 LYS 4 HG3 LYS 4 21.809 19.287 10.051 29 HD2 LYS 4 HD2 LYS 4 20.371 17.388 10.615 30 HD3 LYS 4 HD3 LYS 4 21.582 17.652 11.866 31 HE2 LYS 4 HE2 LYS 4 18.939 18.969 12.211 32 HE3 LYS 4 HE3 LYS 4 19.002 17.220 12.411 33 HZ1 LYS 4 HZ1 LYS 4 20.643 19.200 13.919 34 HZ2 LYS 4 HZ2 LYS 4 20.730 17.524 14.087 35 HZ3 LYS 4 HZ3 LYS 4 19.317 18.332 14.515 36 HA PRO 5 HA PRO 5 22.995 24.982 13.696 37 HB2 PRO 5 HB2 PRO 5 20.561 26.020 14.422 38 HB3 PRO 5 HB3 PRO 5 21.434 26.517 12.968 39 HG2 PRO 5 HG2 PRO 5 19.176 24.565 13.247 40 HG3 PRO 5 HG3 PRO 5 19.436 25.803 12.001 41 HD2 PRO 5 HD2 PRO 5 19.964 23.194 11.595 42 HD3 PRO 5 HD3 PRO 5 20.929 24.479 10.841 43 H LYS 6 H LYS 6 19.803 24.280 14.959 44 HA LYS 6 HA LYS 6 21.033 22.898 17.237 45 HB2 LYS 6 HB2 LYS 6 19.595 25.110 17.391 46 HB3 LYS 6 HB3 LYS 6 18.243 23.996 17.298 47 HG2 LYS 6 HG2 LYS 6 18.963 22.876 19.313 48 HG3 LYS 6 HG3 LYS 6 20.432 23.849 19.366 49 HD2 LYS 6 HD2 LYS 6 17.615 24.921 19.592 50 HD3 LYS 6 HD3 LYS 6 18.712 24.649 20.945 51 HE2 LYS 6 HE2 LYS 6 20.298 26.252 19.917 52 HE3 LYS 6 HE3 LYS 6 19.117 26.569 18.652 53 HZ1 LYS 6 HZ1 LYS 6 18.670 27.042 21.547 54 HZ2 LYS 6 HZ2 LYS 6 17.597 27.413 20.299 55 HZ3 LYS 6 HZ3 LYS 6 19.066 28.233 20.418 56 H LYS 7 H LYS 7 18.872 21.574 18.301 57 HA LYS 7 HA LYS 7 18.803 19.308 16.615 58 HB2 LYS 7 HB2 LYS 7 17.410 18.275 18.391 59 HB3 LYS 7 HB3 LYS 7 18.918 18.958 18.971 60 HG2 LYS 7 HG2 LYS 7 17.712 20.907 19.825 61 HG3 LYS 7 HG3 LYS 7 16.198 20.235 19.219 62 HD2 LYS 7 HD2 LYS 7 16.329 19.736 21.553 63 HD3 LYS 7 HD3 LYS 7 16.604 18.236 20.669 64 HE2 LYS 7 HE2 LYS 7 19.064 18.637 20.929 65 HE3 LYS 7 HE3 LYS 7 18.666 19.996 21.979 66 HZ1 LYS 7 HZ1 LYS 7 19.129 18.035 23.271 67 HZ2 LYS 7 HZ2 LYS 7 17.955 17.158 22.436 68 HZ3 LYS 7 HZ3 LYS 7 17.495 18.435 23.435 69 H ASP 8 H ASP 8 16.086 21.364 17.766 70 HA ASP 8 HA ASP 8 14.427 20.144 15.662 71 HB2 ASP 8 HB2 ASP 8 13.659 21.743 18.111 72 HB3 ASP 8 HB3 ASP 8 12.514 21.195 16.892 73 H ASP 9 H ASP 9 16.451 22.235 15.306 74 HA ASP 9 HA ASP 9 14.771 24.492 14.504 75 HB2 ASP 9 HB2 ASP 9 17.669 24.269 15.193 76 HB3 ASP 9 HB3 ASP 9 17.119 25.588 14.162 77 H PHE 10 H PHE 10 14.805 22.073 12.995 78 HA PHE 10 HA PHE 10 16.382 22.165 10.695 79 HB2 PHE 10 HB2 PHE 10 13.600 21.126 11.180 80 HB3 PHE 10 HB3 PHE 10 14.341 21.031 9.591 81 HD1 PHE 10 HD1 PHE 10 14.820 20.043 13.123 82 HD2 PHE 10 HD2 PHE 10 15.699 19.246 9.049 83 HE1 PHE 10 HE1 PHE 10 15.850 17.901 13.770 84 HE2 PHE 10 HE2 PHE 10 16.736 17.112 9.676 85 HZ PHE 10 HZ PHE 10 16.812 16.432 12.042 86 H ARG 11 H ARG 11 12.929 22.933 10.638 87 HA ARG 11 HA ARG 11 11.688 24.415 9.484 88 HB2 ARG 11 HB2 ARG 11 14.070 26.199 9.981 89 HB3 ARG 11 HB3 ARG 11 12.497 26.754 9.423 90 HG2 ARG 11 HG2 ARG 11 11.509 25.808 11.509 91 HG3 ARG 11 HG3 ARG 11 13.149 25.479 12.069 92 HD2 ARG 11 HD2 ARG 11 13.670 27.873 11.855 93 HD3 ARG 11 HD3 ARG 11 12.004 28.176 11.364 94 HE ARG 11 HE ARG 11 12.845 27.210 14.021 95 HH11 ARG 11 HH11 ARG 11 10.499 28.844 11.966 96 HH12 ARG 11 HH12 ARG 11 9.519 29.358 13.291 97 HH21 ARG 11 HH21 ARG 11 11.535 27.878 15.762 98 HH22 ARG 11 HH22 ARG 11 10.105 28.807 15.462 99 H ASN 12 H ASN 12 13.251 22.634 7.959 100 HA ASN 12 HA ASN 12 14.433 23.943 5.723 101 HB2 ASN 12 HB2 ASN 12 13.444 21.109 6.118 102 HB3 ASN 12 HB3 ASN 12 14.195 21.658 4.629 103 HD21 ASN 12 HD21 ASN 12 15.910 20.268 4.787 104 HD22 ASN 12 HD22 ASN 12 17.161 20.441 5.966 105 H GLU 13 H GLU 13 13.459 23.033 3.461 106 HA GLU 13 HA GLU 13 10.942 24.407 3.201 107 HB2 GLU 13 HB2 GLU 13 11.195 23.910 0.771 108 HB3 GLU 13 HB3 GLU 13 12.578 24.740 1.456 109 HG2 GLU 13 HG2 GLU 13 12.555 21.761 1.158 110 HG3 GLU 13 HG3 GLU 13 12.981 22.814 -0.187 111 H PHE 14 H PHE 14 9.883 22.831 1.083 112 HA PHE 14 HA PHE 14 8.029 21.439 0.955 113 HB2 PHE 14 HB2 PHE 14 10.119 19.575 2.105 114 HB3 PHE 14 HB3 PHE 14 8.602 19.045 1.391 115 HD1 PHE 14 HD2 PHE 14 8.174 19.925 -1.050 116 HD2 PHE 14 HD1 PHE 14 11.998 19.636 0.793 117 HE1 PHE 14 HE2 PHE 14 9.235 19.879 -3.268 118 HE2 PHE 14 HE1 PHE 14 13.065 19.589 -1.420 119 HZ PHE 14 HZ PHE 14 11.682 19.709 -3.453 120 H ASP 15 H ASP 15 7.728 23.008 3.160 121 HA ASP 15 HA ASP 15 7.461 21.841 5.663 122 HB2 ASP 15 HB2 ASP 15 5.737 23.985 4.398 123 HB3 ASP 15 HB3 ASP 15 5.710 23.573 6.106 124 H HIS 16 H HIS 16 5.088 22.051 3.069 125 HA HIS 16 HA HIS 16 3.885 19.575 4.018 126 HB2 HIS 16 HB2 HIS 16 2.339 22.133 3.485 127 HB3 HIS 16 HB3 HIS 16 1.587 20.545 3.568 128 HD1 HIS 16 HD1 HIS 16 1.157 19.568 5.894 129 HD2 HIS 16 HD2 HIS 16 3.287 23.141 5.974 130 HE1 HIS 16 HE1 HIS 16 1.221 20.265 8.298 131 HE2 HIS 16 HE2 HIS 16 2.769 22.243 8.335 132 H LEU 17 H LEU 17 2.892 18.372 2.292 133 HA LEU 17 HA LEU 17 2.434 19.377 -0.238 134 HB2 LEU 17 HB2 LEU 17 4.960 19.497 -0.239 135 HB3 LEU 17 HB3 LEU 17 4.986 17.756 -0.057 136 HG LEU 17 HG LEU 17 4.002 17.452 -2.249 137 HD11 LEU 17 HD11 LEU 17 3.501 19.359 -3.703 138 HD12 LEU 17 HD12 LEU 17 3.851 20.463 -2.374 139 HD13 LEU 17 HD13 LEU 17 2.485 19.354 -2.264 140 HD21 LEU 17 HD21 LEU 17 5.770 18.351 -3.638 141 HD22 LEU 17 HD22 LEU 17 6.452 17.821 -2.100 142 HD23 LEU 17 HD23 LEU 17 6.179 19.534 -2.400 143 H LEU 18 H LEU 18 0.678 18.196 -0.401 144 HA LEU 18 HA LEU 18 0.389 15.666 0.830 145 HB2 LEU 18 HB2 LEU 18 -1.383 17.091 -1.157 146 HB3 LEU 18 HB3 LEU 18 -1.822 15.615 -0.325 147 HG LEU 18 HG LEU 18 -1.501 16.923 1.855 148 HD11 LEU 18 HD11 LEU 18 -0.277 18.822 1.030 149 HD12 LEU 18 HD12 LEU 18 -1.824 19.359 1.685 150 HD13 LEU 18 HD13 LEU 18 -1.597 19.245 -0.059 151 HD21 LEU 18 HD21 LEU 18 -3.706 17.696 -0.036 152 HD22 LEU 18 HD22 LEU 18 -3.733 17.927 1.712 153 HD23 LEU 18 HD23 LEU 18 -3.683 16.297 1.037 154 H ILE 19 H ILE 19 1.025 16.701 -2.459 155 HA ILE 19 HA ILE 19 0.803 14.149 -3.636 156 HB ILE 19 HB ILE 19 2.295 16.639 -4.477 157 HG12 ILE 19 HG12 ILE 19 -0.142 16.683 -4.626 158 HG13 ILE 19 HG13 ILE 19 0.581 16.701 -6.233 159 HG21 ILE 19 HG21 ILE 19 2.738 15.582 -6.647 160 HG22 ILE 19 HG22 ILE 19 2.114 14.055 -6.026 161 HG23 ILE 19 HG23 ILE 19 3.582 14.752 -5.338 162 HD11 ILE 19 HD11 ILE 19 -1.327 15.229 -6.213 163 HD12 ILE 19 HD12 ILE 19 -0.672 14.332 -4.851 164 HD13 ILE 19 HD13 ILE 19 0.140 14.273 -6.416 165 H GLU 20 H GLU 20 3.358 15.770 -1.915 166 HA GLU 20 HA GLU 20 5.531 14.099 -2.514 167 HB2 GLU 20 HB2 GLU 20 5.673 16.269 -1.333 168 HB3 GLU 20 HB3 GLU 20 4.901 15.546 0.063 169 HG2 GLU 20 HG2 GLU 20 7.212 15.696 0.482 170 HG3 GLU 20 HG3 GLU 20 6.819 13.993 0.241 171 H GLN 21 H GLN 21 3.199 14.028 0.162 172 HA GLN 21 HA GLN 21 4.133 11.655 1.336 173 HB2 GLN 21 HB2 GLN 21 1.608 13.225 1.529 174 HB3 GLN 21 HB3 GLN 21 1.641 11.603 2.205 175 HG2 GLN 21 HG2 GLN 21 3.574 13.797 2.916 176 HG3 GLN 21 HG3 GLN 21 2.142 13.366 3.851 177 HE21 GLN 21 HE21 GLN 21 2.107 11.418 4.970 178 HE22 GLN 21 HE22 GLN 21 3.540 10.518 5.312 179 H ALA 22 H ALA 22 2.001 12.197 -1.357 180 HA ALA 22 HA ALA 22 0.880 9.546 -1.349 181 HB1 ALA 22 HB1 ALA 22 -0.371 11.440 -2.282 182 HB2 ALA 22 HB2 ALA 22 -0.101 10.193 -3.500 183 HB3 ALA 22 HB3 ALA 22 0.876 11.662 -3.508 184 H ASN 23 H ASN 23 3.283 11.321 -3.143 185 HA ASN 23 HA ASN 23 4.059 9.226 -4.906 186 HB2 ASN 23 HB2 ASN 23 5.272 11.844 -4.127 187 HB3 ASN 23 HB3 ASN 23 6.262 10.675 -4.987 188 HD21 ASN 23 HD21 ASN 23 2.819 10.973 -5.503 189 HD22 ASN 23 HD22 ASN 23 2.925 11.636 -7.095 190 H HIS 24 H HIS 24 5.123 10.221 -1.724 191 HA HIS 24 HA HIS 24 7.380 8.504 -1.657 192 HB2 HIS 24 HB2 HIS 24 6.978 10.499 -0.137 193 HB3 HIS 24 HB3 HIS 24 5.843 9.488 0.748 194 HD1 HIS 24 HD1 HIS 24 6.907 8.656 2.815 195 HD2 HIS 24 HD2 HIS 24 9.607 8.859 -0.339 196 HE1 HIS 24 HE1 HIS 24 9.075 7.803 3.729 197 HE2 HIS 24 HE2 HIS 24 10.734 8.153 1.875 198 H ALA 25 H ALA 25 4.000 8.141 -0.423 199 HA ALA 25 HA ALA 25 4.346 5.657 0.722 200 HB1 ALA 25 HB1 ALA 25 1.871 6.786 -0.576 201 HB2 ALA 25 HB2 ALA 25 2.399 7.107 1.075 202 HB3 ALA 25 HB3 ALA 25 1.928 5.475 0.603 203 H ILE 26 H ILE 26 3.319 6.466 -2.613 204 HA ILE 26 HA ILE 26 2.911 3.775 -3.363 205 HB ILE 26 HB ILE 26 3.004 4.538 -5.715 206 HG12 ILE 26 HG12 ILE 26 3.648 7.245 -4.524 207 HG13 ILE 26 HG13 ILE 26 4.760 6.252 -5.458 208 HG21 ILE 26 HG21 ILE 26 1.365 6.283 -3.883 209 HG22 ILE 26 HG22 ILE 26 0.922 4.684 -4.482 210 HG23 ILE 26 HG23 ILE 26 1.065 6.038 -5.604 211 HD11 ILE 26 HD11 ILE 26 2.196 7.456 -6.475 212 HD12 ILE 26 HD12 ILE 26 3.317 6.466 -7.410 213 HD13 ILE 26 HD13 ILE 26 3.826 8.042 -6.805 214 H GLU 27 H GLU 27 5.765 5.828 -3.446 215 HA GLU 27 HA GLU 27 7.478 4.190 -4.945 216 HB2 GLU 27 HB2 GLU 27 7.976 6.523 -4.161 217 HB3 GLU 27 HB3 GLU 27 8.197 5.889 -2.540 218 HG2 GLU 27 HG2 GLU 27 10.354 6.100 -3.351 219 HG3 GLU 27 HG3 GLU 27 9.993 4.390 -3.586 220 H LYS 28 H LYS 28 6.872 4.356 -1.454 221 HA LYS 28 HA LYS 28 8.634 2.278 -0.713 222 HB2 LYS 28 HB2 LYS 28 7.775 4.058 0.798 223 HB3 LYS 28 HB3 LYS 28 6.190 3.304 0.739 224 HG2 LYS 28 HG2 LYS 28 7.145 1.278 1.755 225 HG3 LYS 28 HG3 LYS 28 8.707 2.093 1.861 226 HD2 LYS 28 HD2 LYS 28 7.594 3.869 3.231 227 HD3 LYS 28 HD3 LYS 28 6.138 2.871 3.237 228 HE2 LYS 28 HE2 LYS 28 8.840 2.072 4.312 229 HE3 LYS 28 HE3 LYS 28 7.452 2.561 5.280 230 HZ1 LYS 28 HZ1 LYS 28 6.248 0.639 4.477 231 HZ2 LYS 28 HZ2 LYS 28 7.708 0.155 5.169 232 HZ3 LYS 28 HZ3 LYS 28 7.549 0.196 3.494 233 H GLY 29 H GLY 29 5.102 2.368 -1.214 234 HA2 GLY 29 HA2 GLY 29 4.553 -0.287 -0.544 235 HA3 GLY 29 HA3 GLY 29 3.573 0.727 -1.589 236 H GLU 30 H GLU 30 5.348 1.144 -3.611 237 HA GLU 30 HA GLU 30 4.907 -1.171 -5.197 238 HB2 GLU 30 HB2 GLU 30 5.070 1.101 -6.154 239 HB3 GLU 30 HB3 GLU 30 6.791 1.115 -5.787 240 HG2 GLU 30 HG2 GLU 30 7.127 -0.785 -7.286 241 HG3 GLU 30 HG3 GLU 30 5.404 -0.796 -7.654 242 H HIS 31 H HIS 31 7.730 0.084 -3.550 243 HA HIS 31 HA HIS 31 9.600 -1.764 -4.568 244 HB2 HIS 31 HB2 HIS 31 10.008 0.463 -3.358 245 HB3 HIS 31 HB3 HIS 31 9.793 -0.449 -1.871 246 HD1 HIS 31 HD1 HIS 31 11.801 -1.665 -1.001 247 HD2 HIS 31 HD2 HIS 31 12.254 -0.466 -4.953 248 HE1 HIS 31 HE1 HIS 31 14.182 -2.174 -1.591 249 HE2 HIS 31 HE2 HIS 31 14.481 -1.238 -3.907 250 H GLN 32 H GLN 32 7.785 -1.683 -1.527 251 HA GLN 32 HA GLN 32 8.766 -4.190 -0.599 252 HB2 GLN 32 HB2 GLN 32 7.115 -4.059 1.162 253 HB3 GLN 32 HB3 GLN 32 7.780 -2.465 0.901 254 HG2 GLN 32 HG2 GLN 32 5.530 -2.029 1.181 255 HG3 GLN 32 HG3 GLN 32 5.701 -2.060 -0.571 256 HE21 GLN 32 HE21 GLN 32 5.649 -4.957 1.430 257 HE22 GLN 32 HE22 GLN 32 4.128 -5.535 0.860 258 H LEU 33 H LEU 33 6.140 -3.306 -2.716 259 HA LEU 33 HA LEU 33 4.821 -5.811 -2.665 260 HB2 LEU 33 HB2 LEU 33 3.682 -3.817 -3.455 261 HB3 LEU 33 HB3 LEU 33 4.847 -3.610 -4.738 262 HG LEU 33 HG LEU 33 2.470 -4.549 -5.275 263 HD11 LEU 33 HD11 LEU 33 4.957 -5.840 -6.374 264 HD12 LEU 33 HD12 LEU 33 4.225 -4.332 -6.922 265 HD13 LEU 33 HD13 LEU 33 3.366 -5.858 -7.136 266 HD21 LEU 33 HD21 LEU 33 3.824 -7.162 -4.583 267 HD22 LEU 33 HD22 LEU 33 2.165 -6.903 -5.131 268 HD23 LEU 33 HD23 LEU 33 2.657 -6.368 -3.525 269 H LEU 34 H LEU 34 7.301 -4.429 -4.864 270 HA LEU 34 HA LEU 34 7.331 -6.736 -6.510 271 HB2 LEU 34 HB2 LEU 34 9.383 -5.816 -7.493 272 HB3 LEU 34 HB3 LEU 34 8.107 -4.627 -7.408 273 HG LEU 34 HG LEU 34 9.355 -3.879 -5.212 274 HD11 LEU 34 HD11 LEU 34 11.778 -4.158 -5.366 275 HD12 LEU 34 HD12 LEU 34 11.566 -5.234 -6.747 276 HD13 LEU 34 HD13 LEU 34 10.959 -5.707 -5.161 277 HD21 LEU 34 HD21 LEU 34 10.695 -2.319 -6.553 278 HD22 LEU 34 HD22 LEU 34 9.052 -2.479 -7.169 279 HD23 LEU 34 HD23 LEU 34 10.384 -3.296 -7.987 280 H TYR 35 H TYR 35 8.934 -5.854 -3.563 281 HA TYR 35 HA TYR 35 10.901 -7.892 -3.607 282 HB2 TYR 35 HB2 TYR 35 11.128 -6.000 -2.079 283 HB3 TYR 35 HB3 TYR 35 9.640 -6.458 -1.256 284 HD1 TYR 35 HD1 TYR 35 13.116 -7.566 -1.948 285 HD2 TYR 35 HD2 TYR 35 9.670 -8.044 0.504 286 HE1 TYR 35 HE1 TYR 35 14.403 -9.002 -0.424 287 HE2 TYR 35 HE2 TYR 35 10.950 -9.478 2.033 288 HH TYR 35 HH TYR 35 14.339 -9.742 1.909 289 H LEU 36 H LEU 36 7.599 -7.686 -2.190 290 HA LEU 36 HA LEU 36 7.553 -10.179 -0.983 291 HB2 LEU 36 HB2 LEU 36 6.019 -8.141 -0.727 292 HB3 LEU 36 HB3 LEU 36 5.213 -8.690 -2.177 293 HG LEU 36 HG LEU 36 4.043 -9.250 -0.045 294 HD11 LEU 36 HD11 LEU 36 4.884 -11.654 -1.642 295 HD12 LEU 36 HD12 LEU 36 3.626 -10.508 -2.098 296 HD13 LEU 36 HD13 LEU 36 3.431 -11.497 -0.652 297 HD21 LEU 36 HD21 LEU 36 6.015 -9.702 1.322 298 HD22 LEU 36 HD22 LEU 36 6.347 -11.151 0.372 299 HD23 LEU 36 HD23 LEU 36 4.883 -11.054 1.350 300 H GLN 37 H GLN 37 6.886 -9.129 -4.285 301 HA GLN 37 HA GLN 37 5.561 -11.399 -5.204 302 HB2 GLN 37 HB2 GLN 37 7.399 -9.566 -6.756 303 HB3 GLN 37 HB3 GLN 37 6.283 -10.721 -7.472 304 HG2 GLN 37 HG2 GLN 37 5.512 -8.380 -5.746 305 HG3 GLN 37 HG3 GLN 37 5.404 -8.443 -7.503 306 HE21 GLN 37 HE21 GLN 37 3.159 -8.002 -7.307 307 HE22 GLN 37 HE22 GLN 37 2.051 -9.237 -6.818 308 H HIS 38 H HIS 38 8.970 -10.773 -4.727 309 HA HIS 38 HA HIS 38 9.881 -13.094 -6.105 310 HB2 HIS 38 HB2 HIS 38 11.171 -11.174 -4.199 311 HB3 HIS 38 HB3 HIS 38 11.991 -12.666 -4.647 312 HD1 HIS 38 HD1 HIS 38 12.817 -12.878 -7.088 313 HD2 HIS 38 HD2 HIS 38 11.026 -9.234 -6.209 314 HE1 HIS 38 HE1 HIS 38 13.351 -11.380 -9.025 315 HE2 HIS 38 HE2 HIS 38 12.100 -9.249 -8.559 316 H GLN 39 H GLN 39 8.823 -12.412 -2.809 317 HA GLN 39 HA GLN 39 9.759 -14.857 -1.724 318 HB2 GLN 39 HB2 GLN 39 7.662 -12.893 -0.781 319 HB3 GLN 39 HB3 GLN 39 8.194 -14.285 0.148 320 HG2 GLN 39 HG2 GLN 39 9.910 -11.963 -0.707 321 HG3 GLN 39 HG3 GLN 39 9.276 -12.251 0.912 322 HE21 GLN 39 HE21 GLN 39 10.140 -13.940 2.145 323 HE22 GLN 39 HE22 GLN 39 11.667 -14.654 1.774 324 H LEU 40 H LEU 40 6.639 -13.658 -2.980 325 HA LEU 40 HA LEU 40 5.065 -15.860 -2.690 326 HB2 LEU 40 HB2 LEU 40 4.282 -13.748 -3.585 327 HB3 LEU 40 HB3 LEU 40 5.275 -13.951 -5.013 328 HG LEU 40 HG LEU 40 3.891 -15.907 -5.654 329 HD11 LEU 40 HD11 LEU 40 1.749 -16.259 -4.536 330 HD12 LEU 40 HD12 LEU 40 2.180 -15.050 -3.328 331 HD13 LEU 40 HD13 LEU 40 3.103 -16.548 -3.443 332 HD21 LEU 40 HD21 LEU 40 1.941 -14.596 -6.341 333 HD22 LEU 40 HD22 LEU 40 3.445 -13.708 -6.584 334 HD23 LEU 40 HD23 LEU 40 2.406 -13.323 -5.214 335 H ASP 41 H ASP 41 7.384 -15.195 -5.308 336 HA ASP 41 HA ASP 41 6.991 -17.485 -6.833 337 HB2 ASP 41 HB2 ASP 41 8.354 -15.547 -7.523 338 HB3 ASP 41 HB3 ASP 41 9.565 -15.974 -6.321 339 H GLU 42 H GLU 42 8.948 -16.933 -3.989 340 HA GLU 42 HA GLU 42 10.176 -19.519 -3.910 341 HB2 GLU 42 HB2 GLU 42 11.129 -17.635 -2.666 342 HB3 GLU 42 HB3 GLU 42 9.684 -17.542 -1.671 343 HG2 GLU 42 HG2 GLU 42 10.155 -19.726 -0.740 344 HG3 GLU 42 HG3 GLU 42 11.570 -19.880 -1.779 345 H LEU 43 H LEU 43 7.348 -18.109 -2.435 346 HA LEU 43 HA LEU 43 6.443 -20.262 -0.891 347 HB2 LEU 43 HB2 LEU 43 5.400 -18.051 -0.771 348 HB3 LEU 43 HB3 LEU 43 4.733 -18.265 -2.378 349 HG LEU 43 HG LEU 43 3.427 -20.222 -1.481 350 HD11 LEU 43 HD11 LEU 43 4.382 -19.183 1.164 351 HD12 LEU 43 HD12 LEU 43 4.782 -20.739 0.434 352 HD13 LEU 43 HD13 LEU 43 3.123 -20.393 0.918 353 HD21 LEU 43 HD21 LEU 43 2.911 -17.542 -0.200 354 HD22 LEU 43 HD22 LEU 43 1.737 -18.844 -0.381 355 HD23 LEU 43 HD23 LEU 43 2.389 -18.042 -1.808 356 H ASN 44 H ASN 44 5.923 -19.618 -4.347 357 HA ASN 44 HA ASN 44 4.150 -21.690 -4.929 358 HB2 ASN 44 HB2 ASN 44 6.202 -20.161 -6.496 359 HB3 ASN 44 HB3 ASN 44 5.414 -21.549 -7.233 360 HD21 ASN 44 HD21 ASN 44 4.952 -18.338 -5.937 361 HD22 ASN 44 HD22 ASN 44 3.425 -18.052 -6.696 362 H GLU 45 H GLU 45 7.636 -21.643 -4.628 363 HA GLU 45 HA GLU 45 7.995 -24.323 -5.558 364 HB2 GLU 45 HB2 GLU 45 9.639 -22.476 -5.847 365 HB3 GLU 45 HB3 GLU 45 9.906 -22.486 -4.113 366 HG2 GLU 45 HG2 GLU 45 11.676 -23.666 -5.154 367 HG3 GLU 45 HG3 GLU 45 10.666 -24.833 -4.302 368 H ASN 46 H ASN 46 8.083 -22.710 -2.385 369 HA ASN 46 HA ASN 46 8.883 -25.109 -0.997 370 HB2 ASN 46 HB2 ASN 46 8.113 -22.353 -0.067 371 HB3 ASN 46 HB3 ASN 46 8.416 -23.667 1.063 372 HD21 ASN 46 HD21 ASN 46 10.166 -22.559 1.942 373 HD22 ASN 46 HD22 ASN 46 11.681 -22.436 1.119 374 H LYS 47 H LYS 47 5.960 -23.411 -1.588 375 HA LYS 47 HA LYS 47 3.689 -23.807 -1.086 376 HB2 LYS 47 HB2 LYS 47 4.722 -26.642 -0.809 377 HB3 LYS 47 HB3 LYS 47 3.023 -26.203 -0.891 378 HG2 LYS 47 HG2 LYS 47 5.028 -25.662 -3.075 379 HG3 LYS 47 HG3 LYS 47 3.957 -27.061 -3.018 380 HD2 LYS 47 HD2 LYS 47 2.013 -25.484 -2.989 381 HD3 LYS 47 HD3 LYS 47 3.144 -24.151 -3.229 382 HE2 LYS 47 HE2 LYS 47 2.111 -24.914 -5.331 383 HE3 LYS 47 HE3 LYS 47 3.866 -25.083 -5.332 384 HZ1 LYS 47 HZ1 LYS 47 3.618 -27.428 -4.857 385 HZ2 LYS 47 HZ2 LYS 47 2.756 -27.034 -6.253 386 HZ3 LYS 47 HZ3 LYS 47 1.938 -27.278 -4.798 387 H SER 48 H SER 48 5.666 -23.294 1.070 388 HA SER 48 HA SER 48 4.914 -24.788 3.376 389 HB2 SER 48 HB2 SER 48 7.084 -23.808 3.390 390 HB3 SER 48 HB3 SER 48 6.433 -22.190 3.123 391 HG SER 48 HG SER 48 7.058 -22.923 5.366 392 H LYS 49 H LYS 49 3.159 -24.652 4.537 393 HA LYS 49 HA LYS 49 1.102 -22.834 4.089 394 HB2 LYS 49 HB2 LYS 49 0.051 -23.792 6.124 395 HB3 LYS 49 HB3 LYS 49 0.592 -25.010 4.986 396 HG2 LYS 49 HG2 LYS 49 2.180 -24.206 7.412 397 HG3 LYS 49 HG3 LYS 49 0.985 -25.505 7.429 398 HD2 LYS 49 HD2 LYS 49 2.306 -26.542 5.515 399 HD3 LYS 49 HD3 LYS 49 3.561 -25.352 5.870 400 HE2 LYS 49 HE2 LYS 49 2.503 -27.447 7.758 401 HE3 LYS 49 HE3 LYS 49 4.066 -27.449 6.943 402 HZ1 LYS 49 HZ1 LYS 49 4.175 -26.716 9.277 403 HZ2 LYS 49 HZ2 LYS 49 3.211 -25.382 8.904 404 HZ3 LYS 49 HZ3 LYS 49 4.746 -25.540 8.204 405 H GLU 50 H GLU 50 3.483 -22.946 6.659 406 HA GLU 50 HA GLU 50 2.473 -20.656 8.014 407 HB2 GLU 50 HB2 GLU 50 4.711 -20.588 9.158 408 HB3 GLU 50 HB3 GLU 50 3.841 -22.103 9.308 409 HG2 GLU 50 HG2 GLU 50 5.224 -23.050 7.511 410 HG3 GLU 50 HG3 GLU 50 6.120 -21.533 7.435 411 H LEU 51 H LEU 51 4.674 -21.093 5.426 412 HA LEU 51 HA LEU 51 5.692 -18.414 5.392 413 HB2 LEU 51 HB2 LEU 51 6.828 -20.256 4.197 414 HB3 LEU 51 HB3 LEU 51 5.465 -20.373 3.103 415 HG LEU 51 HG LEU 51 5.938 -18.082 2.294 416 HD11 LEU 51 HD11 LEU 51 8.075 -17.034 2.862 417 HD12 LEU 51 HD12 LEU 51 8.371 -18.304 4.050 418 HD13 LEU 51 HD13 LEU 51 7.023 -17.188 4.270 419 HD21 LEU 51 HD21 LEU 51 7.932 -18.653 1.006 420 HD22 LEU 51 HD22 LEU 51 6.829 -20.027 1.111 421 HD23 LEU 51 HD23 LEU 51 8.278 -19.979 2.115 422 H GLN 52 H GLN 52 3.091 -20.112 3.716 423 HA GLN 52 HA GLN 52 2.082 -18.032 2.162 424 HB2 GLN 52 HB2 GLN 52 1.382 -20.409 2.005 425 HB3 GLN 52 HB3 GLN 52 0.534 -20.239 3.533 426 HG2 GLN 52 HG2 GLN 52 -0.847 -18.445 2.450 427 HG3 GLN 52 HG3 GLN 52 -0.105 -18.904 0.919 428 HE21 GLN 52 HE21 GLN 52 -1.968 -19.606 -0.010 429 HE22 GLN 52 HE22 GLN 52 -2.806 -21.033 0.500 430 H GLU 53 H GLU 53 1.352 -18.975 5.493 431 HA GLU 53 HA GLU 53 -0.688 -17.133 5.921 432 HB2 GLU 53 HB2 GLU 53 -0.212 -19.153 7.302 433 HB3 GLU 53 HB3 GLU 53 1.171 -18.305 7.983 434 HG2 GLU 53 HG2 GLU 53 -0.291 -16.583 8.838 435 HG3 GLU 53 HG3 GLU 53 -1.679 -17.409 8.136 436 H LYS 54 H LYS 54 2.806 -16.959 6.630 437 HA LYS 54 HA LYS 54 2.704 -14.412 7.867 438 HB2 LYS 54 HB2 LYS 54 4.970 -15.706 6.354 439 HB3 LYS 54 HB3 LYS 54 5.126 -14.287 7.372 440 HG2 LYS 54 HG2 LYS 54 4.337 -15.701 9.292 441 HG3 LYS 54 HG3 LYS 54 4.476 -17.095 8.214 442 HD2 LYS 54 HD2 LYS 54 6.709 -15.198 8.935 443 HD3 LYS 54 HD3 LYS 54 6.487 -16.823 9.583 444 HE2 LYS 54 HE2 LYS 54 6.893 -17.816 7.471 445 HE3 LYS 54 HE3 LYS 54 6.789 -16.266 6.642 446 HZ1 LYS 54 HZ1 LYS 54 8.804 -15.564 7.708 447 HZ2 LYS 54 HZ2 LYS 54 9.077 -17.035 6.926 448 HZ3 LYS 54 HZ3 LYS 54 8.892 -16.996 8.602 449 H ILE 55 H ILE 55 3.239 -15.429 4.583 450 HA ILE 55 HA ILE 55 3.852 -12.927 3.468 451 HB ILE 55 HB ILE 55 2.580 -15.341 2.168 452 HG12 ILE 55 HG12 ILE 55 5.364 -14.157 2.020 453 HG13 ILE 55 HG13 ILE 55 4.904 -15.579 2.948 454 HG21 ILE 55 HG21 ILE 55 3.574 -12.829 0.826 455 HG22 ILE 55 HG22 ILE 55 1.889 -13.338 0.939 456 HG23 ILE 55 HG23 ILE 55 3.041 -14.296 0.005 457 HD11 ILE 55 HD11 ILE 55 6.034 -16.141 0.856 458 HD12 ILE 55 HD12 ILE 55 4.751 -15.334 -0.048 459 HD13 ILE 55 HD13 ILE 55 4.389 -16.769 0.910 460 H ILE 56 H ILE 56 0.671 -14.496 3.851 461 HA ILE 56 HA ILE 56 -0.699 -12.249 2.761 462 HB ILE 56 HB ILE 56 -1.711 -14.533 2.745 463 HG12 ILE 56 HG12 ILE 56 -3.388 -12.449 4.161 464 HG13 ILE 56 HG13 ILE 56 -3.084 -12.498 2.429 465 HG21 ILE 56 HG21 ILE 56 -2.817 -15.394 4.738 466 HG22 ILE 56 HG22 ILE 56 -2.166 -14.055 5.684 467 HG23 ILE 56 HG23 ILE 56 -1.076 -15.252 4.984 468 HD11 ILE 56 HD11 ILE 56 -5.279 -13.385 2.972 469 HD12 ILE 56 HD12 ILE 56 -4.545 -14.591 4.028 470 HD13 ILE 56 HD13 ILE 56 -4.247 -14.641 2.289 471 H ARG 57 H ARG 57 0.437 -13.067 5.941 472 HA ARG 57 HA ARG 57 -1.219 -11.287 7.428 473 HB2 ARG 57 HB2 ARG 57 1.479 -12.499 8.022 474 HB3 ARG 57 HB3 ARG 57 0.621 -11.478 9.158 475 HG2 ARG 57 HG2 ARG 57 -0.238 -14.158 8.108 476 HG3 ARG 57 HG3 ARG 57 0.280 -13.761 9.748 477 HD2 ARG 57 HD2 ARG 57 -1.653 -12.169 9.842 478 HD3 ARG 57 HD3 ARG 57 -2.203 -12.884 8.323 479 HE ARG 57 HE ARG 57 -2.214 -15.053 9.581 480 HH11 ARG 57 HH11 ARG 57 -2.709 -11.978 11.219 481 HH12 ARG 57 HH12 ARG 57 -3.565 -12.673 12.544 482 HH21 ARG 57 HH21 ARG 57 -3.342 -15.989 11.361 483 HH22 ARG 57 HH22 ARG 57 -3.919 -14.966 12.627 484 H GLU 58 H GLU 58 2.153 -11.021 6.249 485 HA GLU 58 HA GLU 58 2.404 -8.356 7.169 486 HB2 GLU 58 HB2 GLU 58 4.070 -9.893 5.167 487 HB3 GLU 58 HB3 GLU 58 4.511 -8.339 5.865 488 HG2 GLU 58 HG2 GLU 58 4.579 -9.323 8.085 489 HG3 GLU 58 HG3 GLU 58 4.066 -10.875 7.433 490 H LEU 59 H LEU 59 1.387 -9.822 4.183 491 HA LEU 59 HA LEU 59 1.427 -7.490 2.573 492 HB2 LEU 59 HB2 LEU 59 1.179 -9.785 1.668 493 HB3 LEU 59 HB3 LEU 59 -0.417 -9.879 2.381 494 HG LEU 59 HG LEU 59 -1.163 -8.034 0.907 495 HD11 LEU 59 HD11 LEU 59 0.973 -6.920 0.570 496 HD12 LEU 59 HD12 LEU 59 0.244 -7.358 -0.974 497 HD13 LEU 59 HD13 LEU 59 1.573 -8.317 -0.325 498 HD21 LEU 59 HD21 LEU 59 -1.522 -10.347 0.247 499 HD22 LEU 59 HD22 LEU 59 0.069 -10.394 -0.510 500 HD23 LEU 59 HD23 LEU 59 -1.189 -9.343 -1.163 501 H ASP 60 H ASP 60 -1.011 -8.948 4.668 502 HA ASP 60 HA ASP 60 -3.122 -7.191 4.100 503 HB2 ASP 60 HB2 ASP 60 -3.543 -9.310 5.166 504 HB3 ASP 60 HB3 ASP 60 -2.565 -8.850 6.556 505 H VAL 61 H VAL 61 -0.709 -7.095 6.754 506 HA VAL 61 HA VAL 61 -1.883 -4.844 7.983 507 HB VAL 61 HB VAL 61 0.222 -4.578 9.236 508 HG11 VAL 61 HG11 VAL 61 -1.443 -6.141 10.038 509 HG12 VAL 61 HG12 VAL 61 0.176 -6.754 10.372 510 HG13 VAL 61 HG13 VAL 61 -0.761 -7.420 9.033 511 HG21 VAL 61 HG21 VAL 61 1.226 -6.798 7.464 512 HG22 VAL 61 HG22 VAL 61 2.039 -6.226 8.922 513 HG23 VAL 61 HG23 VAL 61 1.845 -5.149 7.539 514 H VAL 62 H VAL 62 0.618 -5.124 5.514 515 HA VAL 62 HA VAL 62 1.212 -2.331 5.458 516 HB VAL 62 HB VAL 62 1.677 -4.445 3.331 517 HG11 VAL 62 HG11 VAL 62 2.832 -1.664 3.563 518 HG12 VAL 62 HG12 VAL 62 1.647 -2.192 2.369 519 HG13 VAL 62 HG13 VAL 62 3.275 -2.869 2.354 520 HG21 VAL 62 HG21 VAL 62 2.874 -4.911 5.399 521 HG22 VAL 62 HG22 VAL 62 3.534 -3.277 5.406 522 HG23 VAL 62 HG23 VAL 62 4.000 -4.410 4.137 523 H CYS 63 H CYS 63 -1.018 -4.435 3.773 524 HA CYS 63 HA CYS 63 -1.930 -2.561 1.852 525 HB2 CYS 63 HB2 CYS 63 -2.420 -4.983 1.684 526 HB3 CYS 63 HB3 CYS 63 -3.448 -4.869 3.107 527 HG CYS 63 HG CYS 63 -5.330 -3.163 1.840 528 H ALA 64 H ALA 64 -2.932 -3.319 5.152 529 HA ALA 64 HA ALA 64 -5.258 -1.722 5.188 530 HB1 ALA 64 HB1 ALA 64 -3.541 -2.631 7.485 531 HB2 ALA 64 HB2 ALA 64 -4.801 -3.598 6.719 532 HB3 ALA 64 HB3 ALA 64 -5.226 -2.108 7.566 533 H MET 65 H MET 65 -1.956 -1.160 6.453 534 HA MET 65 HA MET 65 -2.511 1.401 7.470 535 HB2 MET 65 HB2 MET 65 -0.145 1.729 7.673 536 HB3 MET 65 HB3 MET 65 -0.484 0.040 8.022 537 HG2 MET 65 HG2 MET 65 0.252 -0.576 5.786 538 HG3 MET 65 HG3 MET 65 0.569 1.117 5.421 539 HE1 MET 65 HE1 MET 65 2.914 -1.419 8.466 540 HE2 MET 65 HE2 MET 65 1.599 -2.007 7.443 541 HE3 MET 65 HE3 MET 65 1.258 -0.877 8.752 542 H ILE 66 H ILE 66 -1.469 0.335 4.286 543 HA ILE 66 HA ILE 66 -1.053 2.906 3.198 544 HB ILE 66 HB ILE 66 -1.191 0.149 2.148 545 HG12 ILE 66 HG12 ILE 66 0.766 0.899 0.856 546 HG13 ILE 66 HG13 ILE 66 0.480 2.551 1.388 547 HG21 ILE 66 HG21 ILE 66 -2.909 1.104 0.730 548 HG22 ILE 66 HG22 ILE 66 -1.444 0.786 -0.198 549 HG23 ILE 66 HG23 ILE 66 -1.836 2.435 0.293 550 HD11 ILE 66 HD11 ILE 66 1.155 0.242 3.212 551 HD12 ILE 66 HD12 ILE 66 0.985 1.936 3.670 552 HD13 ILE 66 HD13 ILE 66 2.304 1.439 2.612 553 H GLU 67 H GLU 67 -3.899 0.800 3.335 554 HA GLU 67 HA GLU 67 -5.553 2.366 1.664 555 HB2 GLU 67 HB2 GLU 67 -6.205 0.406 3.854 556 HB3 GLU 67 HB3 GLU 67 -7.435 1.193 2.878 557 HG2 GLU 67 HG2 GLU 67 -6.476 0.184 0.867 558 HG3 GLU 67 HG3 GLU 67 -5.253 -0.612 1.859 559 H GLY 68 H GLY 68 -4.842 2.440 5.094 560 HA2 GLY 68 HA2 GLY 68 -6.896 4.232 5.849 561 HA3 GLY 68 HA3 GLY 68 -5.430 3.897 6.758 562 H ALA 69 H ALA 69 -3.493 4.735 5.021 563 HA ALA 69 HA ALA 69 -3.540 7.533 5.485 564 HB1 ALA 69 HB1 ALA 69 -1.466 6.226 5.536 565 HB2 ALA 69 HB2 ALA 69 -1.362 7.566 4.394 566 HB3 ALA 69 HB3 ALA 69 -1.620 5.923 3.805 567 H GLN 70 H GLN 70 -3.990 5.542 2.634 568 HA GLN 70 HA GLN 70 -3.976 7.732 0.787 569 HB2 GLN 70 HB2 GLN 70 -4.788 6.254 -0.903 570 HB3 GLN 70 HB3 GLN 70 -3.578 5.404 0.041 571 HG2 GLN 70 HG2 GLN 70 -5.267 4.178 1.191 572 HG3 GLN 70 HG3 GLN 70 -6.541 5.107 0.397 573 HE21 GLN 70 HE21 GLN 70 -6.826 4.858 -1.825 574 HE22 GLN 70 HE22 GLN 70 -6.348 3.406 -2.636 575 H GLY 71 H GLY 71 -6.486 6.098 2.578 576 HA2 GLY 71 HA2 GLY 71 -8.700 7.417 1.357 577 HA3 GLY 71 HA3 GLY 71 -8.724 6.617 2.922 578 H ALA 72 H ALA 72 -6.779 8.100 4.173 579 HA ALA 72 HA ALA 72 -8.331 10.303 5.134 580 HB1 ALA 72 HB1 ALA 72 -6.806 9.047 6.601 581 HB2 ALA 72 HB2 ALA 72 -6.436 10.772 6.599 582 HB3 ALA 72 HB3 ALA 72 -5.430 9.654 5.677 583 H LEU 73 H LEU 73 -5.236 10.072 3.408 584 HA LEU 73 HA LEU 73 -4.831 12.770 2.968 585 HB2 LEU 73 HB2 LEU 73 -3.172 10.941 2.642 586 HB3 LEU 73 HB3 LEU 73 -4.004 10.497 1.168 587 HG LEU 73 HG LEU 73 -3.475 12.730 0.238 588 HD11 LEU 73 HD11 LEU 73 -3.248 13.993 2.287 589 HD12 LEU 73 HD12 LEU 73 -1.758 14.092 1.351 590 HD13 LEU 73 HD13 LEU 73 -1.848 13.027 2.754 591 HD21 LEU 73 HD21 LEU 73 -2.065 10.816 -0.281 592 HD22 LEU 73 HD22 LEU 73 -1.113 11.104 1.174 593 HD23 LEU 73 HD23 LEU 73 -1.091 12.278 -0.141 594 H GLU 74 H GLU 74 -6.572 10.394 0.966 595 HA GLU 74 HA GLU 74 -7.086 11.944 -1.271 596 HB2 GLU 74 HB2 GLU 74 -8.394 9.625 0.022 597 HB3 GLU 74 HB3 GLU 74 -9.376 10.521 -1.127 598 HG2 GLU 74 HG2 GLU 74 -6.636 9.482 -1.788 599 HG3 GLU 74 HG3 GLU 74 -8.109 8.542 -2.033 600 H ARG 75 H ARG 75 -9.120 11.622 1.621 601 HA ARG 75 HA ARG 75 -11.119 13.430 0.847 602 HB2 ARG 75 HB2 ARG 75 -11.352 11.902 2.744 603 HB3 ARG 75 HB3 ARG 75 -10.123 12.795 3.628 604 HG2 ARG 75 HG2 ARG 75 -11.604 14.793 3.539 605 HG3 ARG 75 HG3 ARG 75 -12.855 13.771 2.826 606 HD2 ARG 75 HD2 ARG 75 -13.215 13.960 5.209 607 HD3 ARG 75 HD3 ARG 75 -12.743 12.311 4.799 608 HE ARG 75 HE ARG 75 -10.590 14.067 5.621 609 HH11 ARG 75 HH11 ARG 75 -12.935 11.653 6.606 610 HH12 ARG 75 HH12 ARG 75 -12.066 11.199 8.029 611 HH21 ARG 75 HH21 ARG 75 -9.433 13.481 7.531 612 HH22 ARG 75 HH22 ARG 75 -10.068 12.241 8.555 613 H GLU 76 H GLU 76 -8.035 13.976 2.473 614 HA GLU 76 HA GLU 76 -8.536 16.724 2.999 615 HB2 GLU 76 HB2 GLU 76 -6.921 15.303 4.260 616 HB3 GLU 76 HB3 GLU 76 -5.879 15.306 2.846 617 HG2 GLU 76 HG2 GLU 76 -5.633 17.717 3.006 618 HG3 GLU 76 HG3 GLU 76 -6.719 17.745 4.396 619 H LEU 77 H LEU 77 -6.307 15.136 0.604 620 HA LEU 77 HA LEU 77 -5.659 17.512 -0.622 621 HB2 LEU 77 HB2 LEU 77 -4.790 16.126 -2.482 622 HB3 LEU 77 HB3 LEU 77 -4.211 15.661 -0.905 623 HG LEU 77 HG LEU 77 -5.856 13.744 -0.974 624 HD11 LEU 77 HD11 LEU 77 -6.732 13.067 -3.136 625 HD12 LEU 77 HD12 LEU 77 -6.077 14.526 -3.876 626 HD13 LEU 77 HD13 LEU 77 -7.366 14.646 -2.677 627 HD21 LEU 77 HD21 LEU 77 -3.814 13.808 -3.188 628 HD22 LEU 77 HD22 LEU 77 -4.427 12.380 -2.352 629 HD23 LEU 77 HD23 LEU 77 -3.436 13.556 -1.488 630 H LYS 78 H LYS 78 -8.563 15.645 -1.028 631 HA LYS 78 HA LYS 78 -9.051 16.440 -3.699 632 HB2 LYS 78 HB2 LYS 78 -10.328 14.834 -1.734 633 HB3 LYS 78 HB3 LYS 78 -11.501 16.010 -2.326 634 HG2 LYS 78 HG2 LYS 78 -11.706 14.101 -3.729 635 HG3 LYS 78 HG3 LYS 78 -10.848 15.334 -4.658 636 HD2 LYS 78 HD2 LYS 78 -8.712 14.233 -3.989 637 HD3 LYS 78 HD3 LYS 78 -9.669 12.918 -3.306 638 HE2 LYS 78 HE2 LYS 78 -10.695 12.582 -5.545 639 HE3 LYS 78 HE3 LYS 78 -9.624 13.836 -6.174 640 HZ1 LYS 78 HZ1 LYS 78 -7.723 12.476 -5.575 641 HZ2 LYS 78 HZ2 LYS 78 -8.753 11.590 -6.586 642 HZ3 LYS 78 HZ3 LYS 78 -8.726 11.289 -4.924 643 H ARG 79 H ARG 79 -9.958 17.677 -0.551 644 HA ARG 79 HA ARG 79 -11.491 19.855 -1.629 645 HB2 ARG 79 HB2 ARG 79 -10.519 19.288 1.177 646 HB3 ARG 79 HB3 ARG 79 -11.609 20.598 0.740 647 HG2 ARG 79 HG2 ARG 79 -13.305 19.041 0.058 648 HG3 ARG 79 HG3 ARG 79 -12.201 17.682 0.282 649 HD2 ARG 79 HD2 ARG 79 -13.110 19.540 2.474 650 HD3 ARG 79 HD3 ARG 79 -13.823 17.964 2.134 651 HE ARG 79 HE ARG 79 -11.265 17.305 2.465 652 HH11 ARG 79 HH11 ARG 79 -13.371 19.352 4.394 653 HH12 ARG 79 HH12 ARG 79 -12.555 19.015 5.880 654 HH21 ARG 79 HH21 ARG 79 -10.177 16.851 4.476 655 HH22 ARG 79 HH22 ARG 79 -10.747 17.599 5.925 656 H THR 80 H THR 80 -8.265 19.347 -0.399 657 HA THR 80 HA THR 80 -7.602 22.171 -0.709 658 HB THR 80 HB THR 80 -5.712 19.967 0.133 659 HG1 THR 80 HG1 THR 80 -7.138 19.733 1.718 660 HG21 THR 80 HG21 THR 80 -4.609 21.805 1.348 661 HG22 THR 80 HG22 THR 80 -5.835 22.928 0.761 662 HG23 THR 80 HG23 THR 80 -4.726 22.163 -0.375 663 H ASP 81 H ASP 81 -8.085 21.817 -3.133 664 HA ASP 81 HA ASP 81 -5.664 21.169 -4.541 665 HB2 ASP 81 HB2 ASP 81 -6.616 19.002 -4.651 666 HB3 ASP 81 HB3 ASP 81 -8.249 19.638 -4.800 667 H LEU 82 H LEU 82 -5.421 22.791 -6.014 668 HA LEU 82 HA LEU 82 -7.565 23.780 -7.547 669 HB2 LEU 82 HB2 LEU 82 -7.845 24.866 -5.194 670 HB3 LEU 82 HB3 LEU 82 -6.439 25.812 -5.632 671 HG LEU 82 HG LEU 82 -8.973 25.797 -7.277 672 HD11 LEU 82 HD11 LEU 82 -8.163 27.705 -5.089 673 HD12 LEU 82 HD12 LEU 82 -9.509 26.565 -5.036 674 HD13 LEU 82 HD13 LEU 82 -9.535 27.910 -6.177 675 HD21 LEU 82 HD21 LEU 82 -6.658 27.730 -7.135 676 HD22 LEU 82 HD22 LEU 82 -8.092 27.905 -8.148 677 HD23 LEU 82 HD23 LEU 82 -6.965 26.577 -8.435 678 H ASN 83 H ASN 83 -6.263 23.439 -9.261 679 HA ASN 83 HA ASN 83 -4.641 25.292 -10.360 680 HB2 ASN 83 HB2 ASN 83 -3.144 24.845 -8.325 681 HB3 ASN 83 HB3 ASN 83 -2.757 23.313 -9.103 682 HD21 ASN 83 HD21 ASN 83 -2.360 26.729 -9.199 683 HD22 ASN 83 HD22 ASN 83 -1.177 26.768 -10.457 684 H ILE 84 H ILE 84 -4.005 24.676 -12.387 685 HA ILE 84 HA ILE 84 -4.996 22.283 -13.466 686 HB ILE 84 HB ILE 84 -2.940 24.182 -14.622 687 HG12 ILE 84 HG12 ILE 84 -5.917 23.925 -15.102 688 HG13 ILE 84 HG13 ILE 84 -5.144 25.184 -14.150 689 HG21 ILE 84 HG21 ILE 84 -2.775 22.000 -15.700 690 HG22 ILE 84 HG22 ILE 84 -3.475 23.188 -16.800 691 HG23 ILE 84 HG23 ILE 84 -4.512 22.005 -16.004 692 HD11 ILE 84 HD11 ILE 84 -4.748 24.720 -17.097 693 HD12 ILE 84 HD12 ILE 84 -4.011 26.008 -16.140 694 HD13 ILE 84 HD13 ILE 84 -5.759 25.970 -16.372 695 H LEU 85 H LEU 85 -1.677 23.160 -12.465 696 HA LEU 85 HA LEU 85 -0.472 20.794 -13.503 697 HB2 LEU 85 HB2 LEU 85 0.650 23.033 -13.024 698 HB3 LEU 85 HB3 LEU 85 0.585 22.612 -11.330 699 HG LEU 85 HG LEU 85 2.021 20.881 -13.345 700 HD11 LEU 85 HD11 LEU 85 3.143 23.160 -11.726 701 HD12 LEU 85 HD12 LEU 85 2.964 23.115 -13.480 702 HD13 LEU 85 HD13 LEU 85 4.083 22.011 -12.679 703 HD21 LEU 85 HD21 LEU 85 3.259 20.120 -11.372 704 HD22 LEU 85 HD22 LEU 85 1.527 19.851 -11.177 705 HD23 LEU 85 HD23 LEU 85 2.306 21.200 -10.353 706 H GLU 86 H GLU 86 -1.340 21.869 -10.218 707 HA GLU 86 HA GLU 86 -0.640 19.532 -8.907 708 HB2 GLU 86 HB2 GLU 86 -2.658 21.656 -8.253 709 HB3 GLU 86 HB3 GLU 86 -2.534 20.219 -7.261 710 HG2 GLU 86 HG2 GLU 86 -1.236 21.875 -6.202 711 HG3 GLU 86 HG3 GLU 86 -0.104 20.751 -6.944 712 H ARG 87 H ARG 87 -3.683 20.334 -10.614 713 HA ARG 87 HA ARG 87 -5.196 18.173 -9.777 714 HB2 ARG 87 HB2 ARG 87 -5.683 20.250 -11.375 715 HB3 ARG 87 HB3 ARG 87 -5.359 19.049 -12.617 716 HG2 ARG 87 HG2 ARG 87 -7.614 18.824 -12.402 717 HG3 ARG 87 HG3 ARG 87 -7.066 17.621 -11.230 718 HD2 ARG 87 HD2 ARG 87 -8.766 18.891 -10.160 719 HD3 ARG 87 HD3 ARG 87 -7.227 19.416 -9.474 720 HE ARG 87 HE ARG 87 -7.920 21.053 -11.673 721 HH11 ARG 87 HH11 ARG 87 -8.689 20.512 -8.295 722 HH12 ARG 87 HH12 ARG 87 -9.397 22.081 -8.075 723 HH21 ARG 87 HH21 ARG 87 -8.806 23.133 -11.391 724 HH22 ARG 87 HH22 ARG 87 -9.470 23.592 -9.866 725 H PHE 88 H PHE 88 -2.985 18.516 -12.503 726 HA PHE 88 HA PHE 88 -3.325 15.957 -13.602 727 HB2 PHE 88 HB2 PHE 88 -2.317 17.675 -14.927 728 HB3 PHE 88 HB3 PHE 88 -1.042 17.928 -13.744 729 HD1 PHE 88 HD1 PHE 88 -2.425 15.184 -15.869 730 HD2 PHE 88 HD2 PHE 88 1.003 17.056 -14.193 731 HE1 PHE 88 HE1 PHE 88 -0.980 13.607 -17.087 732 HE2 PHE 88 HE2 PHE 88 2.460 15.478 -15.405 733 HZ PHE 88 HZ PHE 88 1.469 13.754 -16.854 734 H ASN 89 H ASN 89 -1.054 17.182 -11.220 735 HA ASN 89 HA ASN 89 0.454 14.790 -10.941 736 HB2 ASN 89 HB2 ASN 89 0.043 17.133 -9.081 737 HB3 ASN 89 HB3 ASN 89 1.042 15.757 -8.630 738 HD21 ASN 89 HD21 ASN 89 2.902 17.039 -8.526 739 HD22 ASN 89 HD22 ASN 89 3.682 17.633 -9.947 740 H TYR 90 H TYR 90 -2.324 16.064 -9.171 741 HA TYR 90 HA TYR 90 -2.791 14.031 -7.351 742 HB2 TYR 90 HB2 TYR 90 -4.526 15.953 -8.830 743 HB3 TYR 90 HB3 TYR 90 -5.299 14.662 -7.923 744 HD1 TYR 90 HD1 TYR 90 -2.263 16.652 -7.087 745 HD2 TYR 90 HD2 TYR 90 -6.290 15.701 -6.145 746 HE1 TYR 90 HE1 TYR 90 -2.089 17.983 -5.033 747 HE2 TYR 90 HE2 TYR 90 -6.137 17.015 -4.103 748 HH TYR 90 HH TYR 90 -4.764 18.133 -2.739 749 H GLU 91 H GLU 91 -4.172 14.348 -10.593 750 HA GLU 91 HA GLU 91 -5.537 11.934 -10.680 751 HB2 GLU 91 HB2 GLU 91 -5.863 13.801 -12.245 752 HB3 GLU 91 HB3 GLU 91 -4.299 13.459 -12.969 753 HG2 GLU 91 HG2 GLU 91 -5.046 11.423 -13.874 754 HG3 GLU 91 HG3 GLU 91 -6.499 11.425 -12.875 755 H GLU 92 H GLU 92 -2.205 12.664 -11.634 756 HA GLU 92 HA GLU 92 -1.673 10.100 -12.684 757 HB2 GLU 92 HB2 GLU 92 -0.263 12.003 -13.257 758 HB3 GLU 92 HB3 GLU 92 0.241 12.165 -11.580 759 HG2 GLU 92 HG2 GLU 92 1.437 10.105 -11.661 760 HG3 GLU 92 HG3 GLU 92 0.771 9.720 -13.247 761 H ALA 93 H ALA 93 -0.999 11.475 -9.392 762 HA ALA 93 HA ALA 93 0.196 9.188 -8.376 763 HB1 ALA 93 HB1 ALA 93 -0.335 10.143 -6.189 764 HB2 ALA 93 HB2 ALA 93 -1.443 11.282 -6.952 765 HB3 ALA 93 HB3 ALA 93 0.285 11.375 -7.288 766 H GLN 94 H GLN 94 -3.171 10.185 -8.554 767 HA GLN 94 HA GLN 94 -4.334 8.108 -7.064 768 HB2 GLN 94 HB2 GLN 94 -5.486 10.188 -7.795 769 HB3 GLN 94 HB3 GLN 94 -5.470 9.590 -9.445 770 HG2 GLN 94 HG2 GLN 94 -6.870 7.692 -8.737 771 HG3 GLN 94 HG3 GLN 94 -6.931 8.374 -7.112 772 HE21 GLN 94 HE21 GLN 94 -7.975 8.706 -10.398 773 HE22 GLN 94 HE22 GLN 94 -9.200 9.890 -10.110 774 H THR 95 H THR 95 -3.617 8.436 -10.475 775 HA THR 95 HA THR 95 -4.584 5.995 -11.382 776 HB THR 95 HB THR 95 -2.163 7.466 -12.443 777 HG1 THR 95 HG1 THR 95 -3.989 8.801 -12.504 778 HG21 THR 95 HG21 THR 95 -2.653 6.308 -14.550 779 HG22 THR 95 HG22 THR 95 -3.991 5.457 -13.777 780 HG23 THR 95 HG23 THR 95 -2.336 5.144 -13.262 781 H LEU 96 H LEU 96 -1.315 6.769 -10.092 782 HA LEU 96 HA LEU 96 -0.313 4.165 -10.558 783 HB2 LEU 96 HB2 LEU 96 0.704 6.333 -8.727 784 HB3 LEU 96 HB3 LEU 96 1.582 4.879 -9.159 785 HG LEU 96 HG LEU 96 0.758 7.064 -11.075 786 HD11 LEU 96 HD11 LEU 96 2.519 7.789 -9.573 787 HD12 LEU 96 HD12 LEU 96 3.151 7.545 -11.201 788 HD13 LEU 96 HD13 LEU 96 3.457 6.342 -9.948 789 HD21 LEU 96 HD21 LEU 96 2.198 5.867 -12.674 790 HD22 LEU 96 HD22 LEU 96 0.802 4.911 -12.183 791 HD23 LEU 96 HD23 LEU 96 2.392 4.565 -11.503 792 H SER 97 H SER 97 -1.669 5.766 -7.696 793 HA SER 97 HA SER 97 -1.066 3.722 -5.877 794 HB2 SER 97 HB2 SER 97 -3.048 4.712 -4.565 795 HB3 SER 97 HB3 SER 97 -1.687 5.777 -4.916 796 HG SER 97 HG SER 97 -2.859 6.825 -6.401 797 H LYS 98 H LYS 98 -3.823 4.254 -7.932 798 HA LYS 98 HA LYS 98 -5.486 2.163 -7.083 799 HB2 LYS 98 HB2 LYS 98 -6.030 4.061 -8.678 800 HB3 LYS 98 HB3 LYS 98 -5.210 3.138 -9.925 801 HG2 LYS 98 HG2 LYS 98 -6.813 1.287 -9.521 802 HG3 LYS 98 HG3 LYS 98 -7.671 2.351 -8.403 803 HD2 LYS 98 HD2 LYS 98 -7.196 2.890 -11.342 804 HD3 LYS 98 HD3 LYS 98 -8.720 2.361 -10.628 805 HE2 LYS 98 HE2 LYS 98 -8.871 4.420 -9.352 806 HE3 LYS 98 HE3 LYS 98 -7.293 4.934 -9.947 807 HZ1 LYS 98 HZ1 LYS 98 -9.071 6.013 -11.153 808 HZ2 LYS 98 HZ2 LYS 98 -9.725 4.528 -11.609 809 HZ3 LYS 98 HZ3 LYS 98 -8.207 4.996 -12.186 810 H ILE 99 H ILE 99 -3.006 2.299 -9.583 811 HA ILE 99 HA ILE 99 -3.170 -0.345 -10.488 812 HB ILE 99 HB ILE 99 -0.772 1.499 -10.412 813 HG12 ILE 99 HG12 ILE 99 -2.681 0.791 -12.653 814 HG13 ILE 99 HG13 ILE 99 -2.699 2.295 -11.742 815 HG21 ILE 99 HG21 ILE 99 -0.018 -0.803 -10.576 816 HG22 ILE 99 HG22 ILE 99 0.210 0.024 -12.120 817 HG23 ILE 99 HG23 ILE 99 -1.138 -1.096 -11.907 818 HD11 ILE 99 HD11 ILE 99 -0.473 2.832 -12.600 819 HD12 ILE 99 HD12 ILE 99 -1.640 2.589 -13.902 820 HD13 ILE 99 HD13 ILE 99 -0.471 1.326 -13.519 821 H LEU 100 H LEU 100 -1.253 1.104 -7.904 822 HA LEU 100 HA LEU 100 0.278 -1.116 -7.187 823 HB2 LEU 100 HB2 LEU 100 0.798 1.117 -6.415 824 HB3 LEU 100 HB3 LEU 100 -0.698 1.189 -5.507 825 HG LEU 100 HG LEU 100 0.136 -0.621 -4.038 826 HD11 LEU 100 HD11 LEU 100 2.514 -1.213 -4.116 827 HD12 LEU 100 HD12 LEU 100 2.688 -0.288 -5.608 828 HD13 LEU 100 HD13 LEU 100 1.656 -1.718 -5.571 829 HD21 LEU 100 HD21 LEU 100 1.769 0.746 -2.839 830 HD22 LEU 100 HD22 LEU 100 0.408 1.717 -3.399 831 HD23 LEU 100 HD23 LEU 100 1.948 1.780 -4.256 832 H LEU 101 H LEU 101 -2.805 0.022 -5.826 833 HA LEU 101 HA LEU 101 -3.092 -1.971 -3.888 834 HB2 LEU 101 HB2 LEU 101 -4.949 -0.085 -5.238 835 HB3 LEU 101 HB3 LEU 101 -5.658 -1.427 -4.366 836 HG LEU 101 HG LEU 101 -5.560 0.633 -3.019 837 HD11 LEU 101 HD11 LEU 101 -3.792 -1.581 -1.998 838 HD12 LEU 101 HD12 LEU 101 -5.551 -1.521 -1.901 839 HD13 LEU 101 HD13 LEU 101 -4.577 -0.349 -1.013 840 HD21 LEU 101 HD21 LEU 101 -3.521 1.601 -3.951 841 HD22 LEU 101 HD22 LEU 101 -2.566 0.308 -3.224 842 HD23 LEU 101 HD23 LEU 101 -3.413 1.464 -2.195 843 H LYS 102 H LYS 102 -4.279 -1.908 -7.253 844 HA LYS 102 HA LYS 102 -5.628 -4.348 -7.161 845 HB2 LYS 102 HB2 LYS 102 -4.191 -3.019 -9.455 846 HB3 LYS 102 HB3 LYS 102 -5.212 -4.438 -9.635 847 HG2 LYS 102 HG2 LYS 102 -7.091 -3.083 -8.655 848 HG3 LYS 102 HG3 LYS 102 -6.036 -1.674 -8.785 849 HD2 LYS 102 HD2 LYS 102 -6.859 -3.461 -11.075 850 HD3 LYS 102 HD3 LYS 102 -7.560 -1.884 -10.708 851 HE2 LYS 102 HE2 LYS 102 -5.471 -0.790 -11.146 852 HE3 LYS 102 HE3 LYS 102 -4.640 -2.337 -11.303 853 HZ1 LYS 102 HZ1 LYS 102 -5.834 -2.809 -13.284 854 HZ2 LYS 102 HZ2 LYS 102 -5.195 -1.252 -13.442 855 HZ3 LYS 102 HZ3 LYS 102 -6.832 -1.456 -13.087 856 H ASP 103 H ASP 103 -2.180 -3.682 -8.008 857 HA ASP 103 HA ASP 103 -1.478 -6.309 -8.587 858 HB2 ASP 103 HB2 ASP 103 -0.157 -4.029 -8.801 859 HB3 ASP 103 HB3 ASP 103 0.456 -4.472 -7.216 860 H LEU 104 H LEU 104 -1.686 -4.600 -5.401 861 HA LEU 104 HA LEU 104 -0.400 -6.573 -3.899 862 HB2 LEU 104 HB2 LEU 104 -2.541 -4.576 -3.148 863 HB3 LEU 104 HB3 LEU 104 -1.612 -5.519 -2.006 864 HG LEU 104 HG LEU 104 -0.441 -3.466 -3.886 865 HD11 LEU 104 HD11 LEU 104 -1.895 -2.427 -2.226 866 HD12 LEU 104 HD12 LEU 104 -0.201 -2.071 -1.899 867 HD13 LEU 104 HD13 LEU 104 -1.047 -3.282 -0.938 868 HD21 LEU 104 HD21 LEU 104 1.135 -5.204 -3.269 869 HD22 LEU 104 HD22 LEU 104 0.747 -4.977 -1.564 870 HD23 LEU 104 HD23 LEU 104 1.544 -3.689 -2.468 871 H LYS 105 H LYS 105 -3.869 -5.903 -4.461 872 HA LYS 105 HA LYS 105 -4.804 -8.093 -2.981 873 HB2 LYS 105 HB2 LYS 105 -6.247 -6.763 -5.279 874 HB3 LYS 105 HB3 LYS 105 -6.972 -7.682 -3.972 875 HG2 LYS 105 HG2 LYS 105 -5.564 -5.028 -3.719 876 HG3 LYS 105 HG3 LYS 105 -7.301 -5.301 -3.641 877 HD2 LYS 105 HD2 LYS 105 -5.511 -6.738 -1.712 878 HD3 LYS 105 HD3 LYS 105 -5.861 -5.034 -1.447 879 HE2 LYS 105 HE2 LYS 105 -7.487 -6.164 -0.193 880 HE3 LYS 105 HE3 LYS 105 -8.326 -5.682 -1.660 881 HZ1 LYS 105 HZ1 LYS 105 -8.889 -7.918 -1.106 882 HZ2 LYS 105 HZ2 LYS 105 -7.273 -8.391 -1.015 883 HZ3 LYS 105 HZ3 LYS 105 -7.958 -7.958 -2.511 884 H GLU 106 H GLU 106 -3.840 -7.866 -6.366 885 HA GLU 106 HA GLU 106 -4.825 -10.399 -7.175 886 HB2 GLU 106 HB2 GLU 106 -3.985 -8.627 -8.738 887 HB3 GLU 106 HB3 GLU 106 -2.349 -8.994 -8.209 888 HG2 GLU 106 HG2 GLU 106 -2.799 -11.377 -8.957 889 HG3 GLU 106 HG3 GLU 106 -4.239 -10.745 -9.749 890 H THR 107 H THR 107 -1.885 -9.327 -5.668 891 HA THR 107 HA THR 107 -0.430 -11.750 -5.742 892 HB THR 107 HB THR 107 -0.291 -9.534 -3.678 893 HG1 THR 107 HG1 THR 107 0.121 -8.610 -5.655 894 HG21 THR 107 HG21 THR 107 1.776 -11.571 -4.520 895 HG22 THR 107 HG22 THR 107 0.869 -11.610 -3.009 896 HG23 THR 107 HG23 THR 107 2.001 -10.295 -3.326 897 H GLU 108 H GLU 108 -2.503 -10.275 -3.293 898 HA GLU 108 HA GLU 108 -2.607 -12.139 -1.312 899 HB2 GLU 108 HB2 GLU 108 -3.780 -10.042 -1.204 900 HB3 GLU 108 HB3 GLU 108 -4.802 -10.488 -2.556 901 HG2 GLU 108 HG2 GLU 108 -5.648 -12.370 -1.042 902 HG3 GLU 108 HG3 GLU 108 -4.893 -11.458 0.269 903 H GLN 109 H GLN 109 -4.685 -12.105 -4.215 904 HA GLN 109 HA GLN 109 -6.015 -14.512 -3.752 905 HB2 GLN 109 HB2 GLN 109 -5.306 -13.334 -6.435 906 HB3 GLN 109 HB3 GLN 109 -6.572 -14.505 -6.114 907 HG2 GLN 109 HG2 GLN 109 -7.657 -12.790 -4.652 908 HG3 GLN 109 HG3 GLN 109 -6.465 -11.634 -5.250 909 HE21 GLN 109 HE21 GLN 109 -7.968 -10.346 -6.270 910 HE22 GLN 109 HE22 GLN 109 -8.806 -10.851 -7.695 911 H LYS 110 H LYS 110 -2.942 -13.855 -5.365 912 HA LYS 110 HA LYS 110 -2.584 -16.469 -6.353 913 HB2 LYS 110 HB2 LYS 110 -1.446 -14.447 -7.257 914 HB3 LYS 110 HB3 LYS 110 -0.457 -14.398 -5.806 915 HG2 LYS 110 HG2 LYS 110 0.719 -15.408 -7.697 916 HG3 LYS 110 HG3 LYS 110 0.524 -16.542 -6.357 917 HD2 LYS 110 HD2 LYS 110 0.040 -17.732 -8.358 918 HD3 LYS 110 HD3 LYS 110 -1.496 -17.432 -7.551 919 HE2 LYS 110 HE2 LYS 110 -1.726 -17.027 -9.923 920 HE3 LYS 110 HE3 LYS 110 -1.882 -15.509 -9.040 921 HZ1 LYS 110 HZ1 LYS 110 0.359 -14.930 -9.647 922 HZ2 LYS 110 HZ2 LYS 110 -0.498 -15.333 -11.045 923 HZ3 LYS 110 HZ3 LYS 110 0.600 -16.432 -10.385 924 H VAL 111 H VAL 111 -1.553 -14.866 -3.377 925 HA VAL 111 HA VAL 111 0.094 -16.908 -2.344 926 HB VAL 111 HB VAL 111 -1.697 -14.971 -0.830 927 HG11 VAL 111 HG11 VAL 111 -0.134 -15.319 1.045 928 HG12 VAL 111 HG12 VAL 111 0.677 -16.576 0.112 929 HG13 VAL 111 HG13 VAL 111 -1.004 -16.788 0.604 930 HG21 VAL 111 HG21 VAL 111 -0.111 -13.840 -2.320 931 HG22 VAL 111 HG22 VAL 111 1.219 -14.716 -1.557 932 HG23 VAL 111 HG23 VAL 111 0.271 -13.562 -0.621 933 H LYS 112 H LYS 112 -3.347 -16.273 -2.110 934 HA LYS 112 HA LYS 112 -3.988 -18.562 -0.550 935 HB2 LYS 112 HB2 LYS 112 -5.672 -16.805 -2.331 936 HB3 LYS 112 HB3 LYS 112 -6.315 -18.037 -1.256 937 HG2 LYS 112 HG2 LYS 112 -5.652 -16.853 0.665 938 HG3 LYS 112 HG3 LYS 112 -4.615 -15.771 -0.265 939 HD2 LYS 112 HD2 LYS 112 -6.727 -14.700 0.435 940 HD3 LYS 112 HD3 LYS 112 -6.539 -14.760 -1.316 941 HE2 LYS 112 HE2 LYS 112 -8.802 -15.335 -0.741 942 HE3 LYS 112 HE3 LYS 112 -7.980 -16.759 -1.370 943 HZ1 LYS 112 HZ1 LYS 112 -7.639 -17.498 0.937 944 HZ2 LYS 112 HZ2 LYS 112 -9.277 -17.332 0.566 945 HZ3 LYS 112 HZ3 LYS 112 -8.500 -16.153 1.491 946 H ASP 113 H ASP 113 -3.352 -18.025 -3.871 947 HA ASP 113 HA ASP 113 -4.869 -20.144 -4.987 948 HB2 ASP 113 HB2 ASP 113 -4.109 -18.327 -6.402 949 HB3 ASP 113 HB3 ASP 113 -2.429 -18.701 -6.034 950 H ILE 114 H ILE 114 -1.572 -19.929 -3.645 951 HA ILE 114 HA ILE 114 -0.799 -22.504 -4.531 952 HB ILE 114 HB ILE 114 0.288 -20.446 -2.655 953 HG12 ILE 114 HG12 ILE 114 2.345 -20.818 -3.973 954 HG13 ILE 114 HG13 ILE 114 1.516 -22.076 -4.880 955 HG21 ILE 114 HG21 ILE 114 0.482 -22.419 -1.286 956 HG22 ILE 114 HG22 ILE 114 2.071 -21.927 -1.867 957 HG23 ILE 114 HG23 ILE 114 1.245 -23.300 -2.609 958 HD11 ILE 114 HD11 ILE 114 1.605 -20.019 -6.119 959 HD12 ILE 114 HD12 ILE 114 0.787 -19.167 -4.806 960 HD13 ILE 114 HD13 ILE 114 -0.061 -20.424 -5.711 961 H GLN 115 H GLN 115 -1.460 -24.412 -3.778 962 HA GLN 115 HA GLN 115 -3.034 -24.587 -1.399 963 HB2 GLN 115 HB2 GLN 115 -3.189 -26.968 -1.956 964 HB3 GLN 115 HB3 GLN 115 -3.558 -25.971 -3.356 965 HG2 GLN 115 HG2 GLN 115 -1.236 -26.351 -4.154 966 HG3 GLN 115 HG3 GLN 115 -1.004 -27.459 -2.806 967 HE21 GLN 115 HE21 GLN 115 -2.511 -26.956 -5.871 968 HE22 GLN 115 HE22 GLN 115 -3.062 -28.577 -6.101 969 H THR 116 H THR 116 -2.229 -24.853 0.593 970 HA THR 116 HA THR 116 0.451 -25.994 0.818 971 HB THR 116 HB THR 116 0.604 -24.723 2.946 972 HG1 THR 116 HG1 THR 116 -1.262 -22.896 2.624 973 HG21 THR 116 HG21 THR 116 0.855 -22.507 1.909 974 HG22 THR 116 HG22 THR 116 -0.070 -23.068 0.514 975 HG23 THR 116 HG23 THR 116 1.503 -23.780 0.870 976 H GLN 117 H GLN 117 0.597 -26.627 3.408 977 HA GLN 117 HA GLN 117 -1.147 -28.882 3.632 978 HB2 GLN 117 HB2 GLN 117 1.014 -27.877 5.471 979 HB3 GLN 117 HB3 GLN 117 0.134 -29.378 5.690 980 HG2 GLN 117 HG2 GLN 117 1.021 -30.257 3.633 981 HG3 GLN 117 HG3 GLN 117 1.824 -28.726 3.292 982 HE21 GLN 117 HE21 GLN 117 1.816 -31.575 5.279 983 HE22 GLN 117 HE22 GLN 117 3.422 -31.387 5.892 Start of MODEL 20 1 H GLN 1 H1 GLN 1 46.917 16.493 -1.414 2 HA GLN 1 HA GLN 1 45.390 16.091 0.403 3 HB2 GLN 1 HB2 GLN 1 47.292 17.706 0.623 4 HB3 GLN 1 HB3 GLN 1 46.189 19.006 0.198 5 HG2 GLN 1 HG2 GLN 1 44.854 18.508 2.187 6 HG3 GLN 1 HG3 GLN 1 45.984 17.224 2.613 7 HE21 GLN 1 HE21 GLN 1 46.515 18.194 4.545 8 HE22 GLN 1 HE22 GLN 1 47.498 19.613 4.633 9 H GLU 2 H GLU 2 44.238 18.004 -2.120 10 HA GLU 2 HA GLU 2 42.143 19.386 -0.835 11 HB2 GLU 2 HB2 GLU 2 42.407 18.659 -3.757 12 HB3 GLU 2 HB3 GLU 2 41.375 19.910 -3.081 13 HG2 GLU 2 HG2 GLU 2 43.189 21.091 -3.943 14 HG3 GLU 2 HG3 GLU 2 43.550 20.977 -2.223 15 H HIS 3 H HIS 3 40.767 18.159 0.297 16 HA HIS 3 HA HIS 3 39.468 15.873 -1.015 17 HB2 HIS 3 HB2 HIS 3 39.886 16.639 1.859 18 HB3 HIS 3 HB3 HIS 3 38.596 15.529 1.417 19 HD1 HIS 3 HD1 HIS 3 39.234 13.130 1.126 20 HD2 HIS 3 HD2 HIS 3 42.534 15.651 1.144 21 HE1 HIS 3 HE1 HIS 3 41.236 11.619 1.150 22 HE2 HIS 3 HE2 HIS 3 43.215 13.166 1.019 23 H LYS 4 H LYS 4 37.967 17.018 -2.279 24 HA LYS 4 HA LYS 4 36.211 18.954 -1.358 25 HB2 LYS 4 HB2 LYS 4 35.914 16.862 -3.516 26 HB3 LYS 4 HB3 LYS 4 34.727 18.126 -3.245 27 HG2 LYS 4 HG2 LYS 4 36.446 19.822 -3.683 28 HG3 LYS 4 HG3 LYS 4 37.617 18.537 -3.986 29 HD2 LYS 4 HD2 LYS 4 36.347 17.760 -5.882 30 HD3 LYS 4 HD3 LYS 4 35.049 18.901 -5.530 31 HE2 LYS 4 HE2 LYS 4 36.412 19.734 -7.353 32 HE3 LYS 4 HE3 LYS 4 36.600 20.765 -5.936 33 HZ1 LYS 4 HZ1 LYS 4 38.505 18.652 -6.789 34 HZ2 LYS 4 HZ2 LYS 4 38.696 19.675 -5.458 35 HZ3 LYS 4 HZ3 LYS 4 38.711 20.313 -7.020 36 HA PRO 5 HA PRO 5 33.335 17.057 1.376 37 HB2 PRO 5 HB2 PRO 5 30.946 18.057 0.413 38 HB3 PRO 5 HB3 PRO 5 32.055 18.947 1.461 39 HG2 PRO 5 HG2 PRO 5 31.766 19.053 -1.517 40 HG3 PRO 5 HG3 PRO 5 31.989 20.385 -0.366 41 HD2 PRO 5 HD2 PRO 5 34.026 19.485 -1.824 42 HD3 PRO 5 HD3 PRO 5 34.262 19.956 -0.127 43 H LYS 6 H LYS 6 31.248 15.813 1.416 44 HA LYS 6 HA LYS 6 31.136 13.983 -0.888 45 HB2 LYS 6 HB2 LYS 6 32.399 12.946 0.942 46 HB3 LYS 6 HB3 LYS 6 31.062 13.233 2.043 47 HG2 LYS 6 HG2 LYS 6 31.014 10.936 1.393 48 HG3 LYS 6 HG3 LYS 6 29.652 11.749 0.622 49 HD2 LYS 6 HD2 LYS 6 30.445 10.572 -1.169 50 HD3 LYS 6 HD3 LYS 6 31.416 12.032 -1.342 51 HE2 LYS 6 HE2 LYS 6 32.269 9.454 -0.028 52 HE3 LYS 6 HE3 LYS 6 32.789 10.048 -1.598 53 HZ1 LYS 6 HZ1 LYS 6 34.435 10.446 0.117 54 HZ2 LYS 6 HZ2 LYS 6 33.340 11.370 1.000 55 HZ3 LYS 6 HZ3 LYS 6 33.866 11.903 -0.512 56 H LYS 7 H LYS 7 29.122 13.179 -1.422 57 HA LYS 7 HA LYS 7 26.867 14.486 -0.107 58 HB2 LYS 7 HB2 LYS 7 27.046 14.695 -2.571 59 HB3 LYS 7 HB3 LYS 7 26.951 12.949 -2.712 60 HG2 LYS 7 HG2 LYS 7 24.791 13.830 -3.210 61 HG3 LYS 7 HG3 LYS 7 24.707 13.044 -1.630 62 HD2 LYS 7 HD2 LYS 7 23.520 15.050 -1.359 63 HD3 LYS 7 HD3 LYS 7 25.094 15.360 -0.634 64 HE2 LYS 7 HE2 LYS 7 24.328 16.162 -3.443 65 HE3 LYS 7 HE3 LYS 7 24.202 17.226 -2.048 66 HZ1 LYS 7 HZ1 LYS 7 26.657 16.839 -1.745 67 HZ2 LYS 7 HZ2 LYS 7 26.211 17.729 -3.102 68 HZ3 LYS 7 HZ3 LYS 7 26.664 16.122 -3.279 69 H ASP 8 H ASP 8 25.229 13.340 0.797 70 HA ASP 8 HA ASP 8 25.844 10.582 1.491 71 HB2 ASP 8 HB2 ASP 8 23.636 12.411 2.423 72 HB3 ASP 8 HB3 ASP 8 24.032 10.843 3.121 73 H ASP 9 H ASP 9 24.919 8.875 0.320 74 HA ASP 9 HA ASP 9 23.055 9.336 -1.698 75 HB2 ASP 9 HB2 ASP 9 23.736 6.756 -0.266 76 HB3 ASP 9 HB3 ASP 9 22.960 6.900 -1.838 77 H PHE 10 H PHE 10 22.759 8.670 1.678 78 HA PHE 10 HA PHE 10 20.018 7.877 1.482 79 HB2 PHE 10 HB2 PHE 10 21.827 8.393 3.830 80 HB3 PHE 10 HB3 PHE 10 20.106 8.082 4.034 81 HD1 PHE 10 HD1 PHE 10 23.199 6.654 2.582 82 HD2 PHE 10 HD2 PHE 10 19.296 5.896 4.079 83 HE1 PHE 10 HE1 PHE 10 23.637 4.231 2.477 84 HE2 PHE 10 HE2 PHE 10 19.719 3.472 3.976 85 HZ PHE 10 HZ PHE 10 21.892 2.640 3.175 86 H ARG 11 H ARG 11 19.454 9.747 0.249 87 HA ARG 11 HA ARG 11 18.509 11.887 2.012 88 HB2 ARG 11 HB2 ARG 11 20.435 12.672 0.594 89 HB3 ARG 11 HB3 ARG 11 19.486 12.281 -0.831 90 HG2 ARG 11 HG2 ARG 11 19.355 14.643 -0.420 91 HG3 ARG 11 HG3 ARG 11 17.780 13.920 -0.092 92 HD2 ARG 11 HD2 ARG 11 18.316 13.893 2.313 93 HD3 ARG 11 HD3 ARG 11 19.864 14.657 1.962 94 HE ARG 11 HE ARG 11 17.704 16.184 0.924 95 HH11 ARG 11 HH11 ARG 11 19.422 15.444 3.888 96 HH12 ARG 11 HH12 ARG 11 18.979 16.916 4.677 97 HH21 ARG 11 HH21 ARG 11 17.099 18.144 1.973 98 HH22 ARG 11 HH22 ARG 11 17.661 18.469 3.579 99 H ASN 12 H ASN 12 16.478 11.083 2.148 100 HA ASN 12 HA ASN 12 15.058 10.633 -0.380 101 HB2 ASN 12 HB2 ASN 12 15.349 8.565 0.921 102 HB3 ASN 12 HB3 ASN 12 14.576 9.320 2.309 103 HD21 ASN 12 HD21 ASN 12 14.079 8.174 -0.959 104 HD22 ASN 12 HD22 ASN 12 12.376 7.957 -0.836 105 H GLU 13 H GLU 13 12.781 11.174 -0.369 106 HA GLU 13 HA GLU 13 12.352 13.736 0.770 107 HB2 GLU 13 HB2 GLU 13 10.103 13.533 -0.349 108 HB3 GLU 13 HB3 GLU 13 11.495 13.377 -1.406 109 HG2 GLU 13 HG2 GLU 13 11.174 10.822 -1.013 110 HG3 GLU 13 HG3 GLU 13 9.547 11.297 -0.521 111 H PHE 14 H PHE 14 11.870 14.043 2.754 112 HA PHE 14 HA PHE 14 9.756 12.454 4.044 113 HB2 PHE 14 HB2 PHE 14 12.305 13.482 5.332 114 HB3 PHE 14 HB3 PHE 14 10.950 12.795 6.217 115 HD1 PHE 14 HD2 PHE 14 10.222 10.385 5.342 116 HD2 PHE 14 HD1 PHE 14 14.079 12.119 4.863 117 HE1 PHE 14 HE2 PHE 14 11.196 8.140 5.083 118 HE2 PHE 14 HE1 PHE 14 15.059 9.877 4.606 119 HZ PHE 14 HZ PHE 14 13.618 7.885 4.716 120 H ASP 15 H ASP 15 10.081 15.048 2.557 121 HA ASP 15 HA ASP 15 9.936 17.294 4.177 122 HB2 ASP 15 HB2 ASP 15 8.535 16.844 1.535 123 HB3 ASP 15 HB3 ASP 15 8.901 18.405 2.265 124 H HIS 16 H HIS 16 7.456 14.980 3.379 125 HA HIS 16 HA HIS 16 5.439 14.529 4.287 126 HB2 HIS 16 HB2 HIS 16 6.199 16.633 6.312 127 HB3 HIS 16 HB3 HIS 16 4.722 15.687 6.400 128 HD1 HIS 16 HD1 HIS 16 7.514 15.757 8.219 129 HD2 HIS 16 HD2 HIS 16 5.952 12.713 5.864 130 HE1 HIS 16 HE1 HIS 16 8.501 13.635 9.120 131 HE2 HIS 16 HE2 HIS 16 7.306 11.809 7.874 132 H LEU 17 H LEU 17 5.270 15.959 2.049 133 HA LEU 17 HA LEU 17 3.183 17.945 2.642 134 HB2 LEU 17 HB2 LEU 17 5.119 17.738 0.367 135 HB3 LEU 17 HB3 LEU 17 3.588 18.547 0.127 136 HG LEU 17 HG LEU 17 5.216 20.217 0.553 137 HD11 LEU 17 HD11 LEU 17 4.364 21.314 2.515 138 HD12 LEU 17 HD12 LEU 17 3.695 19.801 3.112 139 HD13 LEU 17 HD13 LEU 17 3.046 20.533 1.643 140 HD21 LEU 17 HD21 LEU 17 5.979 18.671 3.025 141 HD22 LEU 17 HD22 LEU 17 6.612 20.252 2.565 142 HD23 LEU 17 HD23 LEU 17 6.943 18.843 1.558 143 H LEU 18 H LEU 18 1.525 18.042 0.790 144 HA LEU 18 HA LEU 18 0.005 15.747 0.923 145 HB2 LEU 18 HB2 LEU 18 -0.060 18.016 -1.057 146 HB3 LEU 18 HB3 LEU 18 -1.242 16.726 -1.086 147 HG LEU 18 HG LEU 18 -1.951 17.355 1.217 148 HD11 LEU 18 HD11 LEU 18 0.102 18.378 2.018 149 HD12 LEU 18 HD12 LEU 18 -1.248 19.506 2.150 150 HD13 LEU 18 HD13 LEU 18 -0.071 19.684 0.848 151 HD21 LEU 18 HD21 LEU 18 -3.129 18.224 -0.734 152 HD22 LEU 18 HD22 LEU 18 -2.037 19.609 -0.781 153 HD23 LEU 18 HD23 LEU 18 -3.124 19.389 0.589 154 H ILE 19 H ILE 19 1.541 16.843 -2.114 155 HA ILE 19 HA ILE 19 1.165 14.321 -3.348 156 HB ILE 19 HB ILE 19 2.829 16.714 -4.148 157 HG12 ILE 19 HG12 ILE 19 0.372 16.926 -4.231 158 HG13 ILE 19 HG13 ILE 19 1.098 17.007 -5.835 159 HG21 ILE 19 HG21 ILE 19 3.163 15.673 -6.323 160 HG22 ILE 19 HG22 ILE 19 2.345 14.217 -5.766 161 HG23 ILE 19 HG23 ILE 19 3.895 14.684 -5.055 162 HD11 ILE 19 HD11 ILE 19 -0.920 15.678 -5.866 163 HD12 ILE 19 HD12 ILE 19 -0.281 14.621 -4.614 164 HD13 ILE 19 HD13 ILE 19 0.478 14.662 -6.206 165 H GLU 20 H GLU 20 3.824 15.743 -1.563 166 HA GLU 20 HA GLU 20 5.822 13.879 -2.232 167 HB2 GLU 20 HB2 GLU 20 5.484 15.280 0.427 168 HB3 GLU 20 HB3 GLU 20 6.966 14.577 -0.201 169 HG2 GLU 20 HG2 GLU 20 5.502 16.946 -1.343 170 HG3 GLU 20 HG3 GLU 20 6.986 16.999 -0.390 171 H GLN 21 H GLN 21 3.270 13.807 0.214 172 HA GLN 21 HA GLN 21 4.155 11.402 1.453 173 HB2 GLN 21 HB2 GLN 21 1.506 12.838 1.514 174 HB3 GLN 21 HB3 GLN 21 1.817 11.362 2.417 175 HG2 GLN 21 HG2 GLN 21 3.268 13.981 2.734 176 HG3 GLN 21 HG3 GLN 21 2.056 13.318 3.828 177 HE21 GLN 21 HE21 GLN 21 2.586 11.561 5.111 178 HE22 GLN 21 HE22 GLN 21 4.224 11.094 5.409 179 H ALA 22 H ALA 22 2.193 12.152 -1.296 180 HA ALA 22 HA ALA 22 0.957 9.552 -1.473 181 HB1 ALA 22 HB1 ALA 22 1.169 11.765 -3.523 182 HB2 ALA 22 HB2 ALA 22 -0.165 11.534 -2.392 183 HB3 ALA 22 HB3 ALA 22 0.142 10.337 -3.651 184 H ASN 23 H ASN 23 3.500 11.321 -3.044 185 HA ASN 23 HA ASN 23 4.382 9.331 -4.848 186 HB2 ASN 23 HB2 ASN 23 5.722 11.743 -3.657 187 HB3 ASN 23 HB3 ASN 23 6.621 10.632 -4.679 188 HD21 ASN 23 HD21 ASN 23 6.953 12.194 -6.217 189 HD22 ASN 23 HD22 ASN 23 5.704 12.745 -7.274 190 H HIS 24 H HIS 24 5.236 10.068 -1.523 191 HA HIS 24 HA HIS 24 7.376 8.237 -1.367 192 HB2 HIS 24 HB2 HIS 24 6.711 10.164 0.261 193 HB3 HIS 24 HB3 HIS 24 5.696 8.941 1.017 194 HD1 HIS 24 HD1 HIS 24 6.835 7.896 2.955 195 HD2 HIS 24 HD2 HIS 24 9.520 9.001 -0.017 196 HE1 HIS 24 HE1 HIS 24 9.105 7.288 3.833 197 HE2 HIS 24 HE2 HIS 24 10.704 8.248 2.130 198 H ALA 25 H ALA 25 3.879 7.935 -0.529 199 HA ALA 25 HA ALA 25 4.006 5.363 0.471 200 HB1 ALA 25 HB1 ALA 25 1.728 6.700 -0.977 201 HB2 ALA 25 HB2 ALA 25 2.098 6.867 0.740 202 HB3 ALA 25 HB3 ALA 25 1.611 5.301 0.091 203 H ILE 26 H ILE 26 3.451 6.453 -2.892 204 HA ILE 26 HA ILE 26 2.986 3.822 -3.846 205 HB ILE 26 HB ILE 26 3.298 4.727 -6.128 206 HG12 ILE 26 HG12 ILE 26 3.900 7.331 -4.710 207 HG13 ILE 26 HG13 ILE 26 5.069 6.367 -5.606 208 HG21 ILE 26 HG21 ILE 26 1.557 6.390 -4.311 209 HG22 ILE 26 HG22 ILE 26 1.124 4.855 -5.064 210 HG23 ILE 26 HG23 ILE 26 1.392 6.283 -6.064 211 HD11 ILE 26 HD11 ILE 26 3.807 6.747 -7.659 212 HD12 ILE 26 HD12 ILE 26 4.297 8.267 -6.910 213 HD13 ILE 26 HD13 ILE 26 2.631 7.705 -6.758 214 H GLU 27 H GLU 27 5.913 5.701 -3.431 215 HA GLU 27 HA GLU 27 7.638 3.985 -4.904 216 HB2 GLU 27 HB2 GLU 27 8.064 6.371 -3.878 217 HB3 GLU 27 HB3 GLU 27 8.523 5.476 -2.440 218 HG2 GLU 27 HG2 GLU 27 9.815 5.282 -5.161 219 HG3 GLU 27 HG3 GLU 27 10.475 6.088 -3.744 220 H LYS 28 H LYS 28 6.658 4.150 -1.490 221 HA LYS 28 HA LYS 28 8.245 1.988 -0.611 222 HB2 LYS 28 HB2 LYS 28 7.270 3.702 0.892 223 HB3 LYS 28 HB3 LYS 28 5.672 3.045 0.573 224 HG2 LYS 28 HG2 LYS 28 6.362 0.912 1.560 225 HG3 LYS 28 HG3 LYS 28 7.951 1.598 1.901 226 HD2 LYS 28 HD2 LYS 28 6.824 3.345 3.277 227 HD3 LYS 28 HD3 LYS 28 5.298 2.492 3.029 228 HE2 LYS 28 HE2 LYS 28 6.225 1.849 5.157 229 HE3 LYS 28 HE3 LYS 28 6.308 0.479 4.053 230 HZ1 LYS 28 HZ1 LYS 28 8.358 0.684 5.262 231 HZ2 LYS 28 HZ2 LYS 28 8.541 2.292 4.775 232 HZ3 LYS 28 HZ3 LYS 28 8.651 1.053 3.638 233 H GLY 29 H GLY 29 4.842 2.242 -1.622 234 HA2 GLY 29 HA2 GLY 29 4.084 -0.401 -1.233 235 HA3 GLY 29 HA3 GLY 29 3.395 0.684 -2.431 236 H GLU 30 H GLU 30 5.651 1.122 -3.966 237 HA GLU 30 HA GLU 30 5.574 -1.093 -5.702 238 HB2 GLU 30 HB2 GLU 30 6.048 1.149 -6.518 239 HB3 GLU 30 HB3 GLU 30 7.538 1.199 -5.589 240 HG2 GLU 30 HG2 GLU 30 8.536 -0.472 -6.958 241 HG3 GLU 30 HG3 GLU 30 7.008 -0.792 -7.776 242 H HIS 31 H HIS 31 7.869 -0.071 -3.255 243 HA HIS 31 HA HIS 31 9.914 -1.939 -3.809 244 HB2 HIS 31 HB2 HIS 31 9.294 0.024 -1.744 245 HB3 HIS 31 HB3 HIS 31 10.056 -1.416 -1.083 246 HD1 HIS 31 HD1 HIS 31 10.878 1.783 -2.536 247 HD2 HIS 31 HD2 HIS 31 12.591 -2.014 -2.559 248 HE1 HIS 31 HE1 HIS 31 13.278 2.124 -3.133 249 HE2 HIS 31 HE2 HIS 31 14.257 -0.183 -3.301 250 H GLN 32 H GLN 32 7.314 -1.938 -1.420 251 HA GLN 32 HA GLN 32 7.978 -4.532 -0.433 252 HB2 GLN 32 HB2 GLN 32 5.950 -4.400 0.914 253 HB3 GLN 32 HB3 GLN 32 6.837 -2.896 0.988 254 HG2 GLN 32 HG2 GLN 32 4.631 -2.212 0.834 255 HG3 GLN 32 HG3 GLN 32 5.224 -2.061 -0.816 256 HE21 GLN 32 HE21 GLN 32 4.404 -5.157 0.643 257 HE22 GLN 32 HE22 GLN 32 3.010 -5.443 -0.329 258 H LEU 33 H LEU 33 5.873 -3.425 -3.003 259 HA LEU 33 HA LEU 33 4.431 -5.843 -3.273 260 HB2 LEU 33 HB2 LEU 33 3.677 -3.694 -4.240 261 HB3 LEU 33 HB3 LEU 33 5.018 -3.733 -5.362 262 HG LEU 33 HG LEU 33 2.652 -4.408 -6.190 263 HD11 LEU 33 HD11 LEU 33 3.582 -6.022 -7.775 264 HD12 LEU 33 HD12 LEU 33 5.026 -6.169 -6.775 265 HD13 LEU 33 HD13 LEU 33 4.646 -4.631 -7.554 266 HD21 LEU 33 HD21 LEU 33 3.490 -7.029 -4.936 267 HD22 LEU 33 HD22 LEU 33 2.070 -6.751 -5.942 268 HD23 LEU 33 HD23 LEU 33 2.184 -5.994 -4.355 269 H LEU 34 H LEU 34 7.340 -4.599 -4.960 270 HA LEU 34 HA LEU 34 7.602 -6.941 -6.551 271 HB2 LEU 34 HB2 LEU 34 9.821 -6.083 -7.145 272 HB3 LEU 34 HB3 LEU 34 8.594 -4.847 -7.290 273 HG LEU 34 HG LEU 34 9.441 -4.136 -4.901 274 HD11 LEU 34 HD11 LEU 34 10.946 -6.021 -4.563 275 HD12 LEU 34 HD12 LEU 34 11.833 -4.498 -4.597 276 HD13 LEU 34 HD13 LEU 34 11.858 -5.564 -6.001 277 HD21 LEU 34 HD21 LEU 34 10.995 -3.604 -7.427 278 HD22 LEU 34 HD22 LEU 34 11.053 -2.626 -5.962 279 HD23 LEU 34 HD23 LEU 34 9.555 -2.743 -6.885 280 H TYR 35 H TYR 35 8.552 -6.038 -3.413 281 HA TYR 35 HA TYR 35 10.562 -8.031 -3.016 282 HB2 TYR 35 HB2 TYR 35 10.591 -6.076 -1.592 283 HB3 TYR 35 HB3 TYR 35 8.970 -6.432 -1.004 284 HD1 TYR 35 HD1 TYR 35 12.354 -8.017 -1.197 285 HD2 TYR 35 HD2 TYR 35 8.760 -7.522 1.013 286 HE1 TYR 35 HE1 TYR 35 13.305 -9.345 0.641 287 HE2 TYR 35 HE2 TYR 35 9.694 -8.843 2.852 288 HH TYR 35 HH TYR 35 13.036 -9.785 2.933 289 H LEU 36 H LEU 36 7.157 -7.756 -1.840 290 HA LEU 36 HA LEU 36 7.065 -10.330 -0.758 291 HB2 LEU 36 HB2 LEU 36 5.583 -8.381 -0.206 292 HB3 LEU 36 HB3 LEU 36 4.793 -8.602 -1.750 293 HG LEU 36 HG LEU 36 4.848 -10.871 0.205 294 HD11 LEU 36 HD11 LEU 36 2.778 -10.046 1.197 295 HD12 LEU 36 HD12 LEU 36 2.921 -8.552 0.272 296 HD13 LEU 36 HD13 LEU 36 4.120 -8.946 1.506 297 HD21 LEU 36 HD21 LEU 36 2.708 -11.398 -0.855 298 HD22 LEU 36 HD22 LEU 36 3.986 -11.249 -2.060 299 HD23 LEU 36 HD23 LEU 36 2.827 -9.937 -1.839 300 H GLN 37 H GLN 37 6.429 -9.047 -3.962 301 HA GLN 37 HA GLN 37 5.064 -11.234 -5.040 302 HB2 GLN 37 HB2 GLN 37 5.365 -9.000 -6.133 303 HB3 GLN 37 HB3 GLN 37 7.018 -9.462 -6.511 304 HG2 GLN 37 HG2 GLN 37 6.197 -11.323 -7.855 305 HG3 GLN 37 HG3 GLN 37 4.539 -10.867 -7.463 306 HE21 GLN 37 HE21 GLN 37 3.652 -9.044 -8.395 307 HE22 GLN 37 HE22 GLN 37 4.365 -8.258 -9.756 308 H HIS 38 H HIS 38 8.511 -10.582 -4.657 309 HA HIS 38 HA HIS 38 9.473 -12.905 -5.993 310 HB2 HIS 38 HB2 HIS 38 10.816 -10.841 -5.315 311 HB3 HIS 38 HB3 HIS 38 10.836 -11.518 -3.689 312 HD1 HIS 38 HD1 HIS 38 11.920 -13.992 -3.539 313 HD2 HIS 38 HD2 HIS 38 12.784 -11.778 -6.939 314 HE1 HIS 38 HE1 HIS 38 13.843 -15.142 -4.613 315 HE2 HIS 38 HE2 HIS 38 14.222 -13.915 -6.766 316 H GLN 39 H GLN 39 8.735 -12.208 -2.585 317 HA GLN 39 HA GLN 39 9.335 -14.687 -1.502 318 HB2 GLN 39 HB2 GLN 39 7.039 -12.892 -0.700 319 HB3 GLN 39 HB3 GLN 39 7.771 -14.141 0.293 320 HG2 GLN 39 HG2 GLN 39 9.880 -12.884 0.293 321 HG3 GLN 39 HG3 GLN 39 9.107 -11.619 -0.660 322 HE21 GLN 39 HE21 GLN 39 9.363 -13.111 2.446 323 HE22 GLN 39 HE22 GLN 39 8.485 -11.911 3.324 324 H LEU 40 H LEU 40 6.264 -13.549 -2.882 325 HA LEU 40 HA LEU 40 4.705 -15.779 -2.601 326 HB2 LEU 40 HB2 LEU 40 3.952 -13.580 -3.427 327 HB3 LEU 40 HB3 LEU 40 4.804 -13.849 -4.928 328 HG LEU 40 HG LEU 40 2.252 -14.157 -4.882 329 HD11 LEU 40 HD11 LEU 40 2.348 -15.982 -6.514 330 HD12 LEU 40 HD12 LEU 40 4.004 -16.327 -6.019 331 HD13 LEU 40 HD13 LEU 40 3.615 -14.786 -6.784 332 HD21 LEU 40 HD21 LEU 40 2.155 -15.519 -2.856 333 HD22 LEU 40 HD22 LEU 40 3.077 -16.789 -3.661 334 HD23 LEU 40 HD23 LEU 40 1.463 -16.371 -4.236 335 H ASP 41 H ASP 41 6.991 -15.055 -5.240 336 HA ASP 41 HA ASP 41 6.533 -17.340 -6.790 337 HB2 ASP 41 HB2 ASP 41 7.852 -15.521 -7.679 338 HB3 ASP 41 HB3 ASP 41 9.036 -15.684 -6.388 339 H GLU 42 H GLU 42 8.621 -16.754 -4.045 340 HA GLU 42 HA GLU 42 9.949 -19.242 -4.110 341 HB2 GLU 42 HB2 GLU 42 10.810 -17.226 -2.945 342 HB3 GLU 42 HB3 GLU 42 9.536 -17.405 -1.748 343 HG2 GLU 42 HG2 GLU 42 10.454 -19.390 -0.911 344 HG3 GLU 42 HG3 GLU 42 11.511 -19.582 -2.308 345 H LEU 43 H LEU 43 6.895 -18.139 -2.536 346 HA LEU 43 HA LEU 43 6.553 -20.395 -0.903 347 HB2 LEU 43 HB2 LEU 43 5.408 -18.250 -0.579 348 HB3 LEU 43 HB3 LEU 43 4.580 -18.448 -2.109 349 HG LEU 43 HG LEU 43 3.499 -20.512 -1.142 350 HD11 LEU 43 HD11 LEU 43 5.080 -20.955 0.625 351 HD12 LEU 43 HD12 LEU 43 3.451 -20.744 1.267 352 HD13 LEU 43 HD13 LEU 43 4.633 -19.445 1.419 353 HD21 LEU 43 HD21 LEU 43 2.311 -18.396 -1.320 354 HD22 LEU 43 HD22 LEU 43 2.966 -17.890 0.238 355 HD23 LEU 43 HD23 LEU 43 1.854 -19.255 0.151 356 H ASN 44 H ASN 44 5.888 -19.677 -4.276 357 HA ASN 44 HA ASN 44 4.042 -21.717 -4.842 358 HB2 ASN 44 HB2 ASN 44 5.966 -20.110 -6.452 359 HB3 ASN 44 HB3 ASN 44 5.296 -21.560 -7.189 360 HD21 ASN 44 HD21 ASN 44 4.592 -18.394 -5.930 361 HD22 ASN 44 HD22 ASN 44 3.016 -18.267 -6.628 362 H GLU 45 H GLU 45 7.508 -21.707 -4.632 363 HA GLU 45 HA GLU 45 7.639 -24.488 -5.434 364 HB2 GLU 45 HB2 GLU 45 9.390 -23.086 -6.283 365 HB3 GLU 45 HB3 GLU 45 9.791 -22.521 -4.668 366 HG2 GLU 45 HG2 GLU 45 10.620 -24.669 -4.044 367 HG3 GLU 45 HG3 GLU 45 10.032 -25.379 -5.544 368 H ASN 46 H ASN 46 7.978 -22.540 -2.436 369 HA ASN 46 HA ASN 46 9.086 -24.721 -0.980 370 HB2 ASN 46 HB2 ASN 46 9.405 -22.176 -0.615 371 HB3 ASN 46 HB3 ASN 46 7.862 -22.263 0.230 372 HD21 ASN 46 HD21 ASN 46 11.210 -22.991 0.318 373 HD22 ASN 46 HD22 ASN 46 11.255 -23.609 1.932 374 H LYS 47 H LYS 47 5.774 -23.356 -1.472 375 HA LYS 47 HA LYS 47 3.792 -23.879 -0.695 376 HB2 LYS 47 HB2 LYS 47 5.043 -26.616 -0.615 377 HB3 LYS 47 HB3 LYS 47 3.318 -26.306 -0.495 378 HG2 LYS 47 HG2 LYS 47 5.038 -25.539 -2.850 379 HG3 LYS 47 HG3 LYS 47 4.048 -26.990 -2.753 380 HD2 LYS 47 HD2 LYS 47 2.038 -25.471 -2.421 381 HD3 LYS 47 HD3 LYS 47 3.084 -24.110 -2.801 382 HE2 LYS 47 HE2 LYS 47 1.840 -24.886 -4.754 383 HE3 LYS 47 HE3 LYS 47 3.581 -25.052 -4.971 384 HZ1 LYS 47 HZ1 LYS 47 2.369 -27.004 -5.745 385 HZ2 LYS 47 HZ2 LYS 47 1.729 -27.239 -4.199 386 HZ3 LYS 47 HZ3 LYS 47 3.390 -27.403 -4.456 387 H SER 48 H SER 48 5.960 -23.323 1.487 388 HA SER 48 HA SER 48 5.189 -24.829 3.730 389 HB2 SER 48 HB2 SER 48 7.311 -23.783 3.751 390 HB3 SER 48 HB3 SER 48 6.617 -22.199 3.394 391 HG SER 48 HG SER 48 7.203 -23.080 5.723 392 H LYS 49 H LYS 49 3.427 -24.688 4.944 393 HA LYS 49 HA LYS 49 1.360 -22.879 4.601 394 HB2 LYS 49 HB2 LYS 49 0.625 -23.755 6.839 395 HB3 LYS 49 HB3 LYS 49 1.005 -25.014 5.665 396 HG2 LYS 49 HG2 LYS 49 3.407 -24.714 6.867 397 HG3 LYS 49 HG3 LYS 49 2.323 -24.331 8.205 398 HD2 LYS 49 HD2 LYS 49 1.180 -26.424 7.924 399 HD3 LYS 49 HD3 LYS 49 2.133 -26.768 6.480 400 HE2 LYS 49 HE2 LYS 49 4.160 -26.833 7.790 401 HE3 LYS 49 HE3 LYS 49 3.255 -26.441 9.253 402 HZ1 LYS 49 HZ1 LYS 49 3.651 -28.798 9.165 403 HZ2 LYS 49 HZ2 LYS 49 2.990 -28.910 7.617 404 HZ3 LYS 49 HZ3 LYS 49 1.998 -28.522 8.936 405 H GLU 50 H GLU 50 4.043 -22.910 6.895 406 HA GLU 50 HA GLU 50 3.410 -20.645 8.399 407 HB2 GLU 50 HB2 GLU 50 6.076 -21.849 7.680 408 HB3 GLU 50 HB3 GLU 50 5.904 -20.514 8.804 409 HG2 GLU 50 HG2 GLU 50 4.638 -23.219 9.134 410 HG3 GLU 50 HG3 GLU 50 6.134 -22.692 9.906 411 H LEU 51 H LEU 51 5.376 -20.951 5.470 412 HA LEU 51 HA LEU 51 6.064 -18.249 5.310 413 HB2 LEU 51 HB2 LEU 51 7.128 -20.155 4.076 414 HB3 LEU 51 HB3 LEU 51 5.732 -20.187 3.020 415 HG LEU 51 HG LEU 51 6.274 -17.916 2.242 416 HD11 LEU 51 HD11 LEU 51 8.722 -18.202 3.983 417 HD12 LEU 51 HD12 LEU 51 7.379 -17.091 4.261 418 HD13 LEU 51 HD13 LEU 51 8.408 -16.893 2.843 419 HD21 LEU 51 HD21 LEU 51 8.311 -18.515 0.992 420 HD22 LEU 51 HD22 LEU 51 7.122 -19.816 1.003 421 HD23 LEU 51 HD23 LEU 51 8.537 -19.908 2.049 422 H GLN 52 H GLN 52 3.291 -20.058 4.032 423 HA GLN 52 HA GLN 52 2.147 -17.984 2.525 424 HB2 GLN 52 HB2 GLN 52 1.304 -20.259 2.341 425 HB3 GLN 52 HB3 GLN 52 0.767 -20.225 4.019 426 HG2 GLN 52 HG2 GLN 52 -0.763 -18.343 3.412 427 HG3 GLN 52 HG3 GLN 52 -0.313 -18.596 1.730 428 HE21 GLN 52 HE21 GLN 52 -2.899 -18.809 3.080 429 HE22 GLN 52 HE22 GLN 52 -3.468 -20.405 2.748 430 H GLU 53 H GLU 53 1.626 -18.885 5.962 431 HA GLU 53 HA GLU 53 -0.316 -17.014 6.561 432 HB2 GLU 53 HB2 GLU 53 1.820 -18.272 8.277 433 HB3 GLU 53 HB3 GLU 53 0.469 -17.343 8.908 434 HG2 GLU 53 HG2 GLU 53 0.192 -19.848 7.266 435 HG3 GLU 53 HG3 GLU 53 0.151 -19.790 9.028 436 H LYS 54 H LYS 54 3.204 -16.794 6.871 437 HA LYS 54 HA LYS 54 3.227 -14.216 8.030 438 HB2 LYS 54 HB2 LYS 54 5.374 -15.565 6.399 439 HB3 LYS 54 HB3 LYS 54 5.603 -14.135 7.396 440 HG2 LYS 54 HG2 LYS 54 4.832 -15.526 9.359 441 HG3 LYS 54 HG3 LYS 54 4.953 -16.925 8.285 442 HD2 LYS 54 HD2 LYS 54 7.219 -15.024 8.858 443 HD3 LYS 54 HD3 LYS 54 6.960 -16.547 9.708 444 HE2 LYS 54 HE2 LYS 54 7.144 -17.757 7.601 445 HE3 LYS 54 HE3 LYS 54 7.389 -16.236 6.743 446 HZ1 LYS 54 HZ1 LYS 54 9.424 -15.892 7.990 447 HZ2 LYS 54 HZ2 LYS 54 9.482 -17.381 7.194 448 HZ3 LYS 54 HZ3 LYS 54 9.176 -17.326 8.850 449 H ILE 55 H ILE 55 3.404 -15.293 4.717 450 HA ILE 55 HA ILE 55 3.860 -12.750 3.553 451 HB ILE 55 HB ILE 55 2.641 -15.241 2.353 452 HG12 ILE 55 HG12 ILE 55 5.354 -13.939 2.014 453 HG13 ILE 55 HG13 ILE 55 5.018 -15.366 2.986 454 HG21 ILE 55 HG21 ILE 55 1.771 -13.315 1.141 455 HG22 ILE 55 HG22 ILE 55 2.946 -14.183 0.152 456 HG23 ILE 55 HG23 ILE 55 3.405 -12.679 0.948 457 HD11 ILE 55 HD11 ILE 55 6.025 -15.933 0.839 458 HD12 ILE 55 HD12 ILE 55 4.674 -15.166 0.003 459 HD13 ILE 55 HD13 ILE 55 4.399 -16.600 0.991 460 H ILE 56 H ILE 56 0.786 -14.570 3.914 461 HA ILE 56 HA ILE 56 -0.784 -12.457 2.861 462 HB ILE 56 HB ILE 56 -1.614 -14.787 2.911 463 HG12 ILE 56 HG12 ILE 56 -3.375 -12.867 4.452 464 HG13 ILE 56 HG13 ILE 56 -3.206 -12.916 2.700 465 HG21 ILE 56 HG21 ILE 56 -0.772 -15.488 5.074 466 HG22 ILE 56 HG22 ILE 56 -2.515 -15.747 4.985 467 HG23 ILE 56 HG23 ILE 56 -1.872 -14.375 5.886 468 HD11 ILE 56 HD11 ILE 56 -4.320 -15.118 4.424 469 HD12 ILE 56 HD12 ILE 56 -4.173 -15.152 2.667 470 HD13 ILE 56 HD13 ILE 56 -5.257 -13.996 3.439 471 H ARG 57 H ARG 57 0.263 -13.223 6.130 472 HA ARG 57 HA ARG 57 -1.433 -11.412 7.498 473 HB2 ARG 57 HB2 ARG 57 0.740 -13.168 8.140 474 HB3 ARG 57 HB3 ARG 57 1.038 -11.603 8.877 475 HG2 ARG 57 HG2 ARG 57 -0.117 -13.059 10.414 476 HG3 ARG 57 HG3 ARG 57 -1.153 -11.706 9.965 477 HD2 ARG 57 HD2 ARG 57 -2.384 -13.103 8.426 478 HD3 ARG 57 HD3 ARG 57 -1.280 -14.449 8.715 479 HE ARG 57 HE ARG 57 -2.141 -14.075 11.159 480 HH11 ARG 57 HH11 ARG 57 -4.022 -14.040 8.194 481 HH12 ARG 57 HH12 ARG 57 -5.477 -14.555 8.971 482 HH21 ARG 57 HH21 ARG 57 -4.063 -14.773 12.171 483 HH22 ARG 57 HH22 ARG 57 -5.501 -14.984 11.231 484 H GLU 58 H GLU 58 1.846 -11.111 6.195 485 HA GLU 58 HA GLU 58 2.182 -8.433 7.060 486 HB2 GLU 58 HB2 GLU 58 4.064 -9.940 6.553 487 HB3 GLU 58 HB3 GLU 58 3.605 -9.917 4.859 488 HG2 GLU 58 HG2 GLU 58 4.109 -7.596 4.693 489 HG3 GLU 58 HG3 GLU 58 4.399 -7.493 6.432 490 H LEU 59 H LEU 59 0.954 -9.938 4.129 491 HA LEU 59 HA LEU 59 0.952 -7.620 2.508 492 HB2 LEU 59 HB2 LEU 59 0.680 -10.084 1.814 493 HB3 LEU 59 HB3 LEU 59 -0.990 -9.927 2.312 494 HG LEU 59 HG LEU 59 0.150 -8.062 0.252 495 HD11 LEU 59 HD11 LEU 59 0.709 -10.306 -0.508 496 HD12 LEU 59 HD12 LEU 59 -0.572 -9.606 -1.495 497 HD13 LEU 59 HD13 LEU 59 -0.962 -10.812 -0.267 498 HD21 LEU 59 HD21 LEU 59 -2.177 -8.023 -0.518 499 HD22 LEU 59 HD22 LEU 59 -2.057 -7.551 1.178 500 HD23 LEU 59 HD23 LEU 59 -2.617 -9.166 0.749 501 H ASP 60 H ASP 60 -1.368 -9.119 4.680 502 HA ASP 60 HA ASP 60 -3.545 -7.414 4.298 503 HB2 ASP 60 HB2 ASP 60 -3.770 -9.493 5.506 504 HB3 ASP 60 HB3 ASP 60 -2.658 -8.936 6.748 505 H VAL 61 H VAL 61 -0.908 -7.202 6.702 506 HA VAL 61 HA VAL 61 -1.788 -4.864 7.970 507 HB VAL 61 HB VAL 61 1.062 -5.815 7.612 508 HG11 VAL 61 HG11 VAL 61 1.004 -3.488 8.291 509 HG12 VAL 61 HG12 VAL 61 1.538 -4.496 9.638 510 HG13 VAL 61 HG13 VAL 61 -0.112 -3.875 9.599 511 HG21 VAL 61 HG21 VAL 61 0.796 -6.817 9.825 512 HG22 VAL 61 HG22 VAL 61 -0.347 -7.494 8.667 513 HG23 VAL 61 HG23 VAL 61 -0.892 -6.308 9.853 514 H VAL 62 H VAL 62 0.477 -5.287 5.273 515 HA VAL 62 HA VAL 62 1.037 -2.543 4.916 516 HB VAL 62 HB VAL 62 1.193 -4.793 2.896 517 HG11 VAL 62 HG11 VAL 62 2.418 -2.036 2.821 518 HG12 VAL 62 HG12 VAL 62 1.101 -2.611 1.802 519 HG13 VAL 62 HG13 VAL 62 2.707 -3.323 1.652 520 HG21 VAL 62 HG21 VAL 62 2.618 -5.188 4.824 521 HG22 VAL 62 HG22 VAL 62 3.294 -3.565 4.682 522 HG23 VAL 62 HG23 VAL 62 3.607 -4.761 3.426 523 H CYS 63 H CYS 63 -1.392 -4.680 3.533 524 HA CYS 63 HA CYS 63 -2.401 -2.830 1.655 525 HB2 CYS 63 HB2 CYS 63 -2.933 -5.251 1.574 526 HB3 CYS 63 HB3 CYS 63 -3.912 -5.069 3.026 527 HG CYS 63 HG CYS 63 -5.041 -2.843 1.000 528 H ALA 64 H ALA 64 -3.273 -3.499 5.077 529 HA ALA 64 HA ALA 64 -5.474 -1.799 5.191 530 HB1 ALA 64 HB1 ALA 64 -5.037 -3.575 6.784 531 HB2 ALA 64 HB2 ALA 64 -5.145 -2.021 7.616 532 HB3 ALA 64 HB3 ALA 64 -3.567 -2.758 7.309 533 H MET 65 H MET 65 -2.051 -1.306 6.140 534 HA MET 65 HA MET 65 -2.450 1.320 7.075 535 HB2 MET 65 HB2 MET 65 -0.089 1.561 7.153 536 HB3 MET 65 HB3 MET 65 -0.421 -0.128 7.508 537 HG2 MET 65 HG2 MET 65 0.191 -0.756 5.264 538 HG3 MET 65 HG3 MET 65 0.427 0.932 4.830 539 HE1 MET 65 HE1 MET 65 1.785 -2.164 6.681 540 HE2 MET 65 HE2 MET 65 1.452 -1.108 8.051 541 HE3 MET 65 HE3 MET 65 3.119 -1.522 7.640 542 H ILE 66 H ILE 66 -1.722 0.047 3.883 543 HA ILE 66 HA ILE 66 -1.316 2.551 2.636 544 HB ILE 66 HB ILE 66 -1.663 -0.241 1.725 545 HG12 ILE 66 HG12 ILE 66 0.197 0.360 0.231 546 HG13 ILE 66 HG13 ILE 66 0.032 2.046 0.694 547 HG21 ILE 66 HG21 ILE 66 -2.371 2.010 -0.150 548 HG22 ILE 66 HG22 ILE 66 -3.465 0.760 0.441 549 HG23 ILE 66 HG23 ILE 66 -2.116 0.324 -0.609 550 HD11 ILE 66 HD11 ILE 66 0.781 -0.194 2.562 551 HD12 ILE 66 HD12 ILE 66 0.719 1.526 2.947 552 HD13 ILE 66 HD13 ILE 66 1.911 0.926 1.798 553 H GLU 67 H GLU 67 -4.245 0.538 3.118 554 HA GLU 67 HA GLU 67 -5.991 2.060 1.547 555 HB2 GLU 67 HB2 GLU 67 -6.378 0.213 3.890 556 HB3 GLU 67 HB3 GLU 67 -7.732 1.022 3.119 557 HG2 GLU 67 HG2 GLU 67 -5.810 -0.697 1.588 558 HG3 GLU 67 HG3 GLU 67 -7.227 -1.354 2.402 559 H GLY 68 H GLY 68 -5.094 2.235 4.990 560 HA2 GLY 68 HA2 GLY 68 -7.006 4.170 5.701 561 HA3 GLY 68 HA3 GLY 68 -5.544 3.774 6.587 562 H ALA 69 H ALA 69 -3.580 4.478 4.800 563 HA ALA 69 HA ALA 69 -3.488 7.275 5.223 564 HB1 ALA 69 HB1 ALA 69 -1.482 5.874 5.259 565 HB2 ALA 69 HB2 ALA 69 -1.334 7.173 4.076 566 HB3 ALA 69 HB3 ALA 69 -1.689 5.531 3.542 567 H GLN 70 H GLN 70 -4.086 5.265 2.392 568 HA GLN 70 HA GLN 70 -3.971 7.429 0.526 569 HB2 GLN 70 HB2 GLN 70 -4.866 5.995 -1.139 570 HB3 GLN 70 HB3 GLN 70 -3.766 5.034 -0.167 571 HG2 GLN 70 HG2 GLN 70 -5.564 3.942 0.921 572 HG3 GLN 70 HG3 GLN 70 -6.742 5.051 0.219 573 HE21 GLN 70 HE21 GLN 70 -7.158 4.935 -1.981 574 HE22 GLN 70 HE22 GLN 70 -6.877 3.485 -2.880 575 H GLY 71 H GLY 71 -6.570 6.008 2.411 576 HA2 GLY 71 HA2 GLY 71 -8.656 7.490 1.162 577 HA3 GLY 71 HA3 GLY 71 -8.755 6.666 2.712 578 H ALA 72 H ALA 72 -6.729 7.989 4.069 579 HA ALA 72 HA ALA 72 -8.187 10.244 5.009 580 HB1 ALA 72 HB1 ALA 72 -6.808 8.843 6.487 581 HB2 ALA 72 HB2 ALA 72 -6.341 10.541 6.567 582 HB3 ALA 72 HB3 ALA 72 -5.360 9.399 5.647 583 H LEU 73 H LEU 73 -4.984 9.935 3.471 584 HA LEU 73 HA LEU 73 -4.402 12.601 3.169 585 HB2 LEU 73 HB2 LEU 73 -2.835 10.738 2.789 586 HB3 LEU 73 HB3 LEU 73 -3.682 10.342 1.308 587 HG LEU 73 HG LEU 73 -3.043 12.558 0.398 588 HD11 LEU 73 HD11 LEU 73 -1.270 13.826 1.513 589 HD12 LEU 73 HD12 LEU 73 -1.368 12.738 2.898 590 HD13 LEU 73 HD13 LEU 73 -2.739 13.766 2.485 591 HD21 LEU 73 HD21 LEU 73 -0.692 11.981 0.001 592 HD22 LEU 73 HD22 LEU 73 -1.749 10.578 -0.149 593 HD23 LEU 73 HD23 LEU 73 -0.772 10.794 1.303 594 H GLU 74 H GLU 74 -6.168 10.482 0.919 595 HA GLU 74 HA GLU 74 -6.472 12.263 -1.185 596 HB2 GLU 74 HB2 GLU 74 -7.879 9.853 -0.235 597 HB3 GLU 74 HB3 GLU 74 -8.800 10.894 -1.309 598 HG2 GLU 74 HG2 GLU 74 -6.055 9.850 -1.948 599 HG3 GLU 74 HG3 GLU 74 -7.551 9.050 -2.428 600 H ARG 75 H ARG 75 -8.708 11.728 1.528 601 HA ARG 75 HA ARG 75 -10.630 13.593 0.732 602 HB2 ARG 75 HB2 ARG 75 -9.901 12.659 3.505 603 HB3 ARG 75 HB3 ARG 75 -11.344 13.583 3.114 604 HG2 ARG 75 HG2 ARG 75 -12.108 11.786 1.651 605 HG3 ARG 75 HG3 ARG 75 -10.657 10.860 2.032 606 HD2 ARG 75 HD2 ARG 75 -11.305 10.752 4.359 607 HD3 ARG 75 HD3 ARG 75 -12.713 11.759 4.042 608 HE ARG 75 HE ARG 75 -12.336 9.059 2.917 609 HH11 ARG 75 HH11 ARG 75 -14.417 11.586 4.186 610 HH12 ARG 75 HH12 ARG 75 -15.845 10.611 4.128 611 HH21 ARG 75 HH21 ARG 75 -14.229 7.768 2.846 612 HH22 ARG 75 HH22 ARG 75 -15.739 8.436 3.361 613 H GLU 76 H GLU 76 -7.798 14.061 2.778 614 HA GLU 76 HA GLU 76 -8.420 16.802 3.284 615 HB2 GLU 76 HB2 GLU 76 -6.153 16.996 4.249 616 HB3 GLU 76 HB3 GLU 76 -7.054 15.639 4.900 617 HG2 GLU 76 HG2 GLU 76 -5.813 14.115 3.489 618 HG3 GLU 76 HG3 GLU 76 -4.942 15.467 2.769 619 H LEU 77 H LEU 77 -5.886 15.331 1.150 620 HA LEU 77 HA LEU 77 -5.053 17.749 0.101 621 HB2 LEU 77 HB2 LEU 77 -4.101 16.499 -1.804 622 HB3 LEU 77 HB3 LEU 77 -3.692 15.819 -0.251 623 HG LEU 77 HG LEU 77 -5.442 14.044 -0.670 624 HD11 LEU 77 HD11 LEU 77 -6.760 15.200 -2.359 625 HD12 LEU 77 HD12 LEU 77 -6.142 13.667 -2.977 626 HD13 LEU 77 HD13 LEU 77 -5.382 15.186 -3.459 627 HD21 LEU 77 HD21 LEU 77 -2.986 13.780 -1.040 628 HD22 LEU 77 HD22 LEU 77 -3.259 14.165 -2.738 629 HD23 LEU 77 HD23 LEU 77 -3.996 12.727 -2.028 630 H LYS 78 H LYS 78 -8.021 16.198 -0.463 631 HA LYS 78 HA LYS 78 -8.451 17.113 -3.113 632 HB2 LYS 78 HB2 LYS 78 -10.147 15.974 -0.955 633 HB3 LYS 78 HB3 LYS 78 -10.924 16.677 -2.382 634 HG2 LYS 78 HG2 LYS 78 -9.047 14.326 -2.227 635 HG3 LYS 78 HG3 LYS 78 -10.740 14.319 -2.716 636 HD2 LYS 78 HD2 LYS 78 -10.177 15.567 -4.733 637 HD3 LYS 78 HD3 LYS 78 -8.490 15.668 -4.226 638 HE2 LYS 78 HE2 LYS 78 -8.396 13.199 -4.227 639 HE3 LYS 78 HE3 LYS 78 -10.030 13.173 -4.892 640 HZ1 LYS 78 HZ1 LYS 78 -8.492 12.933 -6.660 641 HZ2 LYS 78 HZ2 LYS 78 -7.579 14.251 -6.156 642 HZ3 LYS 78 HZ3 LYS 78 -9.131 14.494 -6.792 643 H ARG 79 H ARG 79 -8.402 18.634 -0.103 644 HA ARG 79 HA ARG 79 -10.353 20.642 -0.522 645 HB2 ARG 79 HB2 ARG 79 -9.448 20.087 1.712 646 HB3 ARG 79 HB3 ARG 79 -7.874 20.689 1.229 647 HG2 ARG 79 HG2 ARG 79 -10.219 22.525 1.088 648 HG3 ARG 79 HG3 ARG 79 -9.514 22.155 2.661 649 HD2 ARG 79 HD2 ARG 79 -7.415 23.055 2.032 650 HD3 ARG 79 HD3 ARG 79 -7.866 23.104 0.328 651 HE ARG 79 HE ARG 79 -9.652 24.706 1.758 652 HH11 ARG 79 HH11 ARG 79 -6.245 24.667 0.923 653 HH12 ARG 79 HH12 ARG 79 -6.103 26.390 0.857 654 HH21 ARG 79 HH21 ARG 79 -9.469 27.003 1.664 655 HH22 ARG 79 HH22 ARG 79 -7.942 27.720 1.285 656 H THR 80 H THR 80 -7.112 20.202 -1.619 657 HA THR 80 HA THR 80 -6.471 22.862 -2.288 658 HB THR 80 HB THR 80 -5.539 20.374 -3.732 659 HG1 THR 80 HG1 THR 80 -4.581 19.829 -1.948 660 HG21 THR 80 HG21 THR 80 -4.212 23.042 -3.216 661 HG22 THR 80 HG22 THR 80 -4.879 22.502 -4.758 662 HG23 THR 80 HG23 THR 80 -3.483 21.676 -4.062 663 H ASP 81 H ASP 81 -7.095 24.116 -3.971 664 HA ASP 81 HA ASP 81 -9.301 23.478 -5.557 665 HB2 ASP 81 HB2 ASP 81 -8.127 25.774 -4.969 666 HB3 ASP 81 HB3 ASP 81 -7.316 25.501 -6.506 667 H LEU 82 H LEU 82 -9.498 22.972 -7.762 668 HA LEU 82 HA LEU 82 -7.497 21.168 -8.663 669 HB2 LEU 82 HB2 LEU 82 -9.111 21.012 -10.711 670 HB3 LEU 82 HB3 LEU 82 -9.524 20.290 -9.173 671 HG LEU 82 HG LEU 82 -10.939 22.310 -8.683 672 HD11 LEU 82 HD11 LEU 82 -11.595 23.762 -10.519 673 HD12 LEU 82 HD12 LEU 82 -10.448 22.952 -11.584 674 HD13 LEU 82 HD13 LEU 82 -9.862 23.889 -10.211 675 HD21 LEU 82 HD21 LEU 82 -12.768 21.619 -10.158 676 HD22 LEU 82 HD22 LEU 82 -11.912 20.234 -9.481 677 HD23 LEU 82 HD23 LEU 82 -11.620 20.722 -11.151 678 H ASN 83 H ASN 83 -5.945 22.979 -8.694 679 HA ASN 83 HA ASN 83 -5.755 24.781 -10.896 680 HB2 ASN 83 HB2 ASN 83 -4.541 24.744 -8.684 681 HB3 ASN 83 HB3 ASN 83 -3.444 23.618 -9.491 682 HD21 ASN 83 HD21 ASN 83 -1.803 24.807 -9.777 683 HD22 ASN 83 HD22 ASN 83 -1.763 26.260 -10.723 684 H ILE 84 H ILE 84 -4.035 24.617 -12.557 685 HA ILE 84 HA ILE 84 -4.570 22.420 -14.199 686 HB ILE 84 HB ILE 84 -2.364 24.483 -14.369 687 HG12 ILE 84 HG12 ILE 84 -3.751 25.215 -16.380 688 HG13 ILE 84 HG13 ILE 84 -4.998 24.117 -15.812 689 HG21 ILE 84 HG21 ILE 84 -3.062 22.381 -16.413 690 HG22 ILE 84 HG22 ILE 84 -1.579 22.459 -15.464 691 HG23 ILE 84 HG23 ILE 84 -1.929 23.713 -16.652 692 HD11 ILE 84 HD11 ILE 84 -5.200 25.400 -13.754 693 HD12 ILE 84 HD12 ILE 84 -5.434 26.431 -15.164 694 HD13 ILE 84 HD13 ILE 84 -3.906 26.473 -14.285 695 H LEU 85 H LEU 85 -1.555 23.141 -12.347 696 HA LEU 85 HA LEU 85 -0.349 20.689 -13.128 697 HB2 LEU 85 HB2 LEU 85 0.957 22.686 -12.586 698 HB3 LEU 85 HB3 LEU 85 0.348 22.645 -10.942 699 HG LEU 85 HG LEU 85 1.477 20.440 -10.640 700 HD11 LEU 85 HD11 LEU 85 1.599 19.762 -12.969 701 HD12 LEU 85 HD12 LEU 85 3.207 19.789 -12.242 702 HD13 LEU 85 HD13 LEU 85 2.702 21.095 -13.314 703 HD21 LEU 85 HD21 LEU 85 3.234 22.761 -11.422 704 HD22 LEU 85 HD22 LEU 85 3.732 21.381 -10.444 705 HD23 LEU 85 HD23 LEU 85 2.503 22.492 -9.839 706 H GLU 86 H GLU 86 -1.830 21.898 -10.117 707 HA GLU 86 HA GLU 86 -1.406 19.626 -8.592 708 HB2 GLU 86 HB2 GLU 86 -3.640 21.644 -8.433 709 HB3 GLU 86 HB3 GLU 86 -3.415 20.361 -7.252 710 HG2 GLU 86 HG2 GLU 86 -2.320 22.047 -6.195 711 HG3 GLU 86 HG3 GLU 86 -0.983 21.374 -7.125 712 H ARG 87 H ARG 87 -4.163 20.348 -10.762 713 HA ARG 87 HA ARG 87 -5.657 18.071 -10.117 714 HB2 ARG 87 HB2 ARG 87 -6.553 19.983 -11.390 715 HB3 ARG 87 HB3 ARG 87 -5.510 19.571 -12.741 716 HG2 ARG 87 HG2 ARG 87 -6.684 17.418 -12.949 717 HG3 ARG 87 HG3 ARG 87 -7.764 17.912 -11.647 718 HD2 ARG 87 HD2 ARG 87 -8.539 19.795 -12.962 719 HD3 ARG 87 HD3 ARG 87 -7.400 19.392 -14.249 720 HE ARG 87 HE ARG 87 -8.930 17.139 -13.858 721 HH11 ARG 87 HH11 ARG 87 -9.535 20.473 -14.799 722 HH12 ARG 87 HH12 ARG 87 -10.910 20.074 -15.769 723 HH21 ARG 87 HH21 ARG 87 -10.752 16.626 -15.131 724 HH22 ARG 87 HH22 ARG 87 -11.609 17.881 -15.952 725 H PHE 88 H PHE 88 -3.150 18.654 -12.513 726 HA PHE 88 HA PHE 88 -3.210 16.161 -13.798 727 HB2 PHE 88 HB2 PHE 88 -2.085 18.120 -14.733 728 HB3 PHE 88 HB3 PHE 88 -0.930 18.114 -13.408 729 HD1 PHE 88 HD1 PHE 88 -2.146 16.043 -16.244 730 HD2 PHE 88 HD2 PHE 88 1.076 16.988 -13.633 731 HE1 PHE 88 HE1 PHE 88 -0.652 14.620 -17.578 732 HE2 PHE 88 HE2 PHE 88 2.574 15.562 -14.961 733 HZ PHE 88 HZ PHE 88 1.712 14.377 -16.939 734 H ASN 89 H ASN 89 -1.177 17.342 -11.142 735 HA ASN 89 HA ASN 89 0.305 14.978 -10.728 736 HB2 ASN 89 HB2 ASN 89 -0.401 17.212 -8.814 737 HB3 ASN 89 HB3 ASN 89 0.689 15.897 -8.396 738 HD21 ASN 89 HD21 ASN 89 1.191 18.763 -8.559 739 HD22 ASN 89 HD22 ASN 89 2.472 18.957 -9.701 740 H TYR 90 H TYR 90 -2.557 16.180 -9.035 741 HA TYR 90 HA TYR 90 -2.941 14.095 -7.247 742 HB2 TYR 90 HB2 TYR 90 -4.806 16.046 -8.544 743 HB3 TYR 90 HB3 TYR 90 -5.432 14.805 -7.470 744 HD1 TYR 90 HD1 TYR 90 -2.166 16.501 -6.999 745 HD2 TYR 90 HD2 TYR 90 -6.235 16.257 -5.778 746 HE1 TYR 90 HE1 TYR 90 -1.670 17.934 -5.076 747 HE2 TYR 90 HE2 TYR 90 -5.747 17.681 -3.853 748 HH TYR 90 HH TYR 90 -2.891 19.463 -3.559 749 H GLU 91 H GLU 91 -4.434 14.499 -10.433 750 HA GLU 91 HA GLU 91 -5.893 12.129 -10.511 751 HB2 GLU 91 HB2 GLU 91 -6.190 13.926 -12.128 752 HB3 GLU 91 HB3 GLU 91 -4.588 13.621 -12.785 753 HG2 GLU 91 HG2 GLU 91 -5.317 11.371 -13.459 754 HG3 GLU 91 HG3 GLU 91 -6.934 11.738 -12.861 755 H GLU 92 H GLU 92 -2.570 12.767 -11.590 756 HA GLU 92 HA GLU 92 -2.168 10.177 -12.632 757 HB2 GLU 92 HB2 GLU 92 -0.875 12.201 -13.288 758 HB3 GLU 92 HB3 GLU 92 -0.074 12.151 -11.726 759 HG2 GLU 92 HG2 GLU 92 1.035 10.147 -12.242 760 HG3 GLU 92 HG3 GLU 92 -0.002 9.844 -13.637 761 H ALA 93 H ALA 93 -1.590 11.598 -9.421 762 HA ALA 93 HA ALA 93 -0.049 9.471 -8.398 763 HB1 ALA 93 HB1 ALA 93 -1.838 11.446 -6.963 764 HB2 ALA 93 HB2 ALA 93 -0.132 11.687 -7.336 765 HB3 ALA 93 HB3 ALA 93 -0.618 10.423 -6.206 766 H GLN 94 H GLN 94 -3.484 10.278 -8.252 767 HA GLN 94 HA GLN 94 -4.419 8.035 -6.827 768 HB2 GLN 94 HB2 GLN 94 -5.677 10.138 -7.243 769 HB3 GLN 94 HB3 GLN 94 -5.824 9.695 -8.934 770 HG2 GLN 94 HG2 GLN 94 -7.845 9.295 -7.528 771 HG3 GLN 94 HG3 GLN 94 -7.267 7.902 -8.433 772 HE21 GLN 94 HE21 GLN 94 -7.577 9.339 -5.264 773 HE22 GLN 94 HE22 GLN 94 -7.269 7.883 -4.386 774 H THR 95 H THR 95 -3.882 8.559 -10.272 775 HA THR 95 HA THR 95 -4.943 6.138 -11.190 776 HB THR 95 HB THR 95 -2.693 7.782 -12.366 777 HG1 THR 95 HG1 THR 95 -4.607 8.960 -12.307 778 HG21 THR 95 HG21 THR 95 -2.701 5.475 -13.231 779 HG22 THR 95 HG22 THR 95 -3.196 6.629 -14.470 780 HG23 THR 95 HG23 THR 95 -4.406 5.641 -13.648 781 H LEU 96 H LEU 96 -1.559 6.937 -10.188 782 HA LEU 96 HA LEU 96 -0.602 4.337 -10.804 783 HB2 LEU 96 HB2 LEU 96 0.576 6.474 -9.028 784 HB3 LEU 96 HB3 LEU 96 1.416 5.041 -9.586 785 HG LEU 96 HG LEU 96 0.415 7.282 -11.349 786 HD11 LEU 96 HD11 LEU 96 2.288 7.976 -9.974 787 HD12 LEU 96 HD12 LEU 96 2.785 7.795 -11.656 788 HD13 LEU 96 HD13 LEU 96 3.204 6.554 -10.474 789 HD21 LEU 96 HD21 LEU 96 1.709 6.157 -13.111 790 HD22 LEU 96 HD22 LEU 96 0.386 5.154 -12.520 791 HD23 LEU 96 HD23 LEU 96 2.042 4.824 -12.004 792 H SER 97 H SER 97 -1.858 5.932 -7.948 793 HA SER 97 HA SER 97 -1.133 4.072 -6.013 794 HB2 SER 97 HB2 SER 97 -2.143 6.310 -5.551 795 HB3 SER 97 HB3 SER 97 -3.697 5.683 -6.097 796 HG SER 97 HG SER 97 -2.872 3.959 -4.332 797 H LYS 98 H LYS 98 -4.031 4.219 -8.066 798 HA LYS 98 HA LYS 98 -5.248 1.913 -7.012 799 HB2 LYS 98 HB2 LYS 98 -5.555 3.284 -9.673 800 HB3 LYS 98 HB3 LYS 98 -6.541 1.918 -9.168 801 HG2 LYS 98 HG2 LYS 98 -7.116 3.352 -7.126 802 HG3 LYS 98 HG3 LYS 98 -6.465 4.697 -8.071 803 HD2 LYS 98 HD2 LYS 98 -8.048 4.233 -9.855 804 HD3 LYS 98 HD3 LYS 98 -8.665 2.837 -8.968 805 HE2 LYS 98 HE2 LYS 98 -10.203 4.554 -8.519 806 HE3 LYS 98 HE3 LYS 98 -9.163 4.474 -7.094 807 HZ1 LYS 98 HZ1 LYS 98 -8.834 6.410 -9.302 808 HZ2 LYS 98 HZ2 LYS 98 -7.941 6.337 -7.866 809 HZ3 LYS 98 HZ3 LYS 98 -9.584 6.735 -7.820 810 H ILE 99 H ILE 99 -2.842 2.384 -9.557 811 HA ILE 99 HA ILE 99 -3.040 -0.187 -10.677 812 HB ILE 99 HB ILE 99 -0.672 1.691 -10.544 813 HG12 ILE 99 HG12 ILE 99 -2.658 1.156 -12.767 814 HG13 ILE 99 HG13 ILE 99 -2.678 2.564 -11.714 815 HG21 ILE 99 HG21 ILE 99 0.050 -0.617 -10.932 816 HG22 ILE 99 HG22 ILE 99 0.277 0.372 -12.377 817 HG23 ILE 99 HG23 ILE 99 -1.080 -0.748 -12.279 818 HD11 ILE 99 HD11 ILE 99 -1.714 3.128 -13.840 819 HD12 ILE 99 HD12 ILE 99 -0.526 1.833 -13.683 820 HD13 ILE 99 HD13 ILE 99 -0.476 3.213 -12.588 821 H LEU 100 H LEU 100 -1.023 1.165 -8.111 822 HA LEU 100 HA LEU 100 0.504 -1.115 -7.559 823 HB2 LEU 100 HB2 LEU 100 0.892 1.269 -6.768 824 HB3 LEU 100 HB3 LEU 100 -0.333 0.987 -5.554 825 HG LEU 100 HG LEU 100 2.072 0.818 -4.780 826 HD11 LEU 100 HD11 LEU 100 0.266 -0.105 -3.443 827 HD12 LEU 100 HD12 LEU 100 1.698 -1.131 -3.353 828 HD13 LEU 100 HD13 LEU 100 0.334 -1.608 -4.364 829 HD21 LEU 100 HD21 LEU 100 3.283 -1.239 -5.236 830 HD22 LEU 100 HD22 LEU 100 2.958 -0.363 -6.732 831 HD23 LEU 100 HD23 LEU 100 1.995 -1.781 -6.311 832 H LEU 101 H LEU 101 -2.547 0.027 -6.162 833 HA LEU 101 HA LEU 101 -2.852 -2.002 -4.257 834 HB2 LEU 101 HB2 LEU 101 -4.666 -0.043 -5.545 835 HB3 LEU 101 HB3 LEU 101 -5.413 -1.408 -4.743 836 HG LEU 101 HG LEU 101 -5.309 0.552 -3.288 837 HD11 LEU 101 HD11 LEU 101 -5.237 -1.682 -2.309 838 HD12 LEU 101 HD12 LEU 101 -4.344 -0.511 -1.340 839 HD13 LEU 101 HD13 LEU 101 -3.474 -1.651 -2.366 840 HD21 LEU 101 HD21 LEU 101 -3.309 1.610 -4.179 841 HD22 LEU 101 HD22 LEU 101 -2.318 0.292 -3.555 842 HD23 LEU 101 HD23 LEU 101 -3.162 1.365 -2.438 843 H LYS 102 H LYS 102 -3.949 -1.856 -7.652 844 HA LYS 102 HA LYS 102 -5.376 -4.262 -7.591 845 HB2 LYS 102 HB2 LYS 102 -3.906 -3.002 -9.916 846 HB3 LYS 102 HB3 LYS 102 -5.083 -4.302 -10.051 847 HG2 LYS 102 HG2 LYS 102 -6.758 -2.750 -9.000 848 HG3 LYS 102 HG3 LYS 102 -5.563 -1.467 -9.165 849 HD2 LYS 102 HD2 LYS 102 -6.753 -3.087 -11.427 850 HD3 LYS 102 HD3 LYS 102 -7.199 -1.441 -11.000 851 HE2 LYS 102 HE2 LYS 102 -5.744 -1.085 -12.750 852 HE3 LYS 102 HE3 LYS 102 -4.664 -0.956 -11.367 853 HZ1 LYS 102 HZ1 LYS 102 -5.024 -3.398 -13.026 854 HZ2 LYS 102 HZ2 LYS 102 -3.931 -3.220 -11.749 855 HZ3 LYS 102 HZ3 LYS 102 -3.737 -2.316 -13.158 856 H ASP 103 H ASP 103 -1.908 -3.643 -8.402 857 HA ASP 103 HA ASP 103 -1.299 -6.318 -8.915 858 HB2 ASP 103 HB2 ASP 103 0.258 -3.871 -8.294 859 HB3 ASP 103 HB3 ASP 103 1.072 -5.413 -8.042 860 H LEU 104 H LEU 104 -1.427 -4.535 -5.768 861 HA LEU 104 HA LEU 104 -0.150 -6.534 -4.301 862 HB2 LEU 104 HB2 LEU 104 -0.553 -4.183 -3.585 863 HB3 LEU 104 HB3 LEU 104 -2.257 -4.556 -3.429 864 HG LEU 104 HG LEU 104 -1.711 -6.203 -1.663 865 HD11 LEU 104 HD11 LEU 104 0.537 -6.155 -0.662 866 HD12 LEU 104 HD12 LEU 104 1.087 -5.128 -1.984 867 HD13 LEU 104 HD13 LEU 104 0.549 -6.775 -2.312 868 HD21 LEU 104 HD21 LEU 104 -2.356 -3.928 -1.074 869 HD22 LEU 104 HD22 LEU 104 -0.671 -3.415 -1.178 870 HD23 LEU 104 HD23 LEU 104 -1.168 -4.560 0.066 871 H LYS 105 H LYS 105 -3.588 -5.875 -4.941 872 HA LYS 105 HA LYS 105 -4.612 -8.083 -3.550 873 HB2 LYS 105 HB2 LYS 105 -5.769 -6.744 -6.002 874 HB3 LYS 105 HB3 LYS 105 -6.645 -7.794 -4.901 875 HG2 LYS 105 HG2 LYS 105 -5.416 -5.139 -4.176 876 HG3 LYS 105 HG3 LYS 105 -7.120 -5.418 -4.514 877 HD2 LYS 105 HD2 LYS 105 -5.748 -6.995 -2.358 878 HD3 LYS 105 HD3 LYS 105 -6.264 -5.342 -2.041 879 HE2 LYS 105 HE2 LYS 105 -8.030 -6.732 -1.304 880 HE3 LYS 105 HE3 LYS 105 -8.565 -6.038 -2.830 881 HZ1 LYS 105 HZ1 LYS 105 -7.990 -8.124 -3.927 882 HZ2 LYS 105 HZ2 LYS 105 -9.095 -8.372 -2.683 883 HZ3 LYS 105 HZ3 LYS 105 -7.478 -8.784 -2.446 884 H GLU 106 H GLU 106 -3.119 -7.875 -6.686 885 HA GLU 106 HA GLU 106 -3.912 -10.406 -7.674 886 HB2 GLU 106 HB2 GLU 106 -2.903 -8.686 -9.114 887 HB3 GLU 106 HB3 GLU 106 -1.394 -8.816 -8.227 888 HG2 GLU 106 HG2 GLU 106 -1.135 -9.998 -10.269 889 HG3 GLU 106 HG3 GLU 106 -1.240 -11.191 -8.978 890 H THR 107 H THR 107 -1.188 -9.333 -5.682 891 HA THR 107 HA THR 107 0.038 -11.914 -5.605 892 HB THR 107 HB THR 107 1.264 -10.973 -3.526 893 HG1 THR 107 HG1 THR 107 -0.519 -9.064 -3.754 894 HG21 THR 107 HG21 THR 107 2.753 -9.621 -4.912 895 HG22 THR 107 HG22 THR 107 1.534 -9.589 -6.188 896 HG23 THR 107 HG23 THR 107 2.290 -11.117 -5.724 897 H GLU 108 H GLU 108 -2.137 -10.172 -3.374 898 HA GLU 108 HA GLU 108 -2.445 -11.967 -1.359 899 HB2 GLU 108 HB2 GLU 108 -3.539 -9.758 -1.548 900 HB3 GLU 108 HB3 GLU 108 -4.612 -10.413 -2.775 901 HG2 GLU 108 HG2 GLU 108 -5.475 -12.006 -1.083 902 HG3 GLU 108 HG3 GLU 108 -4.498 -11.169 0.127 903 H GLN 109 H GLN 109 -4.129 -11.957 -4.470 904 HA GLN 109 HA GLN 109 -5.664 -14.247 -4.064 905 HB2 GLN 109 HB2 GLN 109 -6.084 -12.617 -5.842 906 HB3 GLN 109 HB3 GLN 109 -4.602 -13.110 -6.648 907 HG2 GLN 109 HG2 GLN 109 -5.504 -15.280 -7.099 908 HG3 GLN 109 HG3 GLN 109 -6.935 -14.931 -6.131 909 HE21 GLN 109 HE21 GLN 109 -5.273 -14.312 -9.101 910 HE22 GLN 109 HE22 GLN 109 -6.607 -13.577 -9.924 911 H LYS 110 H LYS 110 -2.408 -13.835 -5.334 912 HA LYS 110 HA LYS 110 -2.028 -16.482 -6.218 913 HB2 LYS 110 HB2 LYS 110 0.014 -14.458 -5.304 914 HB3 LYS 110 HB3 LYS 110 0.375 -15.945 -6.164 915 HG2 LYS 110 HG2 LYS 110 -1.325 -13.713 -7.244 916 HG3 LYS 110 HG3 LYS 110 0.385 -13.951 -7.605 917 HD2 LYS 110 HD2 LYS 110 -0.114 -16.119 -8.593 918 HD3 LYS 110 HD3 LYS 110 -1.822 -15.920 -8.193 919 HE2 LYS 110 HE2 LYS 110 -1.998 -14.030 -9.665 920 HE3 LYS 110 HE3 LYS 110 -0.262 -14.059 -9.969 921 HZ1 LYS 110 HZ1 LYS 110 -1.480 -15.060 -11.777 922 HZ2 LYS 110 HZ2 LYS 110 -2.189 -16.184 -10.728 923 HZ3 LYS 110 HZ3 LYS 110 -0.521 -16.218 -11.010 924 H VAL 111 H VAL 111 -1.112 -14.910 -3.153 925 HA VAL 111 HA VAL 111 0.119 -17.189 -2.062 926 HB VAL 111 HB VAL 111 0.564 -14.969 -1.129 927 HG11 VAL 111 HG11 VAL 111 -1.032 -13.836 0.332 928 HG12 VAL 111 HG12 VAL 111 -2.252 -15.045 -0.073 929 HG13 VAL 111 HG13 VAL 111 -1.629 -13.968 -1.322 930 HG21 VAL 111 HG21 VAL 111 0.949 -16.935 0.277 931 HG22 VAL 111 HG22 VAL 111 -0.679 -16.774 0.935 932 HG23 VAL 111 HG23 VAL 111 0.520 -15.517 1.232 933 H LYS 112 H LYS 112 -3.223 -16.033 -1.806 934 HA LYS 112 HA LYS 112 -4.045 -18.183 -0.133 935 HB2 LYS 112 HB2 LYS 112 -6.252 -17.371 -0.391 936 HB3 LYS 112 HB3 LYS 112 -5.214 -15.954 -0.410 937 HG2 LYS 112 HG2 LYS 112 -5.361 -15.959 -2.893 938 HG3 LYS 112 HG3 LYS 112 -6.535 -17.268 -2.774 939 HD2 LYS 112 HD2 LYS 112 -7.862 -15.706 -1.237 940 HD3 LYS 112 HD3 LYS 112 -6.785 -14.429 -1.814 941 HE2 LYS 112 HE2 LYS 112 -8.857 -14.472 -3.103 942 HE3 LYS 112 HE3 LYS 112 -7.478 -14.875 -4.118 943 HZ1 LYS 112 HZ1 LYS 112 -8.066 -17.217 -3.911 944 HZ2 LYS 112 HZ2 LYS 112 -9.347 -16.325 -4.553 945 HZ3 LYS 112 HZ3 LYS 112 -9.389 -16.815 -2.938 946 H ASP 113 H ASP 113 -3.348 -17.974 -3.432 947 HA ASP 113 HA ASP 113 -5.082 -20.095 -4.302 948 HB2 ASP 113 HB2 ASP 113 -4.367 -18.298 -5.845 949 HB3 ASP 113 HB3 ASP 113 -2.710 -18.874 -5.731 950 H ILE 114 H ILE 114 -1.725 -19.916 -3.090 951 HA ILE 114 HA ILE 114 -1.041 -22.569 -3.969 952 HB ILE 114 HB ILE 114 0.261 -20.456 -2.293 953 HG12 ILE 114 HG12 ILE 114 2.182 -20.953 -3.758 954 HG13 ILE 114 HG13 ILE 114 1.271 -22.257 -4.506 955 HG21 ILE 114 HG21 ILE 114 0.498 -22.373 -0.842 956 HG22 ILE 114 HG22 ILE 114 2.050 -22.004 -1.594 957 HG23 ILE 114 HG23 ILE 114 1.083 -23.354 -2.185 958 HD11 ILE 114 HD11 ILE 114 0.590 -19.333 -4.600 959 HD12 ILE 114 HD12 ILE 114 -0.336 -20.637 -5.350 960 HD13 ILE 114 HD13 ILE 114 1.305 -20.292 -5.897 961 H GLN 115 H GLN 115 -1.955 -24.330 -3.158 962 HA GLN 115 HA GLN 115 -3.210 -24.407 -0.613 963 HB2 GLN 115 HB2 GLN 115 -3.491 -26.816 -1.089 964 HB3 GLN 115 HB3 GLN 115 -4.032 -25.800 -2.418 965 HG2 GLN 115 HG2 GLN 115 -1.987 -26.257 -3.627 966 HG3 GLN 115 HG3 GLN 115 -1.387 -27.213 -2.277 967 HE21 GLN 115 HE21 GLN 115 -3.591 -27.090 -4.944 968 HE22 GLN 115 HE22 GLN 115 -4.021 -28.762 -4.936 969 H THR 116 H THR 116 -2.302 -24.716 1.240 970 HA THR 116 HA THR 116 0.336 -26.016 1.359 971 HB THR 116 HB THR 116 0.620 -24.774 3.542 972 HG1 THR 116 HG1 THR 116 -1.054 -22.771 2.899 973 HG21 THR 116 HG21 THR 116 0.265 -23.191 0.999 974 HG22 THR 116 HG22 THR 116 1.718 -24.060 1.491 975 HG23 THR 116 HG23 THR 116 1.181 -22.651 2.407 976 H GLN 117 H GLN 117 0.594 -26.612 3.981 977 HA GLN 117 HA GLN 117 -1.246 -28.825 4.191 978 HB2 GLN 117 HB2 GLN 117 1.051 -28.167 6.021 979 HB3 GLN 117 HB3 GLN 117 0.197 -29.691 5.906 980 HG2 GLN 117 HG2 GLN 117 1.074 -30.066 3.689 981 HG3 GLN 117 HG3 GLN 117 1.862 -28.489 3.708 982 HE21 GLN 117 HE21 GLN 117 3.014 -31.136 3.394 983 HE22 GLN 117 HE22 GLN 117 4.185 -31.300 4.656
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