NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
479070 | 2km4 | 16411 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 2 H ALA 2 1.807 -0.001 0.855 2 HA ALA 2 HA ALA 2 1.417 0.241 -2.049 3 HB1 ALA 2 1HB ALA 2 3.324 1.385 -0.174 4 HB2 ALA 2 2HB ALA 2 4.098 0.660 -1.583 5 HB3 ALA 2 3HB ALA 2 2.874 1.911 -1.796 6 H PHE 3 H PHE 3 2.919 -1.689 0.457 7 HA PHE 3 HA PHE 3 3.977 -3.527 -1.576 8 HB2 PHE 3 2HB PHE 3 5.317 -2.523 0.496 9 HB3 PHE 3 3HB PHE 3 4.581 -3.895 1.319 10 HD1 PHE 3 HD2 PHE 3 6.240 -3.271 -1.970 11 HD2 PHE 3 HD1 PHE 3 5.923 -5.735 1.486 12 HE1 PHE 3 HE2 PHE 3 7.998 -4.743 -2.862 13 HE2 PHE 3 HE1 PHE 3 7.681 -7.211 0.599 14 HZ PHE 3 HZ PHE 3 8.721 -6.716 -1.578 15 H SER 4 H SER 4 3.947 -5.902 -0.765 16 HA SER 4 HA SER 4 1.244 -6.709 -0.631 17 HB2 SER 4 2HB SER 4 3.574 -8.487 0.070 18 HB3 SER 4 3HB SER 4 2.048 -8.931 -0.694 19 HG SER 4 HG SER 4 4.270 -8.385 -1.909 20 H SER 5 H SER 5 0.251 -5.868 1.184 21 HA SER 5 HA SER 5 1.231 -5.892 3.790 22 HB2 SER 5 2HB SER 5 -1.697 -6.218 3.166 23 HB3 SER 5 3HB SER 5 -0.946 -5.324 4.488 24 HG SER 5 HG SER 5 -0.725 -3.655 3.223 25 H GLU 6 H GLU 6 -0.101 -8.440 1.875 26 HA GLU 6 HA GLU 6 -0.997 -10.188 3.866 27 HB2 GLU 6 2HB GLU 6 -1.228 -10.365 1.308 28 HB3 GLU 6 3HB GLU 6 0.361 -11.118 1.347 29 HG2 GLU 6 2HG GLU 6 -0.713 -12.691 3.109 30 HG3 GLU 6 3HG GLU 6 -2.234 -12.124 2.422 31 H GLN 7 H GLN 7 2.226 -9.571 2.609 32 HA GLN 7 HA GLN 7 3.504 -11.771 3.852 33 HB2 GLN 7 2HB GLN 7 4.401 -9.221 2.595 34 HB3 GLN 7 3HB GLN 7 5.547 -10.098 3.599 35 HG2 GLN 7 2HG GLN 7 6.006 -10.948 1.523 36 HG3 GLN 7 3HG GLN 7 4.859 -12.135 2.142 37 HE21 GLN 7 1HE2 GLN 7 5.673 -10.609 -0.544 38 HE22 GLN 7 2HE2 GLN 7 4.138 -10.459 -1.321 39 H PHE 8 H PHE 8 3.385 -8.323 4.750 40 HA PHE 8 HA PHE 8 4.754 -8.545 7.169 41 HB2 PHE 8 2HB PHE 8 4.143 -6.413 5.964 42 HB3 PHE 8 3HB PHE 8 2.515 -6.596 6.608 43 HD1 PHE 8 HD2 PHE 8 5.819 -7.175 8.218 44 HD2 PHE 8 HD1 PHE 8 2.232 -4.885 8.133 45 HE1 PHE 8 HE2 PHE 8 6.510 -6.022 10.279 46 HE2 PHE 8 HE1 PHE 8 2.917 -3.728 10.193 47 HZ PHE 8 HZ PHE 8 5.058 -4.296 11.270 48 H THR 9 H THR 9 1.333 -8.958 6.426 49 HA THR 9 HA THR 9 0.492 -9.224 9.137 50 HB THR 9 HB THR 9 -0.952 -10.321 6.724 51 HG1 THR 9 HG1 THR 9 -1.281 -8.327 6.119 52 HG21 THR 9 3HG2 THR 9 -2.179 -9.095 9.170 53 HG22 THR 9 1HG2 THR 9 -1.674 -10.784 9.168 54 HG23 THR 9 2HG2 THR 9 -2.888 -10.225 8.018 55 H THR 10 H THR 10 0.963 -11.600 6.521 56 HA THR 10 HA THR 10 0.407 -13.894 7.998 57 HB THR 10 HB THR 10 2.330 -13.580 5.684 58 HG1 THR 10 HG1 THR 10 0.472 -14.394 4.517 59 HG21 THR 10 3HG2 THR 10 1.660 -15.865 7.338 60 HG22 THR 10 1HG2 THR 10 2.897 -15.703 6.092 61 HG23 THR 10 2HG2 THR 10 1.248 -16.140 5.645 62 H LYS 11 H LYS 11 3.361 -12.013 7.733 63 HA LYS 11 HA LYS 11 4.998 -13.924 9.105 64 HB2 LYS 11 2HB LYS 11 5.358 -11.071 8.241 65 HB3 LYS 11 3HB LYS 11 6.534 -11.836 9.301 66 HG2 LYS 11 2HG LYS 11 6.480 -13.707 7.447 67 HG3 LYS 11 3HG LYS 11 5.922 -12.366 6.444 68 HD2 LYS 11 2HD LYS 11 8.222 -12.273 6.172 69 HD3 LYS 11 3HD LYS 11 7.944 -11.096 7.458 70 HE2 LYS 11 2HE LYS 11 8.550 -12.759 9.130 71 HE3 LYS 11 3HE LYS 11 8.775 -13.968 7.866 72 HZ1 LYS 11 3HZ LYS 11 10.304 -11.630 7.338 73 HZ2 LYS 11 1HZ LYS 11 10.819 -13.234 7.492 74 HZ3 LYS 11 2HZ LYS 11 10.678 -12.256 8.865 75 H LEU 12 H LEU 12 3.418 -10.874 10.000 76 HA LEU 12 HA LEU 12 4.350 -10.744 12.639 77 HB2 LEU 12 2HB LEU 12 1.967 -9.630 11.217 78 HB3 LEU 12 3HB LEU 12 2.129 -9.433 12.961 79 HG LEU 12 HG LEU 12 4.266 -8.533 11.047 80 HD11 LEU 12 1HD1 LEU 12 2.723 -7.097 10.257 81 HD12 LEU 12 2HD1 LEU 12 3.049 -6.239 11.762 82 HD13 LEU 12 3HD1 LEU 12 1.654 -7.311 11.643 83 HD21 LEU 12 3HD2 LEU 12 5.338 -8.001 12.913 84 HD22 LEU 12 1HD2 LEU 12 4.005 -8.644 13.873 85 HD23 LEU 12 2HD2 LEU 12 4.002 -6.949 13.385 86 H ASN 13 H ASN 13 1.603 -12.417 11.216 87 HA ASN 13 HA ASN 13 0.413 -13.173 13.692 88 HB2 ASN 13 2HB ASN 13 0.035 -13.901 10.824 89 HB3 ASN 13 3HB ASN 13 -0.621 -14.989 12.044 90 HD21 ASN 13 1HD2 ASN 13 -1.720 -12.946 10.030 91 HD22 ASN 13 2HD2 ASN 13 -2.877 -12.061 10.958 92 H THR 14 H THR 14 2.959 -14.454 11.722 93 HA THR 14 HA THR 14 3.050 -16.890 13.372 94 HB THR 14 HB THR 14 4.579 -17.787 11.607 95 HG1 THR 14 HG1 THR 14 5.336 -16.008 10.560 96 HG21 THR 14 3HG2 THR 14 1.838 -16.906 10.693 97 HG22 THR 14 1HG2 THR 14 2.221 -18.379 11.584 98 HG23 THR 14 2HG2 THR 14 2.805 -18.169 9.933 99 H LEU 15 H LEU 15 4.092 -14.096 13.944 100 HA LEU 15 HA LEU 15 6.946 -14.301 13.908 101 HB2 LEU 15 2HB LEU 15 4.932 -12.371 14.815 102 HB3 LEU 15 3HB LEU 15 6.406 -12.398 15.782 103 HG LEU 15 HG LEU 15 6.252 -11.903 12.808 104 HD11 LEU 15 1HD1 LEU 15 7.193 -9.900 14.797 105 HD12 LEU 15 2HD1 LEU 15 5.459 -10.140 14.586 106 HD13 LEU 15 3HD1 LEU 15 6.456 -9.662 13.213 107 HD21 LEU 15 3HD2 LEU 15 8.406 -12.768 14.455 108 HD22 LEU 15 1HD2 LEU 15 8.715 -11.106 13.952 109 HD23 LEU 15 2HD2 LEU 15 8.422 -12.354 12.740 110 H GLU 16 H GLU 16 8.245 -15.261 15.329 111 HA GLU 16 HA GLU 16 7.077 -16.169 17.876 112 HB2 GLU 16 2HB GLU 16 9.008 -17.411 15.977 113 HB3 GLU 16 3HB GLU 16 9.208 -17.750 17.690 114 HG2 GLU 16 2HG GLU 16 7.894 -19.489 16.759 115 HG3 GLU 16 3HG GLU 16 6.831 -18.492 17.750 116 H ASP 17 H ASP 17 8.674 -16.401 19.674 117 HA ASP 17 HA ASP 17 10.188 -13.943 19.902 118 HB2 ASP 17 2HB ASP 17 8.681 -15.079 21.709 119 HB3 ASP 17 3HB ASP 17 10.107 -16.064 22.022 120 H SER 18 H SER 18 11.917 -14.287 18.477 121 HA SER 18 HA SER 18 14.081 -15.850 19.624 122 HB2 SER 18 2HB SER 18 12.861 -17.363 18.011 123 HB3 SER 18 3HB SER 18 13.323 -16.250 16.724 124 HG SER 18 HG SER 18 15.523 -16.638 17.343 125 H GLN 19 H GLN 19 16.125 -15.121 19.047 126 HA GLN 19 HA GLN 19 16.356 -12.408 18.374 127 HB2 GLN 19 2HB GLN 19 18.299 -14.666 18.658 128 HB3 GLN 19 3HB GLN 19 18.849 -13.133 17.994 129 HG2 GLN 19 2HG GLN 19 17.313 -13.071 20.529 130 HG3 GLN 19 3HG GLN 19 18.967 -13.677 20.576 131 HE21 GLN 19 1HE2 GLN 19 16.954 -10.926 19.773 132 HE22 GLN 19 2HE2 GLN 19 18.200 -9.736 19.892 133 H GLU 20 H GLU 20 16.658 -15.335 16.442 134 HA GLU 20 HA GLU 20 17.603 -13.978 14.103 135 HB2 GLU 20 2HB GLU 20 16.736 -16.750 14.768 136 HB3 GLU 20 3HB GLU 20 16.737 -16.273 13.076 137 HG2 GLU 20 2HG GLU 20 19.124 -15.562 13.382 138 HG3 GLU 20 3HG GLU 20 19.068 -16.323 14.971 139 H SER 21 H SER 21 14.479 -14.964 15.353 140 HA SER 21 HA SER 21 12.953 -14.651 13.024 141 HB2 SER 21 2HB SER 21 12.063 -15.748 15.019 142 HB3 SER 21 3HB SER 21 12.142 -14.229 15.912 143 HG SER 21 HG SER 21 10.051 -14.546 15.145 144 H ILE 22 H ILE 22 13.619 -12.337 15.644 145 HA ILE 22 HA ILE 22 12.171 -10.180 14.658 146 HB ILE 22 HB ILE 22 14.764 -10.106 16.206 147 HG12 ILE 22 2HG1 ILE 22 12.939 -11.376 17.302 148 HG13 ILE 22 3HG1 ILE 22 13.359 -9.909 18.181 149 HG21 ILE 22 1HG2 ILE 22 13.985 -7.861 16.918 150 HG22 ILE 22 2HG2 ILE 22 14.360 -7.963 15.199 151 HG23 ILE 22 3HG2 ILE 22 12.681 -7.980 15.738 152 HD11 ILE 22 3HD1 ILE 22 11.259 -9.239 18.093 153 HD12 ILE 22 1HD1 ILE 22 11.286 -9.302 16.331 154 HD13 ILE 22 2HD1 ILE 22 10.832 -10.732 17.258 155 H SER 23 H SER 23 15.556 -11.070 14.048 156 HA SER 23 HA SER 23 16.120 -8.865 12.362 157 HB2 SER 23 2HB SER 23 17.764 -10.467 13.559 158 HB3 SER 23 3HB SER 23 17.530 -11.518 12.162 159 HG SER 23 HG SER 23 19.210 -9.561 12.328 160 H SER 24 H SER 24 14.991 -12.152 11.749 161 HA SER 24 HA SER 24 15.228 -12.246 8.991 162 HB2 SER 24 2HB SER 24 14.597 -14.240 10.121 163 HB3 SER 24 3HB SER 24 13.189 -13.469 10.851 164 HG SER 24 HG SER 24 13.580 -14.279 8.177 165 H ALA 25 H ALA 25 12.468 -11.085 10.913 166 HA ALA 25 HA ALA 25 11.036 -10.191 8.588 167 HB1 ALA 25 1HB ALA 25 10.570 -10.154 11.524 168 HB2 ALA 25 2HB ALA 25 9.666 -9.019 10.519 169 HB3 ALA 25 3HB ALA 25 9.543 -10.753 10.221 170 H SER 26 H SER 26 12.992 -8.687 11.113 171 HA SER 26 HA SER 26 12.477 -6.013 10.607 172 HB2 SER 26 2HB SER 26 14.930 -7.448 11.600 173 HB3 SER 26 3HB SER 26 14.922 -5.696 11.396 174 HG SER 26 HG SER 26 14.018 -7.063 13.444 175 H LYS 27 H LYS 27 14.919 -8.113 9.108 176 HA LYS 27 HA LYS 27 16.133 -6.240 7.455 177 HB2 LYS 27 2HB LYS 27 15.886 -9.174 7.514 178 HB3 LYS 27 3HB LYS 27 16.225 -8.498 5.926 179 HG2 LYS 27 2HG LYS 27 18.304 -9.034 6.934 180 HG3 LYS 27 3HG LYS 27 18.151 -7.275 6.948 181 HD2 LYS 27 2HD LYS 27 17.228 -7.549 9.314 182 HD3 LYS 27 3HD LYS 27 17.842 -9.202 9.236 183 HE2 LYS 27 2HE LYS 27 19.523 -7.901 10.284 184 HE3 LYS 27 3HE LYS 27 20.084 -8.221 8.643 185 HZ1 LYS 27 3HZ LYS 27 20.274 -5.852 9.580 186 HZ2 LYS 27 1HZ LYS 27 18.616 -5.740 9.259 187 HZ3 LYS 27 2HZ LYS 27 19.703 -6.050 8.000 188 H TRP 28 H TRP 28 13.219 -8.167 6.921 189 HA TRP 28 HA TRP 28 12.808 -7.379 4.235 190 HB2 TRP 28 2HB TRP 28 11.736 -9.362 5.240 191 HB3 TRP 28 3HB TRP 28 10.776 -8.310 6.275 192 HD1 TRP 28 HD1 TRP 28 11.336 -8.716 2.445 193 HE1 TRP 28 HE1 TRP 28 9.060 -8.405 1.284 194 HE3 TRP 28 HE3 TRP 28 8.458 -7.723 6.552 195 HZ2 TRP 28 HZ2 TRP 28 6.397 -7.816 2.013 196 HZ3 TRP 28 HZ3 TRP 28 6.056 -7.296 6.234 197 HH2 TRP 28 HH2 TRP 28 5.049 -7.341 4.010 198 H LEU 29 H LEU 29 11.660 -6.093 7.323 199 HA LEU 29 HA LEU 29 9.945 -4.131 6.194 200 HB2 LEU 29 2HB LEU 29 11.104 -4.660 8.883 201 HB3 LEU 29 3HB LEU 29 10.406 -3.073 8.569 202 HG LEU 29 HG LEU 29 8.830 -5.570 8.050 203 HD11 LEU 29 1HD1 LEU 29 9.716 -4.557 10.628 204 HD12 LEU 29 2HD1 LEU 29 8.937 -6.084 10.216 205 HD13 LEU 29 3HD1 LEU 29 7.960 -4.642 10.488 206 HD21 LEU 29 3HD2 LEU 29 8.253 -2.663 8.482 207 HD22 LEU 29 1HD2 LEU 29 7.011 -3.883 8.764 208 HD23 LEU 29 2HD2 LEU 29 7.739 -3.720 7.166 209 H LEU 30 H LEU 30 13.345 -4.218 6.994 210 HA LEU 30 HA LEU 30 13.922 -1.491 7.024 211 HB2 LEU 30 2HB LEU 30 15.364 -3.785 7.278 212 HB3 LEU 30 3HB LEU 30 15.927 -3.192 5.717 213 HG LEU 30 HG LEU 30 17.452 -2.405 7.349 214 HD11 LEU 30 1HD1 LEU 30 15.687 -0.019 6.966 215 HD12 LEU 30 2HD1 LEU 30 16.489 -0.782 5.594 216 HD13 LEU 30 3HD1 LEU 30 17.447 -0.125 6.921 217 HD21 LEU 30 3HD2 LEU 30 14.992 -1.663 8.895 218 HD22 LEU 30 1HD2 LEU 30 16.552 -0.910 9.229 219 HD23 LEU 30 2HD2 LEU 30 16.361 -2.655 9.397 220 H LEU 31 H LEU 31 13.224 -3.627 4.378 221 HA LEU 31 HA LEU 31 14.121 -1.685 2.398 222 HB2 LEU 31 2HB LEU 31 13.219 -4.521 2.333 223 HB3 LEU 31 3HB LEU 31 13.058 -3.553 0.870 224 HG LEU 31 HG LEU 31 15.525 -3.082 1.038 225 HD11 LEU 31 1HD1 LEU 31 15.253 -5.093 3.248 226 HD12 LEU 31 2HD1 LEU 31 16.060 -3.525 3.272 227 HD13 LEU 31 3HD1 LEU 31 16.768 -4.867 2.372 228 HD21 LEU 31 3HD2 LEU 31 14.921 -4.623 -0.601 229 HD22 LEU 31 1HD2 LEU 31 14.412 -5.828 0.583 230 HD23 LEU 31 2HD2 LEU 31 16.128 -5.487 0.354 231 H GLN 32 H GLN 32 11.675 -1.527 4.294 232 HA GLN 32 HA GLN 32 9.665 -0.971 2.216 233 HB2 GLN 32 2HB GLN 32 9.209 -1.454 5.164 234 HB3 GLN 32 3HB GLN 32 7.966 -1.225 3.941 235 HG2 GLN 32 2HG GLN 32 9.941 -3.463 3.733 236 HG3 GLN 32 3HG GLN 32 8.496 -3.606 4.734 237 HE21 GLN 32 1HE2 GLN 32 9.740 -3.368 1.507 238 HE22 GLN 32 2HE2 GLN 32 8.278 -3.793 0.690 239 H TYR 33 H TYR 33 11.867 0.784 3.043 240 HA TYR 33 HA TYR 33 11.085 2.810 4.780 241 HB2 TYR 33 2HB TYR 33 12.802 4.137 3.817 242 HB3 TYR 33 3HB TYR 33 13.360 2.472 3.700 243 HD1 TYR 33 HD1 TYR 33 12.885 1.263 1.442 244 HD2 TYR 33 HD2 TYR 33 12.831 5.490 1.930 245 HE1 TYR 33 HE1 TYR 33 13.219 1.541 -0.979 246 HE2 TYR 33 HE2 TYR 33 13.163 5.779 -0.490 247 HH TYR 33 HH TYR 33 14.325 3.704 -2.447 248 H ARG 34 H ARG 34 10.040 2.104 1.559 249 HA ARG 34 HA ARG 34 8.947 4.703 1.018 250 HB2 ARG 34 2HB ARG 34 8.372 2.058 -0.331 251 HB3 ARG 34 3HB ARG 34 7.956 3.650 -0.952 252 HG2 ARG 34 2HG ARG 34 10.555 4.039 -0.707 253 HG3 ARG 34 3HG ARG 34 10.584 2.280 -0.845 254 HD2 ARG 34 2HD ARG 34 9.279 4.176 -2.794 255 HD3 ARG 34 3HD ARG 34 10.836 3.381 -3.024 256 HE ARG 34 HE ARG 34 8.840 1.452 -2.525 257 HH11 ARG 34 1HH1 ARG 34 9.923 3.665 -4.984 258 HH12 ARG 34 2HH1 ARG 34 9.315 2.710 -6.296 259 HH21 ARG 34 1HH2 ARG 34 8.035 0.186 -4.243 260 HH22 ARG 34 2HH2 ARG 34 8.241 0.732 -5.873 261 H ASP 35 H ASP 35 7.832 1.760 2.500 262 HA ASP 35 HA ASP 35 5.070 2.722 2.547 263 HB2 ASP 35 2HB ASP 35 5.953 0.146 3.798 264 HB3 ASP 35 3HB ASP 35 4.409 0.551 3.055 265 H ALA 36 H ALA 36 6.853 4.264 4.020 266 HA ALA 36 HA ALA 36 7.203 3.630 6.693 267 HB1 ALA 36 1HB ALA 36 7.424 5.953 5.067 268 HB2 ALA 36 2HB ALA 36 6.583 6.388 6.555 269 HB3 ALA 36 3HB ALA 36 8.170 5.624 6.631 270 HA PRO 37 HA PRO 37 2.948 5.659 7.729 271 HB2 PRO 37 2HB PRO 37 1.326 6.312 5.652 272 HB3 PRO 37 3HB PRO 37 2.526 7.424 6.321 273 HG2 PRO 37 2HG PRO 37 2.699 5.693 3.885 274 HG3 PRO 37 3HG PRO 37 3.211 7.377 4.099 275 HD2 PRO 37 2HD PRO 37 4.952 5.304 4.171 276 HD3 PRO 37 3HD PRO 37 5.181 6.778 5.135 277 H LYS 38 H LYS 38 3.022 3.623 4.843 278 HA LYS 38 HA LYS 38 0.535 2.358 5.209 279 HB2 LYS 38 2HB LYS 38 2.974 1.865 3.614 280 HB3 LYS 38 3HB LYS 38 1.977 0.452 3.933 281 HG2 LYS 38 2HG LYS 38 0.712 2.949 2.900 282 HG3 LYS 38 3HG LYS 38 1.580 1.877 1.798 283 HD2 LYS 38 2HD LYS 38 0.125 0.073 2.250 284 HD3 LYS 38 3HD LYS 38 -0.560 0.880 3.663 285 HE2 LYS 38 2HE LYS 38 -0.814 2.023 0.897 286 HE3 LYS 38 3HE LYS 38 -1.961 0.840 1.524 287 HZ1 LYS 38 3HZ LYS 38 -2.907 2.893 2.014 288 HZ2 LYS 38 1HZ LYS 38 -1.437 3.583 2.489 289 HZ3 LYS 38 2HZ LYS 38 -2.192 2.436 3.477 290 H VAL 39 H VAL 39 3.813 1.213 6.026 291 HA VAL 39 HA VAL 39 3.016 -1.129 7.341 292 HB VAL 39 HB VAL 39 5.487 0.545 7.814 293 HG11 VAL 39 1HG1 VAL 39 4.845 -2.295 8.600 294 HG12 VAL 39 2HG1 VAL 39 6.451 -1.568 8.686 295 HG13 VAL 39 3HG1 VAL 39 5.140 -0.934 9.681 296 HG21 VAL 39 3HG2 VAL 39 6.266 -0.241 5.887 297 HG22 VAL 39 1HG2 VAL 39 5.925 -1.899 6.385 298 HG23 VAL 39 2HG2 VAL 39 4.682 -0.949 5.570 299 H ALA 40 H ALA 40 3.524 2.154 8.543 300 HA ALA 40 HA ALA 40 3.243 1.576 11.288 301 HB1 ALA 40 1HB ALA 40 4.002 3.671 11.256 302 HB2 ALA 40 2HB ALA 40 3.407 3.947 9.618 303 HB3 ALA 40 3HB ALA 40 2.328 4.163 10.997 304 H GLU 41 H GLU 41 0.894 2.508 8.807 305 HA GLU 41 HA GLU 41 -1.323 2.757 10.537 306 HB2 GLU 41 2HB GLU 41 -1.024 3.512 8.064 307 HB3 GLU 41 3HB GLU 41 -1.586 1.892 7.675 308 HG2 GLU 41 2HG GLU 41 -3.634 2.315 8.966 309 HG3 GLU 41 3HG GLU 41 -3.075 3.956 9.282 310 H MET 42 H MET 42 -0.266 0.072 8.451 311 HA MET 42 HA MET 42 -2.312 -1.711 9.212 312 HB2 MET 42 2HB MET 42 -0.503 -1.774 7.267 313 HB3 MET 42 3HB MET 42 0.366 -2.763 8.432 314 HG2 MET 42 2HG MET 42 -2.046 -3.937 8.542 315 HG3 MET 42 3HG MET 42 -2.063 -3.353 6.880 316 HE1 MET 42 3HE MET 42 -1.046 -6.371 9.066 317 HE2 MET 42 1HE MET 42 0.672 -6.538 8.702 318 HE3 MET 42 2HE MET 42 0.084 -5.101 9.538 319 H TRP 43 H TRP 43 1.056 -1.410 10.323 320 HA TRP 43 HA TRP 43 1.065 -3.484 12.168 321 HB2 TRP 43 2HB TRP 43 3.070 -2.198 11.465 322 HB3 TRP 43 3HB TRP 43 2.505 -0.835 12.426 323 HD1 TRP 43 HD1 TRP 43 3.849 -4.419 12.849 324 HE1 TRP 43 HE1 TRP 43 4.821 -4.642 15.222 325 HE3 TRP 43 HE3 TRP 43 2.444 0.122 14.731 326 HZ2 TRP 43 HZ2 TRP 43 4.972 -3.097 17.580 327 HZ3 TRP 43 HZ3 TRP 43 3.041 0.671 17.054 328 HH2 TRP 43 HH2 TRP 43 4.278 -0.906 18.447 329 H LYS 44 H LYS 44 0.199 -0.072 12.667 330 HA LYS 44 HA LYS 44 -0.368 -0.253 15.406 331 HB2 LYS 44 2HB LYS 44 -0.110 1.907 14.425 332 HB3 LYS 44 3HB LYS 44 -1.391 1.604 13.259 333 HG2 LYS 44 2HG LYS 44 -3.033 1.587 15.072 334 HG3 LYS 44 3HG LYS 44 -1.745 1.905 16.236 335 HD2 LYS 44 2HD LYS 44 -1.496 4.079 15.574 336 HD3 LYS 44 3HD LYS 44 -2.018 3.749 13.920 337 HE2 LYS 44 2HE LYS 44 -3.869 3.694 16.296 338 HE3 LYS 44 3HE LYS 44 -3.608 5.124 15.299 339 HZ1 LYS 44 3HZ LYS 44 -4.173 3.316 13.433 340 HZ2 LYS 44 1HZ LYS 44 -5.346 4.287 14.171 341 HZ3 LYS 44 2HZ LYS 44 -5.096 2.703 14.711 342 H GLU 45 H GLU 45 -2.698 -0.158 12.700 343 HA GLU 45 HA GLU 45 -4.974 -0.752 14.170 344 HB2 GLU 45 2HB GLU 45 -4.195 -0.954 11.319 345 HB3 GLU 45 3HB GLU 45 -5.592 -1.900 11.810 346 HG2 GLU 45 2HG GLU 45 -5.328 1.034 12.390 347 HG3 GLU 45 3HG GLU 45 -6.059 0.406 10.914 348 H TYR 46 H TYR 46 -2.422 -2.836 13.083 349 HA TYR 46 HA TYR 46 -3.887 -5.281 13.473 350 HB2 TYR 46 2HB TYR 46 -2.166 -5.393 11.851 351 HB3 TYR 46 3HB TYR 46 -0.990 -4.652 12.930 352 HD1 TYR 46 HD1 TYR 46 -2.744 -7.749 12.062 353 HD2 TYR 46 HD2 TYR 46 0.127 -5.959 14.642 354 HE1 TYR 46 HE1 TYR 46 -1.982 -9.983 12.753 355 HE2 TYR 46 HE2 TYR 46 0.898 -8.188 15.340 356 HH TYR 46 HH TYR 46 -0.764 -11.110 14.320 357 H MET 47 H MET 47 -1.584 -3.349 15.305 358 HA MET 47 HA MET 47 -1.286 -5.265 17.412 359 HB2 MET 47 2HB MET 47 -0.591 -2.331 17.240 360 HB3 MET 47 3HB MET 47 -0.199 -3.350 18.619 361 HG2 MET 47 2HG MET 47 0.685 -4.153 15.887 362 HG3 MET 47 3HG MET 47 1.568 -2.909 16.768 363 HE1 MET 47 3HE MET 47 3.668 -4.384 19.110 364 HE2 MET 47 1HE MET 47 2.617 -3.019 18.731 365 HE3 MET 47 2HE MET 47 2.144 -4.177 19.975 366 H LEU 48 H LEU 48 -3.550 -2.778 16.653 367 HA LEU 48 HA LEU 48 -4.617 -2.749 19.377 368 HB2 LEU 48 2HB LEU 48 -5.473 -1.151 16.969 369 HB3 LEU 48 3HB LEU 48 -6.010 -0.912 18.631 370 HG LEU 48 HG LEU 48 -3.204 -0.471 17.611 371 HD11 LEU 48 1HD1 LEU 48 -5.435 1.135 17.278 372 HD12 LEU 48 2HD1 LEU 48 -3.749 1.635 17.156 373 HD13 LEU 48 3HD1 LEU 48 -4.614 1.818 18.682 374 HD21 LEU 48 3HD2 LEU 48 -4.342 -0.707 20.279 375 HD22 LEU 48 1HD2 LEU 48 -3.496 0.820 20.024 376 HD23 LEU 48 2HD2 LEU 48 -2.655 -0.709 19.761 377 H ARG 49 H ARG 49 -4.830 -5.114 17.689 378 HA ARG 49 HA ARG 49 -7.746 -5.225 17.294 379 HB2 ARG 49 2HB ARG 49 -5.456 -6.480 15.882 380 HB3 ARG 49 3HB ARG 49 -6.910 -7.454 16.057 381 HG2 ARG 49 2HG ARG 49 -8.201 -5.962 14.803 382 HG3 ARG 49 3HG ARG 49 -7.013 -4.667 14.961 383 HD2 ARG 49 2HD ARG 49 -6.442 -5.310 12.875 384 HD3 ARG 49 3HD ARG 49 -5.508 -6.530 13.740 385 HE ARG 49 HE ARG 49 -6.893 -8.123 12.876 386 HH11 ARG 49 1HH1 ARG 49 -8.486 -5.034 12.675 387 HH12 ARG 49 2HH1 ARG 49 -9.840 -5.644 11.782 388 HH21 ARG 49 1HH2 ARG 49 -8.669 -8.938 11.700 389 HH22 ARG 49 2HH2 ARG 49 -9.943 -7.865 11.228 390 HA PRO 50 HA PRO 50 -8.192 -8.109 20.573 391 HB2 PRO 50 2HB PRO 50 -10.209 -9.667 19.638 392 HB3 PRO 50 3HB PRO 50 -10.456 -8.008 20.196 393 HG2 PRO 50 2HG PRO 50 -10.169 -9.044 17.402 394 HG3 PRO 50 3HG PRO 50 -11.306 -7.841 18.038 395 HD2 PRO 50 2HD PRO 50 -9.064 -7.154 16.684 396 HD3 PRO 50 3HD PRO 50 -9.743 -6.148 17.980 397 H SER 51 H SER 51 -8.192 -9.613 17.345 398 HA SER 51 HA SER 51 -7.639 -12.220 18.027 399 HB2 SER 51 2HB SER 51 -6.844 -12.533 15.803 400 HB3 SER 51 3HB SER 51 -8.072 -11.271 15.707 401 HG SER 51 HG SER 51 -5.959 -10.925 14.595 402 H VAL 52 H VAL 52 -5.318 -9.582 17.509 403 HA VAL 52 HA VAL 52 -2.990 -11.104 17.955 404 HB VAL 52 HB VAL 52 -3.401 -8.146 18.417 405 HG11 VAL 52 1HG1 VAL 52 -0.856 -9.690 17.930 406 HG12 VAL 52 2HG1 VAL 52 -1.000 -7.950 18.184 407 HG13 VAL 52 3HG1 VAL 52 -1.382 -9.068 19.494 408 HG21 VAL 52 3HG2 VAL 52 -3.901 -8.355 16.188 409 HG22 VAL 52 1HG2 VAL 52 -2.148 -8.180 16.106 410 HG23 VAL 52 2HG2 VAL 52 -2.882 -9.779 15.979 411 H ASN 53 H ASN 53 -2.166 -11.931 19.756 412 HA ASN 53 HA ASN 53 -3.374 -11.245 22.316 413 HB2 ASN 53 2HB ASN 53 -1.525 -13.452 21.419 414 HB3 ASN 53 3HB ASN 53 -1.893 -13.175 23.119 415 HD21 ASN 53 1HD2 ASN 53 -2.486 -15.471 21.432 416 HD22 ASN 53 2HD2 ASN 53 -4.200 -15.678 21.489 417 H THR 54 H THR 54 -1.514 -11.582 24.163 418 HA THR 54 HA THR 54 -0.049 -9.179 24.131 419 HB THR 54 HB THR 54 1.218 -10.495 26.088 420 HG1 THR 54 HG1 THR 54 0.352 -12.491 25.924 421 HG21 THR 54 3HG2 THR 54 -1.423 -9.971 27.070 422 HG22 THR 54 1HG2 THR 54 -0.981 -8.741 25.887 423 HG23 THR 54 2HG2 THR 54 0.049 -9.027 27.290 424 H ARG 55 H ARG 55 1.019 -12.558 23.793 425 HA ARG 55 HA ARG 55 3.739 -12.151 23.561 426 HB2 ARG 55 2HB ARG 55 2.305 -14.342 23.545 427 HB3 ARG 55 3HB ARG 55 2.375 -14.153 21.798 428 HG2 ARG 55 2HG ARG 55 4.756 -14.302 21.803 429 HG3 ARG 55 3HG ARG 55 4.806 -14.242 23.566 430 HD2 ARG 55 2HD ARG 55 3.613 -16.377 23.669 431 HD3 ARG 55 3HD ARG 55 3.561 -16.433 21.908 432 HE ARG 55 HE ARG 55 6.220 -16.183 22.565 433 HH11 ARG 55 1HH1 ARG 55 3.658 -18.445 23.229 434 HH12 ARG 55 2HH1 ARG 55 4.720 -19.807 23.364 435 HH21 ARG 55 1HH2 ARG 55 7.628 -17.969 22.741 436 HH22 ARG 55 2HH2 ARG 55 6.978 -19.536 23.087 437 H ARG 56 H ARG 56 1.370 -12.294 20.898 438 HA ARG 56 HA ARG 56 3.090 -11.764 18.796 439 HB2 ARG 56 2HB ARG 56 0.210 -10.900 19.113 440 HB3 ARG 56 3HB ARG 56 1.097 -10.916 17.595 441 HG2 ARG 56 2HG ARG 56 0.914 -13.429 19.179 442 HG3 ARG 56 3HG ARG 56 -0.488 -12.890 18.252 443 HD2 ARG 56 2HD ARG 56 1.247 -12.625 16.323 444 HD3 ARG 56 3HD ARG 56 2.214 -13.733 17.294 445 HE ARG 56 HE ARG 56 -0.129 -14.366 15.766 446 HH11 ARG 56 1HH1 ARG 56 1.813 -15.278 18.508 447 HH12 ARG 56 2HH1 ARG 56 1.302 -16.933 18.485 448 HH21 ARG 56 1HH2 ARG 56 -0.810 -16.543 15.725 449 HH22 ARG 56 2HH2 ARG 56 -0.189 -17.652 16.901 450 H LYS 57 H LYS 57 1.412 -9.496 20.930 451 HA LYS 57 HA LYS 57 2.209 -7.139 19.592 452 HB2 LYS 57 2HB LYS 57 1.206 -7.746 22.353 453 HB3 LYS 57 3HB LYS 57 1.782 -6.131 21.961 454 HG2 LYS 57 2HG LYS 57 0.056 -5.726 20.488 455 HG3 LYS 57 3HG LYS 57 -0.251 -7.442 20.213 456 HD2 LYS 57 2HD LYS 57 -0.918 -7.480 22.712 457 HD3 LYS 57 3HD LYS 57 -1.040 -5.727 22.543 458 HE2 LYS 57 2HE LYS 57 -2.739 -5.905 20.915 459 HE3 LYS 57 3HE LYS 57 -2.436 -7.625 20.675 460 HZ1 LYS 57 3HZ LYS 57 -3.158 -7.919 23.046 461 HZ2 LYS 57 1HZ LYS 57 -4.378 -7.457 21.969 462 HZ3 LYS 57 2HZ LYS 57 -3.696 -6.316 23.013 463 H LEU 58 H LEU 58 3.523 -8.749 22.485 464 HA LEU 58 HA LEU 58 5.595 -7.027 23.062 465 HB2 LEU 58 2HB LEU 58 4.937 -8.949 24.445 466 HB3 LEU 58 3HB LEU 58 5.638 -10.037 23.249 467 HG LEU 58 HG LEU 58 6.972 -9.524 25.388 468 HD11 LEU 58 1HD1 LEU 58 7.705 -10.153 22.761 469 HD12 LEU 58 2HD1 LEU 58 8.628 -10.443 24.235 470 HD13 LEU 58 3HD1 LEU 58 8.877 -8.958 23.317 471 HD21 LEU 58 3HD2 LEU 58 6.552 -6.984 24.938 472 HD22 LEU 58 1HD2 LEU 58 7.957 -7.143 23.884 473 HD23 LEU 58 2HD2 LEU 58 8.094 -7.528 25.600 474 H LEU 59 H LEU 59 5.572 -9.724 20.761 475 HA LEU 59 HA LEU 59 8.287 -9.461 19.990 476 HB2 LEU 59 2HB LEU 59 5.955 -10.667 18.509 477 HB3 LEU 59 3HB LEU 59 7.650 -10.861 18.066 478 HG LEU 59 HG LEU 59 6.293 -11.921 20.542 479 HD11 LEU 59 1HD1 LEU 59 7.328 -13.172 18.019 480 HD12 LEU 59 2HD1 LEU 59 5.730 -13.316 18.749 481 HD13 LEU 59 3HD1 LEU 59 7.118 -14.100 19.504 482 HD21 LEU 59 3HD2 LEU 59 8.578 -11.160 21.025 483 HD22 LEU 59 1HD2 LEU 59 9.180 -12.156 19.700 484 HD23 LEU 59 2HD2 LEU 59 8.435 -12.917 21.106 485 H GLY 60 H GLY 60 5.252 -8.283 18.565 486 HA2 GLY 60 2HA GLY 60 6.253 -7.124 16.255 487 HA3 GLY 60 3HA GLY 60 4.846 -6.537 17.130 488 H LEU 61 H LEU 61 6.081 -5.740 19.513 489 HA LEU 61 HA LEU 61 6.915 -3.149 18.861 490 HB2 LEU 61 2HB LEU 61 6.115 -4.380 21.126 491 HB3 LEU 61 3HB LEU 61 7.845 -4.247 21.435 492 HG LEU 61 HG LEU 61 5.897 -1.999 20.944 493 HD11 LEU 61 1HD1 LEU 61 5.650 -2.418 23.160 494 HD12 LEU 61 2HD1 LEU 61 7.092 -1.407 23.245 495 HD13 LEU 61 3HD1 LEU 61 7.241 -3.163 23.313 496 HD21 LEU 61 3HD2 LEU 61 7.941 -1.436 19.818 497 HD22 LEU 61 1HD2 LEU 61 8.900 -1.942 21.209 498 HD23 LEU 61 2HD2 LEU 61 7.860 -0.523 21.325 499 H TYR 62 H TYR 62 8.787 -6.019 19.766 500 HA TYR 62 HA TYR 62 11.311 -4.743 19.776 501 HB2 TYR 62 2HB TYR 62 10.342 -7.558 19.748 502 HB3 TYR 62 3HB TYR 62 12.013 -7.271 19.278 503 HD1 TYR 62 HD2 TYR 62 13.439 -5.849 20.922 504 HD2 TYR 62 HD1 TYR 62 9.796 -7.766 21.998 505 HE1 TYR 62 HE2 TYR 62 14.091 -5.746 23.291 506 HE2 TYR 62 HE1 TYR 62 10.438 -7.667 24.370 507 HH TYR 62 HH TYR 62 11.880 -6.538 25.842 508 H LEU 63 H LEU 63 9.408 -6.292 17.265 509 HA LEU 63 HA LEU 63 11.443 -6.407 15.300 510 HB2 LEU 63 2HB LEU 63 9.449 -7.756 15.117 511 HB3 LEU 63 3HB LEU 63 8.441 -6.312 15.042 512 HG LEU 63 HG LEU 63 9.680 -5.766 12.877 513 HD11 LEU 63 1HD1 LEU 63 10.371 -8.695 13.034 514 HD12 LEU 63 2HD1 LEU 63 11.522 -7.379 13.265 515 HD13 LEU 63 3HD1 LEU 63 10.721 -7.587 11.708 516 HD21 LEU 63 3HD2 LEU 63 7.834 -8.133 13.122 517 HD22 LEU 63 1HD2 LEU 63 8.267 -7.385 11.585 518 HD23 LEU 63 2HD2 LEU 63 7.402 -6.452 12.806 519 H MET 64 H MET 64 8.712 -4.140 15.680 520 HA MET 64 HA MET 64 9.519 -2.383 13.640 521 HB2 MET 64 2HB MET 64 7.833 -0.938 14.396 522 HB3 MET 64 3HB MET 64 7.250 -2.539 14.830 523 HG2 MET 64 2HG MET 64 6.842 -1.538 16.798 524 HG3 MET 64 3HG MET 64 8.538 -1.921 17.088 525 HE1 MET 64 3HE MET 64 6.542 0.116 18.375 526 HE2 MET 64 1HE MET 64 8.128 0.422 19.084 527 HE3 MET 64 2HE MET 64 7.203 1.752 18.388 528 H ASN 65 H ASN 65 10.446 -2.662 16.992 529 HA ASN 65 HA ASN 65 11.637 -0.102 17.260 530 HB2 ASN 65 2HB ASN 65 10.989 -1.517 19.188 531 HB3 ASN 65 3HB ASN 65 12.270 -2.650 18.767 532 HD21 ASN 65 1HD2 ASN 65 13.076 -2.265 20.901 533 HD22 ASN 65 2HD2 ASN 65 14.037 -0.866 21.223 534 H HIS 66 H HIS 66 12.988 -3.313 16.542 535 HA HIS 66 HA HIS 66 15.664 -2.464 16.281 536 HB2 HIS 66 2HB HIS 66 14.931 -4.833 16.587 537 HB3 HIS 66 3HB HIS 66 14.350 -4.827 14.924 538 HD1 HIS 66 HD1 HIS 66 17.545 -4.664 16.917 539 HD2 HIS 66 HD2 HIS 66 16.282 -5.233 13.000 540 HE1 HIS 66 HE1 HIS 66 19.593 -5.386 15.648 541 H VAL 67 H VAL 67 13.018 -2.736 13.966 542 HA VAL 67 HA VAL 67 14.531 -2.246 11.634 543 HB VAL 67 HB VAL 67 11.613 -1.641 12.135 544 HG11 VAL 67 1HG1 VAL 67 13.124 -1.995 9.548 545 HG12 VAL 67 2HG1 VAL 67 11.383 -1.756 9.705 546 HG13 VAL 67 3HG1 VAL 67 12.497 -0.473 10.181 547 HG21 VAL 67 3HG2 VAL 67 11.222 -3.827 12.050 548 HG22 VAL 67 1HG2 VAL 67 12.097 -3.958 10.525 549 HG23 VAL 67 2HG2 VAL 67 12.963 -4.111 12.054 550 H VAL 68 H VAL 68 12.504 -0.053 13.583 551 HA VAL 68 HA VAL 68 13.030 2.289 12.167 552 HB VAL 68 HB VAL 68 12.431 1.951 15.108 553 HG11 VAL 68 1HG1 VAL 68 13.436 4.115 14.748 554 HG12 VAL 68 2HG1 VAL 68 12.363 4.423 13.381 555 HG13 VAL 68 3HG1 VAL 68 11.704 4.314 15.013 556 HG21 VAL 68 3HG2 VAL 68 10.843 1.382 12.940 557 HG22 VAL 68 1HG2 VAL 68 10.270 1.748 14.567 558 HG23 VAL 68 2HG2 VAL 68 10.361 3.027 13.356 559 H GLN 69 H GLN 69 14.679 0.982 15.037 560 HA GLN 69 HA GLN 69 16.522 3.009 15.434 561 HB2 GLN 69 2HB GLN 69 16.455 0.098 16.046 562 HB3 GLN 69 3HB GLN 69 17.999 0.925 16.198 563 HG2 GLN 69 2HG GLN 69 17.027 2.499 17.768 564 HG3 GLN 69 3HG GLN 69 15.452 1.727 17.586 565 HE21 GLN 69 1HE2 GLN 69 15.203 1.067 19.664 566 HE22 GLN 69 2HE2 GLN 69 16.208 -0.114 20.425 567 H GLN 70 H GLN 70 16.616 0.311 13.174 568 HA GLN 70 HA GLN 70 19.298 0.779 12.316 569 HB2 GLN 70 2HB GLN 70 17.038 -0.948 11.446 570 HB3 GLN 70 3HB GLN 70 18.305 -0.621 10.271 571 HG2 GLN 70 2HG GLN 70 19.253 -1.423 12.929 572 HG3 GLN 70 3HG GLN 70 18.345 -2.652 12.050 573 HE21 GLN 70 1HE2 GLN 70 20.573 -0.132 10.942 574 HE22 GLN 70 2HE2 GLN 70 21.679 -1.208 10.165 575 H ALA 71 H ALA 71 16.154 1.947 11.355 576 HA ALA 71 HA ALA 71 16.622 2.889 8.807 577 HB1 ALA 71 1HB ALA 71 14.585 3.115 10.637 578 HB2 ALA 71 2HB ALA 71 15.111 4.785 10.420 579 HB3 ALA 71 3HB ALA 71 14.609 3.830 9.025 580 H LYS 72 H LYS 72 17.557 4.312 11.891 581 HA LYS 72 HA LYS 72 18.341 6.838 11.047 582 HB2 LYS 72 2HB LYS 72 19.249 5.035 13.263 583 HB3 LYS 72 3HB LYS 72 20.086 6.554 12.974 584 HG2 LYS 72 2HG LYS 72 17.129 6.627 13.189 585 HG3 LYS 72 3HG LYS 72 18.063 6.360 14.663 586 HD2 LYS 72 2HD LYS 72 19.456 8.401 13.753 587 HD3 LYS 72 3HD LYS 72 17.963 8.745 12.877 588 HE2 LYS 72 2HE LYS 72 17.603 9.920 14.814 589 HE3 LYS 72 3HE LYS 72 16.865 8.373 15.228 590 HZ1 LYS 72 3HZ LYS 72 19.684 8.577 15.838 591 HZ2 LYS 72 1HZ LYS 72 18.416 7.954 16.769 592 HZ3 LYS 72 2HZ LYS 72 18.696 9.622 16.728 593 H GLY 73 H GLY 73 19.949 3.752 10.704 594 HA2 GLY 73 2HA GLY 73 22.484 4.861 9.933 595 HA3 GLY 73 3HA GLY 73 21.994 3.179 9.793 596 H GLN 74 H GLN 74 19.525 4.223 8.302 597 HA GLN 74 HA GLN 74 20.862 4.405 5.691 598 HB2 GLN 74 2HB GLN 74 17.972 3.688 6.138 599 HB3 GLN 74 3HB GLN 74 18.962 3.385 4.717 600 HG2 GLN 74 2HG GLN 74 18.972 1.973 7.352 601 HG3 GLN 74 3HG GLN 74 18.777 1.307 5.731 602 HE21 GLN 74 1HE2 GLN 74 20.645 0.629 7.913 603 HE22 GLN 74 2HE2 GLN 74 22.223 0.753 7.221 604 H LYS 75 H LYS 75 20.138 6.595 7.670 605 HA LYS 75 HA LYS 75 19.292 8.712 7.659 606 HB2 LYS 75 2HB LYS 75 19.862 8.249 4.737 607 HB3 LYS 75 3HB LYS 75 19.282 9.797 5.338 608 HG2 LYS 75 2HG LYS 75 21.516 10.191 5.388 609 HG3 LYS 75 3HG LYS 75 21.315 9.505 7.002 610 HD2 LYS 75 2HD LYS 75 23.134 8.326 6.192 611 HD3 LYS 75 3HD LYS 75 21.793 7.243 5.813 612 HE2 LYS 75 2HE LYS 75 23.216 7.365 3.895 613 HE3 LYS 75 3HE LYS 75 21.728 8.236 3.529 614 HZ1 LYS 75 3HZ LYS 75 24.148 9.228 3.083 615 HZ2 LYS 75 1HZ LYS 75 23.891 9.822 4.647 616 HZ3 LYS 75 2HZ LYS 75 22.800 10.197 3.410 617 H ILE 76 H ILE 76 17.276 7.110 8.121 618 HA ILE 76 HA ILE 76 15.120 8.028 6.332 619 HB ILE 76 HB ILE 76 14.996 5.528 8.009 620 HG12 ILE 76 2HG1 ILE 76 15.726 5.784 5.083 621 HG13 ILE 76 3HG1 ILE 76 16.820 5.304 6.376 622 HG21 ILE 76 1HG2 ILE 76 12.847 6.433 7.393 623 HG22 ILE 76 2HG2 ILE 76 13.342 6.550 5.705 624 HG23 ILE 76 3HG2 ILE 76 13.152 4.968 6.461 625 HD11 ILE 76 3HD1 ILE 76 15.405 3.327 6.784 626 HD12 ILE 76 1HD1 ILE 76 14.407 3.793 5.407 627 HD13 ILE 76 2HD1 ILE 76 16.100 3.364 5.164 628 H ILE 77 H ILE 77 13.608 9.267 7.228 629 HA ILE 77 HA ILE 77 13.434 9.338 10.170 630 HB ILE 77 HB ILE 77 12.784 11.577 8.249 631 HG12 ILE 77 2HG1 ILE 77 15.138 11.320 10.131 632 HG13 ILE 77 3HG1 ILE 77 15.219 11.013 8.400 633 HG21 ILE 77 1HG2 ILE 77 11.581 12.307 9.987 634 HG22 ILE 77 2HG2 ILE 77 12.313 11.148 11.096 635 HG23 ILE 77 3HG2 ILE 77 13.136 12.666 10.738 636 HD11 ILE 77 3HD1 ILE 77 14.048 13.563 8.777 637 HD12 ILE 77 1HD1 ILE 77 15.496 13.467 9.779 638 HD13 ILE 77 2HD1 ILE 77 15.600 13.156 8.045 639 H GLN 78 H GLN 78 11.717 8.972 7.193 640 HA GLN 78 HA GLN 78 9.105 9.538 7.993 641 HB2 GLN 78 2HB GLN 78 9.994 7.399 6.051 642 HB3 GLN 78 3HB GLN 78 8.393 8.123 6.140 643 HG2 GLN 78 2HG GLN 78 10.878 9.709 5.563 644 HG3 GLN 78 3HG GLN 78 9.892 8.964 4.306 645 HE21 GLN 78 1HE2 GLN 78 10.010 11.407 6.788 646 HE22 GLN 78 2HE2 GLN 78 8.656 12.323 6.229 647 H PHE 79 H PHE 79 11.132 6.774 8.616 648 HA PHE 79 HA PHE 79 9.067 5.005 9.447 649 HB2 PHE 79 2HB PHE 79 11.989 5.006 9.368 650 HB3 PHE 79 3HB PHE 79 11.342 4.173 10.777 651 HD1 PHE 79 HD2 PHE 79 9.031 2.801 9.930 652 HD2 PHE 79 HD1 PHE 79 12.611 3.521 7.745 653 HE1 PHE 79 HE2 PHE 79 8.584 0.814 8.550 654 HE2 PHE 79 HE1 PHE 79 12.169 1.536 6.360 655 HZ PHE 79 HZ PHE 79 10.154 0.179 6.762 656 H GLN 80 H GLN 80 11.224 7.226 11.161 657 HA GLN 80 HA GLN 80 10.395 6.530 13.769 658 HB2 GLN 80 2HB GLN 80 11.506 9.174 12.813 659 HB3 GLN 80 3HB GLN 80 11.476 8.595 14.474 660 HG2 GLN 80 2HG GLN 80 13.067 6.906 14.010 661 HG3 GLN 80 3HG GLN 80 12.933 7.165 12.271 662 HE21 GLN 80 1HE2 GLN 80 15.343 7.255 12.697 663 HE22 GLN 80 2HE2 GLN 80 16.013 8.820 12.994 664 H ASP 81 H ASP 81 9.285 8.987 11.484 665 HA ASP 81 HA ASP 81 7.395 10.143 13.292 666 HB2 ASP 81 2HB ASP 81 8.516 11.103 11.092 667 HB3 ASP 81 3HB ASP 81 7.087 10.407 10.334 668 H SER 82 H SER 82 7.321 7.602 10.890 669 HA SER 82 HA SER 82 4.470 7.382 10.801 670 HB2 SER 82 2HB SER 82 6.756 5.718 9.792 671 HB3 SER 82 3HB SER 82 5.119 5.062 9.782 672 HG SER 82 HG SER 82 4.492 6.886 8.538 673 H PHE 83 H PHE 83 7.028 5.385 12.272 674 HA PHE 83 HA PHE 83 5.143 3.752 13.685 675 HB2 PHE 83 2HB PHE 83 8.117 3.946 13.537 676 HB3 PHE 83 3HB PHE 83 7.406 3.117 14.917 677 HD1 PHE 83 HD2 PHE 83 5.234 1.611 13.947 678 HD2 PHE 83 HD1 PHE 83 8.923 2.457 12.000 679 HE1 PHE 83 HE2 PHE 83 4.983 -0.428 12.594 680 HE2 PHE 83 HE1 PHE 83 8.677 0.420 10.643 681 HZ PHE 83 HZ PHE 83 6.706 -1.027 10.940 682 H GLY 84 H GLY 84 6.662 6.764 14.260 683 HA2 GLY 84 2HA GLY 84 6.515 6.641 17.141 684 HA3 GLY 84 3HA GLY 84 6.923 8.050 16.174 685 H LYS 85 H LYS 85 4.614 8.112 14.547 686 HA LYS 85 HA LYS 85 2.856 9.553 16.225 687 HB2 LYS 85 2HB LYS 85 1.541 9.930 14.287 688 HB3 LYS 85 3HB LYS 85 3.213 9.894 13.742 689 HG2 LYS 85 2HG LYS 85 2.511 8.465 12.190 690 HG3 LYS 85 3HG LYS 85 2.435 7.273 13.489 691 HD2 LYS 85 2HD LYS 85 0.340 7.251 12.322 692 HD3 LYS 85 3HD LYS 85 0.081 7.981 13.908 693 HE2 LYS 85 2HE LYS 85 -0.965 9.589 12.737 694 HE3 LYS 85 3HE LYS 85 0.669 10.170 12.422 695 HZ1 LYS 85 3HZ LYS 85 0.525 9.621 10.277 696 HZ2 LYS 85 1HZ LYS 85 -1.147 9.545 10.528 697 HZ3 LYS 85 2HZ LYS 85 -0.218 8.133 10.590 698 H VAL 86 H VAL 86 3.069 6.226 15.395 699 HA VAL 86 HA VAL 86 0.391 5.737 16.524 700 HB VAL 86 HB VAL 86 0.433 3.561 15.405 701 HG11 VAL 86 1HG1 VAL 86 -0.340 5.739 14.285 702 HG12 VAL 86 2HG1 VAL 86 1.135 5.606 13.327 703 HG13 VAL 86 3HG1 VAL 86 -0.078 4.328 13.261 704 HG21 VAL 86 3HG2 VAL 86 2.235 3.189 13.667 705 HG22 VAL 86 1HG2 VAL 86 3.139 4.477 14.463 706 HG23 VAL 86 2HG2 VAL 86 2.732 3.008 15.349 707 H ALA 87 H ALA 87 3.516 5.796 17.423 708 HA ALA 87 HA ALA 87 3.781 3.303 18.793 709 HB1 ALA 87 1HB ALA 87 5.871 4.083 18.537 710 HB2 ALA 87 2HB ALA 87 5.349 5.768 18.512 711 HB3 ALA 87 3HB ALA 87 5.548 4.929 20.051 712 H ALA 88 H ALA 88 3.098 6.628 19.875 713 HA ALA 88 HA ALA 88 2.781 6.068 22.593 714 HB1 ALA 88 1HB ALA 88 1.987 8.217 22.819 715 HB2 ALA 88 2HB ALA 88 2.879 8.333 21.302 716 HB3 ALA 88 3HB ALA 88 1.123 8.175 21.281 717 H GLU 89 H GLU 89 0.600 5.646 19.900 718 HA GLU 89 HA GLU 89 -1.727 5.231 21.542 719 HB2 GLU 89 2HB GLU 89 -1.647 6.075 19.104 720 HB3 GLU 89 3HB GLU 89 -1.462 4.382 18.669 721 HG2 GLU 89 2HG GLU 89 -3.726 4.653 18.487 722 HG3 GLU 89 3HG GLU 89 -3.582 4.053 20.138 723 H VAL 90 H VAL 90 0.131 3.098 19.365 724 HA VAL 90 HA VAL 90 -1.074 0.704 20.149 725 HB VAL 90 HB VAL 90 1.736 1.132 19.124 726 HG11 VAL 90 1HG1 VAL 90 1.807 -1.024 19.954 727 HG12 VAL 90 2HG1 VAL 90 0.104 -1.327 19.602 728 HG13 VAL 90 3HG1 VAL 90 1.284 -1.289 18.291 729 HG21 VAL 90 3HG2 VAL 90 -0.564 0.165 17.479 730 HG22 VAL 90 1HG2 VAL 90 -0.356 1.892 17.771 731 HG23 VAL 90 2HG2 VAL 90 0.918 0.973 16.969 732 H LEU 91 H LEU 91 2.098 1.987 21.168 733 HA LEU 91 HA LEU 91 2.703 0.068 23.067 734 HB2 LEU 91 2HB LEU 91 3.359 3.008 23.164 735 HB3 LEU 91 3HB LEU 91 4.168 1.742 24.086 736 HG LEU 91 HG LEU 91 4.184 1.936 21.075 737 HD11 LEU 91 1HD1 LEU 91 6.632 2.434 22.646 738 HD12 LEU 91 2HD1 LEU 91 5.412 3.707 22.671 739 HD13 LEU 91 3HD1 LEU 91 6.080 3.158 21.134 740 HD21 LEU 91 3HD2 LEU 91 5.932 0.271 21.200 741 HD22 LEU 91 1HD2 LEU 91 4.484 -0.327 22.010 742 HD23 LEU 91 2HD2 LEU 91 5.845 0.268 22.962 743 H GLY 92 H GLY 92 0.874 3.084 23.467 744 HA2 GLY 92 2HA GLY 92 0.464 2.777 26.263 745 HA3 GLY 92 3HA GLY 92 -0.438 3.843 25.196 746 H ARG 93 H ARG 93 -1.190 1.538 23.461 747 HA ARG 93 HA ARG 93 -3.580 0.823 24.902 748 HB2 ARG 93 2HB ARG 93 -2.583 0.538 22.118 749 HB3 ARG 93 3HB ARG 93 -3.792 -0.620 22.656 750 HG2 ARG 93 2HG ARG 93 -4.110 2.370 22.791 751 HG3 ARG 93 3HG ARG 93 -4.748 1.343 21.505 752 HD2 ARG 93 2HD ARG 93 -6.010 0.078 23.248 753 HD3 ARG 93 3HD ARG 93 -5.475 1.272 24.429 754 HE ARG 93 HE ARG 93 -7.017 2.747 23.591 755 HH11 ARG 93 1HH1 ARG 93 -6.634 0.093 21.371 756 HH12 ARG 93 2HH1 ARG 93 -7.968 0.565 20.372 757 HH21 ARG 93 1HH2 ARG 93 -8.776 3.380 22.283 758 HH22 ARG 93 2HH2 ARG 93 -9.185 2.436 20.891 759 H ILE 94 H ILE 94 -0.644 -0.792 23.819 760 HA ILE 94 HA ILE 94 -1.547 -3.388 24.707 761 HB ILE 94 HB ILE 94 0.626 -4.206 24.040 762 HG12 ILE 94 2HG1 ILE 94 1.354 -1.299 23.614 763 HG13 ILE 94 3HG1 ILE 94 1.986 -2.344 24.882 764 HG21 ILE 94 1HG2 ILE 94 0.092 -4.147 21.872 765 HG22 ILE 94 2HG2 ILE 94 -1.237 -3.096 22.357 766 HG23 ILE 94 3HG2 ILE 94 0.276 -2.395 21.785 767 HD11 ILE 94 3HD1 ILE 94 3.657 -2.272 23.255 768 HD12 ILE 94 1HD1 ILE 94 2.852 -3.821 23.005 769 HD13 ILE 94 2HD1 ILE 94 2.503 -2.463 21.935 770 H ASN 95 H ASN 95 0.276 -0.728 25.985 771 HA ASN 95 HA ASN 95 1.635 -2.117 28.045 772 HB2 ASN 95 2HB ASN 95 2.398 0.074 27.384 773 HB3 ASN 95 3HB ASN 95 0.838 0.788 27.783 774 HD21 ASN 95 1HD2 ASN 95 0.276 1.085 29.943 775 HD22 ASN 95 2HD2 ASN 95 1.456 1.053 31.205 776 H GLN 96 H GLN 96 -1.565 -0.729 27.776 777 HA GLN 96 HA GLN 96 -2.144 -1.001 30.588 778 HB2 GLN 96 2HB GLN 96 -4.461 -0.370 29.890 779 HB3 GLN 96 3HB GLN 96 -3.227 0.792 29.422 780 HG2 GLN 96 2HG GLN 96 -3.269 0.026 27.159 781 HG3 GLN 96 3HG GLN 96 -4.335 -1.313 27.583 782 HE21 GLN 96 1HE2 GLN 96 -4.315 2.181 28.221 783 HE22 GLN 96 2HE2 GLN 96 -5.928 2.463 27.670 784 H GLU 97 H GLU 97 -2.742 -2.804 27.636 785 HA GLU 97 HA GLU 97 -4.520 -4.683 28.899 786 HB2 GLU 97 2HB GLU 97 -3.158 -4.676 26.203 787 HB3 GLU 97 3HB GLU 97 -4.269 -5.932 26.731 788 HG2 GLU 97 2HG GLU 97 -5.163 -3.097 26.829 789 HG3 GLU 97 3HG GLU 97 -5.088 -3.918 25.271 790 H PHE 98 H PHE 98 -1.116 -4.375 28.408 791 HA PHE 98 HA PHE 98 -0.451 -7.132 28.711 792 HB2 PHE 98 2HB PHE 98 1.045 -4.560 28.648 793 HB3 PHE 98 3HB PHE 98 1.842 -5.941 29.393 794 HD1 PHE 98 HD1 PHE 98 -0.527 -6.389 26.650 795 HD2 PHE 98 HD2 PHE 98 3.577 -5.998 27.712 796 HE1 PHE 98 HE1 PHE 98 0.124 -7.210 24.423 797 HE2 PHE 98 HE2 PHE 98 4.234 -6.817 25.487 798 HZ PHE 98 HZ PHE 98 2.507 -7.423 23.839 799 HA PRO 99 HA PRO 99 -0.760 -7.619 33.068 800 HB2 PRO 99 2HB PRO 99 1.103 -9.556 33.455 801 HB3 PRO 99 3HB PRO 99 -0.463 -9.867 32.696 802 HG2 PRO 99 2HG PRO 99 2.209 -9.436 31.417 803 HG3 PRO 99 3HG PRO 99 0.958 -10.628 31.020 804 HD2 PRO 99 2HD PRO 99 1.301 -8.347 29.601 805 HD3 PRO 99 3HD PRO 99 -0.290 -9.104 29.821 806 H ARG 100 H ARG 100 0.500 -7.500 35.075 807 HA ARG 100 HA ARG 100 2.210 -5.293 35.147 808 HB2 ARG 100 2HB ARG 100 2.607 -5.865 37.473 809 HB3 ARG 100 3HB ARG 100 0.910 -6.105 37.082 810 HG2 ARG 100 2HG ARG 100 1.117 -8.437 37.107 811 HG3 ARG 100 3HG ARG 100 2.878 -8.365 37.022 812 HD2 ARG 100 2HD ARG 100 2.227 -8.955 39.260 813 HD3 ARG 100 3HD ARG 100 2.896 -7.324 39.269 814 HE ARG 100 HE ARG 100 0.155 -7.060 38.976 815 HH11 ARG 100 1HH1 ARG 100 2.384 -8.325 41.332 816 HH12 ARG 100 2HH1 ARG 100 1.351 -7.990 42.682 817 HH21 ARG 100 1HH2 ARG 100 -1.214 -6.613 40.744 818 HH22 ARG 100 2HH2 ARG 100 -0.696 -7.017 42.346 819 H ASP 101 H ASP 101 2.858 -8.614 34.503 820 HA ASP 101 HA ASP 101 5.645 -8.554 35.160 821 HB2 ASP 101 2HB ASP 101 4.521 -10.678 35.194 822 HB3 ASP 101 3HB ASP 101 3.984 -10.479 33.528 823 H LEU 102 H LEU 102 3.814 -8.464 32.111 824 HA LEU 102 HA LEU 102 6.113 -8.117 30.476 825 HB2 LEU 102 2HB LEU 102 3.186 -7.621 29.978 826 HB3 LEU 102 3HB LEU 102 4.428 -7.438 28.741 827 HG LEU 102 HG LEU 102 3.638 -9.990 30.143 828 HD11 LEU 102 1HD1 LEU 102 3.534 -9.890 27.242 829 HD12 LEU 102 2HD1 LEU 102 2.459 -8.716 28.002 830 HD13 LEU 102 3HD1 LEU 102 2.319 -10.428 28.403 831 HD21 LEU 102 3HD2 LEU 102 5.273 -10.560 27.959 832 HD22 LEU 102 1HD2 LEU 102 5.679 -10.730 29.667 833 HD23 LEU 102 2HD2 LEU 102 6.084 -9.244 28.808 834 H LYS 103 H LYS 103 4.060 -5.962 32.256 835 HA LYS 103 HA LYS 103 4.405 -3.555 30.956 836 HB2 LYS 103 2HB LYS 103 4.144 -4.256 33.865 837 HB3 LYS 103 3HB LYS 103 4.354 -2.584 33.362 838 HG2 LYS 103 2HG LYS 103 2.333 -3.490 31.724 839 HG3 LYS 103 3HG LYS 103 2.000 -4.278 33.268 840 HD2 LYS 103 2HD LYS 103 2.360 -1.951 34.299 841 HD3 LYS 103 3HD LYS 103 2.186 -1.345 32.650 842 HE2 LYS 103 2HE LYS 103 0.047 -1.237 33.720 843 HE3 LYS 103 3HE LYS 103 -0.002 -2.526 32.518 844 HZ1 LYS 103 3HZ LYS 103 0.819 -3.453 35.101 845 HZ2 LYS 103 1HZ LYS 103 -0.396 -4.040 34.080 846 HZ3 LYS 103 2HZ LYS 103 -0.722 -2.755 35.130 847 H LYS 104 H LYS 104 6.603 -5.178 33.199 848 HA LYS 104 HA LYS 104 8.512 -3.075 33.292 849 HB2 LYS 104 2HB LYS 104 8.676 -6.013 33.955 850 HB3 LYS 104 3HB LYS 104 10.035 -4.917 34.160 851 HG2 LYS 104 2HG LYS 104 8.920 -3.683 35.827 852 HG3 LYS 104 3HG LYS 104 7.367 -4.431 35.448 853 HD2 LYS 104 2HD LYS 104 7.962 -5.609 37.328 854 HD3 LYS 104 3HD LYS 104 8.640 -6.643 36.067 855 HE2 LYS 104 2HE LYS 104 10.439 -6.494 37.469 856 HE3 LYS 104 3HE LYS 104 10.753 -5.110 36.425 857 HZ1 LYS 104 3HZ LYS 104 9.934 -5.179 39.221 858 HZ2 LYS 104 1HZ LYS 104 9.280 -3.942 38.270 859 HZ3 LYS 104 2HZ LYS 104 10.958 -4.096 38.419 860 H LYS 105 H LYS 105 8.261 -6.056 31.392 861 HA LYS 105 HA LYS 105 10.718 -5.880 30.066 862 HB2 LYS 105 2HB LYS 105 8.168 -7.003 28.902 863 HB3 LYS 105 3HB LYS 105 9.817 -7.446 28.481 864 HG2 LYS 105 2HG LYS 105 9.677 -7.915 31.203 865 HG3 LYS 105 3HG LYS 105 8.109 -8.445 30.591 866 HD2 LYS 105 2HD LYS 105 9.238 -10.366 30.200 867 HD3 LYS 105 3HD LYS 105 9.716 -9.522 28.725 868 HE2 LYS 105 2HE LYS 105 11.844 -9.682 29.332 869 HE3 LYS 105 3HE LYS 105 11.499 -8.737 30.779 870 HZ1 LYS 105 3HZ LYS 105 12.500 -10.903 31.277 871 HZ2 LYS 105 1HZ LYS 105 11.178 -11.681 30.563 872 HZ3 LYS 105 2HZ LYS 105 10.959 -10.748 31.957 873 H LEU 106 H LEU 106 7.578 -4.456 29.322 874 HA LEU 106 HA LEU 106 8.468 -3.345 26.821 875 HB2 LEU 106 2HB LEU 106 6.157 -3.947 27.053 876 HB3 LEU 106 3HB LEU 106 5.986 -2.913 28.471 877 HG LEU 106 HG LEU 106 6.772 -1.623 25.913 878 HD11 LEU 106 1HD1 LEU 106 3.919 -2.393 26.484 879 HD12 LEU 106 2HD1 LEU 106 4.955 -3.244 25.339 880 HD13 LEU 106 3HD1 LEU 106 4.548 -1.549 25.069 881 HD21 LEU 106 3HD2 LEU 106 4.627 -0.588 27.648 882 HD22 LEU 106 1HD2 LEU 106 5.993 0.245 26.906 883 HD23 LEU 106 2HD2 LEU 106 6.228 -0.692 28.383 884 H SER 107 H SER 107 7.802 -2.112 30.076 885 HA SER 107 HA SER 107 8.161 0.594 29.643 886 HB2 SER 107 2HB SER 107 7.387 -0.110 31.781 887 HB3 SER 107 3HB SER 107 8.808 -1.122 32.042 888 HG SER 107 HG SER 107 8.719 1.034 33.109 889 H ARG 108 H ARG 108 10.607 -1.883 30.308 890 HA ARG 108 HA ARG 108 12.812 -0.110 30.380 891 HB2 ARG 108 2HB ARG 108 14.194 -2.097 30.229 892 HB3 ARG 108 3HB ARG 108 12.856 -2.391 31.331 893 HG2 ARG 108 2HG ARG 108 11.757 -3.785 29.807 894 HG3 ARG 108 3HG ARG 108 12.734 -3.216 28.452 895 HD2 ARG 108 2HD ARG 108 13.323 -5.501 29.296 896 HD3 ARG 108 3HD ARG 108 14.660 -4.353 29.261 897 HE ARG 108 HE ARG 108 13.398 -4.353 31.799 898 HH11 ARG 108 1HH1 ARG 108 15.556 -6.208 29.794 899 HH12 ARG 108 2HH1 ARG 108 16.372 -6.948 31.131 900 HH21 ARG 108 1HH2 ARG 108 14.465 -5.321 33.568 901 HH22 ARG 108 2HH2 ARG 108 15.750 -6.443 33.277 902 H VAL 109 H VAL 109 11.050 -1.610 27.798 903 HA VAL 109 HA VAL 109 13.071 -1.243 25.795 904 HB VAL 109 HB VAL 109 10.115 -1.810 25.543 905 HG11 VAL 109 1HG1 VAL 109 12.055 -1.019 23.559 906 HG12 VAL 109 2HG1 VAL 109 11.417 -2.629 23.220 907 HG13 VAL 109 3HG1 VAL 109 10.316 -1.262 23.396 908 HG21 VAL 109 3HG2 VAL 109 12.019 -3.851 24.706 909 HG22 VAL 109 1HG2 VAL 109 12.140 -3.450 26.419 910 HG23 VAL 109 2HG2 VAL 109 10.600 -3.983 25.745 911 H VAL 110 H VAL 110 10.245 0.545 26.901 912 HA VAL 110 HA VAL 110 10.117 2.434 24.828 913 HB VAL 110 HB VAL 110 9.346 2.775 27.729 914 HG11 VAL 110 1HG1 VAL 110 7.702 4.437 26.541 915 HG12 VAL 110 2HG1 VAL 110 9.338 4.943 26.968 916 HG13 VAL 110 3HG1 VAL 110 8.964 4.474 25.309 917 HG21 VAL 110 3HG2 VAL 110 7.478 2.190 25.458 918 HG22 VAL 110 1HG2 VAL 110 8.300 0.890 26.321 919 HG23 VAL 110 2HG2 VAL 110 7.221 1.981 27.190 920 H ASN 111 H ASN 111 12.065 2.290 27.748 921 HA ASN 111 HA ASN 111 13.023 4.952 27.662 922 HB2 ASN 111 2HB ASN 111 13.772 2.452 29.085 923 HB3 ASN 111 3HB ASN 111 15.000 3.711 28.981 924 HD21 ASN 111 1HD2 ASN 111 11.874 2.846 30.225 925 HD22 ASN 111 2HD2 ASN 111 11.741 4.145 31.357 926 H ILE 112 H ILE 112 14.055 1.968 26.147 927 HA ILE 112 HA ILE 112 16.626 2.590 25.361 928 HB ILE 112 HB ILE 112 14.557 1.095 23.746 929 HG12 ILE 112 2HG1 ILE 112 16.630 0.102 25.715 930 HG13 ILE 112 3HG1 ILE 112 14.893 0.165 25.998 931 HG21 ILE 112 1HG2 ILE 112 16.490 0.024 22.668 932 HG22 ILE 112 2HG2 ILE 112 16.437 1.760 22.369 933 HG23 ILE 112 3HG2 ILE 112 17.566 1.104 23.554 934 HD11 ILE 112 3HD1 ILE 112 16.465 -1.668 24.255 935 HD12 ILE 112 1HD1 ILE 112 15.209 -2.036 25.438 936 HD13 ILE 112 2HD1 ILE 112 14.774 -1.335 23.879 937 H LEU 113 H LEU 113 13.577 3.667 23.994 938 HA LEU 113 HA LEU 113 14.508 4.734 21.585 939 HB2 LEU 113 2HB LEU 113 12.202 5.433 23.371 940 HB3 LEU 113 3HB LEU 113 12.516 6.326 21.884 941 HG LEU 113 HG LEU 113 10.812 4.694 21.465 942 HD11 LEU 113 1HD1 LEU 113 13.012 5.002 19.942 943 HD12 LEU 113 2HD1 LEU 113 11.634 4.000 19.488 944 HD13 LEU 113 3HD1 LEU 113 13.060 3.261 20.216 945 HD21 LEU 113 3HD2 LEU 113 11.049 2.363 21.877 946 HD22 LEU 113 1HD2 LEU 113 11.473 3.201 23.370 947 HD23 LEU 113 2HD2 LEU 113 12.743 2.551 22.332 948 H LYS 114 H LYS 114 14.577 6.003 24.846 949 HA LYS 114 HA LYS 114 15.243 8.677 24.168 950 HB2 LYS 114 2HB LYS 114 15.993 7.278 26.732 951 HB3 LYS 114 3HB LYS 114 15.698 8.994 26.483 952 HG2 LYS 114 2HG LYS 114 13.310 8.098 25.768 953 HG3 LYS 114 3HG LYS 114 13.777 6.764 26.824 954 HD2 LYS 114 2HD LYS 114 14.387 8.586 28.526 955 HD3 LYS 114 3HD LYS 114 13.449 9.672 27.498 956 HE2 LYS 114 2HE LYS 114 12.440 7.130 28.774 957 HE3 LYS 114 3HE LYS 114 12.099 8.768 29.330 958 HZ1 LYS 114 3HZ LYS 114 10.254 8.294 28.076 959 HZ2 LYS 114 1HZ LYS 114 11.106 7.377 26.938 960 HZ3 LYS 114 2HZ LYS 114 11.223 9.064 26.924 961 H GLU 115 H GLU 115 17.100 5.751 24.590 962 HA GLU 115 HA GLU 115 19.647 7.053 24.742 963 HB2 GLU 115 2HB GLU 115 19.627 4.931 25.720 964 HB3 GLU 115 3HB GLU 115 18.743 4.216 24.380 965 HG2 GLU 115 2HG GLU 115 20.604 3.796 23.200 966 HG3 GLU 115 3HG GLU 115 21.383 5.298 23.692 967 H ARG 116 H ARG 116 17.972 5.206 22.197 968 HA ARG 116 HA ARG 116 19.953 5.765 20.222 969 HB2 ARG 116 2HB ARG 116 17.103 4.910 19.721 970 HB3 ARG 116 3HB ARG 116 18.497 4.664 18.678 971 HG2 ARG 116 2HG ARG 116 17.978 3.354 21.338 972 HG3 ARG 116 3HG ARG 116 17.925 2.593 19.746 973 HD2 ARG 116 2HD ARG 116 20.335 3.151 19.471 974 HD3 ARG 116 3HD ARG 116 20.343 3.741 21.133 975 HE ARG 116 HE ARG 116 19.402 1.235 21.409 976 HH11 ARG 116 1HH1 ARG 116 22.170 2.540 19.748 977 HH12 ARG 116 2HH1 ARG 116 23.134 1.117 19.965 978 HH21 ARG 116 1HH2 ARG 116 20.663 -0.643 21.702 979 HH22 ARG 116 2HH2 ARG 116 22.276 -0.693 21.076 980 H ASN 117 H ASN 117 17.339 7.529 21.506 981 HA ASN 117 HA ASN 117 16.418 9.547 21.008 982 HB2 ASN 117 2HB ASN 117 18.774 9.890 19.144 983 HB3 ASN 117 3HB ASN 117 17.783 11.168 19.841 984 HD21 ASN 117 1HD2 ASN 117 20.702 9.930 20.024 985 HD22 ASN 117 2HD2 ASN 117 21.052 10.130 21.704 986 H ILE 118 H ILE 118 15.278 7.468 19.683 987 HA ILE 118 HA ILE 118 15.149 7.831 16.865 988 HB ILE 118 HB ILE 118 13.091 6.496 18.623 989 HG12 ILE 118 2HG1 ILE 118 15.383 5.609 19.005 990 HG13 ILE 118 3HG1 ILE 118 14.302 4.424 18.281 991 HG21 ILE 118 1HG2 ILE 118 12.374 6.971 16.324 992 HG22 ILE 118 2HG2 ILE 118 13.775 6.091 15.715 993 HG23 ILE 118 3HG2 ILE 118 12.526 5.240 16.623 994 HD11 ILE 118 3HD1 ILE 118 16.064 6.080 16.538 995 HD12 ILE 118 1HD1 ILE 118 16.722 4.688 17.397 996 HD13 ILE 118 2HD1 ILE 118 15.392 4.474 16.258 997 H PHE 119 H PHE 119 12.518 8.263 19.232 998 HA PHE 119 HA PHE 119 11.282 10.221 17.469 999 HB2 PHE 119 2HB PHE 119 10.211 9.295 20.130 1000 HB3 PHE 119 3HB PHE 119 9.318 9.967 18.770 1001 HD1 PHE 119 HD2 PHE 119 9.520 8.560 16.540 1002 HD2 PHE 119 HD1 PHE 119 10.144 7.028 20.461 1003 HE1 PHE 119 HE2 PHE 119 9.054 6.287 15.722 1004 HE2 PHE 119 HE1 PHE 119 9.681 4.752 19.650 1005 HZ PHE 119 HZ PHE 119 9.134 4.379 17.277 1006 H SER 120 H SER 120 10.363 12.222 18.452 1007 HA SER 120 HA SER 120 12.417 13.505 20.081 1008 HB2 SER 120 2HB SER 120 10.290 14.468 18.218 1009 HB3 SER 120 3HB SER 120 10.857 15.563 19.479 1010 HG SER 120 HG SER 120 12.068 14.825 17.175 1011 H LYS 121 H LYS 121 11.356 15.381 21.497 1012 HA LYS 121 HA LYS 121 10.129 14.111 23.679 1013 HB2 LYS 121 2HB LYS 121 11.455 16.403 23.432 1014 HB3 LYS 121 3HB LYS 121 9.825 17.056 23.329 1015 HG2 LYS 121 2HG LYS 121 10.151 17.202 25.571 1016 HG3 LYS 121 3HG LYS 121 9.474 15.573 25.486 1017 HD2 LYS 121 2HD LYS 121 11.982 14.872 25.207 1018 HD3 LYS 121 3HD LYS 121 12.294 16.440 25.955 1019 HE2 LYS 121 2HE LYS 121 10.319 14.571 27.192 1020 HE3 LYS 121 3HE LYS 121 12.045 14.302 27.433 1021 HZ1 LYS 121 3HZ LYS 121 11.579 15.649 29.193 1022 HZ2 LYS 121 1HZ LYS 121 10.354 16.495 28.388 1023 HZ3 LYS 121 2HZ LYS 121 11.977 16.830 28.048 1024 H GLN 122 H GLN 122 8.813 15.729 20.892 1025 HA GLN 122 HA GLN 122 6.221 16.242 21.845 1026 HB2 GLN 122 2HB GLN 122 7.345 15.786 19.093 1027 HB3 GLN 122 3HB GLN 122 5.626 16.056 19.343 1028 HG2 GLN 122 2HG GLN 122 7.803 17.945 20.208 1029 HG3 GLN 122 3HG GLN 122 6.863 18.096 18.724 1030 HE21 GLN 122 1HE2 GLN 122 4.360 17.663 19.388 1031 HE22 GLN 122 2HE2 GLN 122 3.808 18.765 20.599 1032 H VAL 123 H VAL 123 7.625 13.397 20.281 1033 HA VAL 123 HA VAL 123 5.140 11.952 20.260 1034 HB VAL 123 HB VAL 123 7.924 10.845 19.886 1035 HG11 VAL 123 1HG1 VAL 123 6.552 9.220 18.428 1036 HG12 VAL 123 2HG1 VAL 123 6.501 9.027 20.181 1037 HG13 VAL 123 3HG1 VAL 123 5.165 9.813 19.339 1038 HG21 VAL 123 3HG2 VAL 123 6.138 12.367 18.059 1039 HG22 VAL 123 1HG2 VAL 123 7.898 12.369 18.184 1040 HG23 VAL 123 2HG2 VAL 123 7.072 11.029 17.390 1041 H VAL 124 H VAL 124 8.147 11.785 22.146 1042 HA VAL 124 HA VAL 124 7.515 9.615 23.763 1043 HB VAL 124 HB VAL 124 9.116 12.062 24.526 1044 HG11 VAL 124 1HG1 VAL 124 10.181 10.610 26.176 1045 HG12 VAL 124 2HG1 VAL 124 8.446 10.742 26.470 1046 HG13 VAL 124 3HG1 VAL 124 9.106 9.290 25.717 1047 HG21 VAL 124 3HG2 VAL 124 10.640 9.696 23.911 1048 HG22 VAL 124 1HG2 VAL 124 9.614 10.151 22.550 1049 HG23 VAL 124 2HG2 VAL 124 10.757 11.315 23.222 1050 H ASN 125 H ASN 125 6.797 13.057 24.235 1051 HA ASN 125 HA ASN 125 5.673 12.895 26.781 1052 HB2 ASN 125 2HB ASN 125 5.536 14.804 24.518 1053 HB3 ASN 125 3HB ASN 125 4.236 14.911 25.702 1054 HD21 ASN 125 1HD2 ASN 125 7.652 14.095 26.114 1055 HD22 ASN 125 2HD2 ASN 125 8.010 15.390 27.201 1056 H ASP 126 H ASP 126 4.407 11.972 23.691 1057 HA ASP 126 HA ASP 126 1.655 11.907 24.479 1058 HB2 ASP 126 2HB ASP 126 2.606 12.078 22.094 1059 HB3 ASP 126 3HB ASP 126 2.841 10.335 22.200 1060 H ILE 127 H ILE 127 4.200 9.463 24.091 1061 HA ILE 127 HA ILE 127 2.704 7.194 24.668 1062 HB ILE 127 HB ILE 127 5.595 7.724 25.364 1063 HG12 ILE 127 2HG1 ILE 127 4.729 6.067 23.041 1064 HG13 ILE 127 3HG1 ILE 127 4.603 7.817 22.896 1065 HG21 ILE 127 1HG2 ILE 127 5.122 5.842 26.601 1066 HG22 ILE 127 2HG2 ILE 127 3.901 5.271 25.465 1067 HG23 ILE 127 3HG2 ILE 127 5.612 5.129 25.064 1068 HD11 ILE 127 3HD1 ILE 127 6.777 8.013 22.539 1069 HD12 ILE 127 1HD1 ILE 127 7.166 7.044 23.960 1070 HD13 ILE 127 2HD1 ILE 127 6.840 6.255 22.416 1071 H GLU 128 H GLU 128 4.587 9.223 26.913 1072 HA GLU 128 HA GLU 128 4.047 7.855 29.260 1073 HB2 GLU 128 2HB GLU 128 4.423 10.821 28.824 1074 HB3 GLU 128 3HB GLU 128 4.425 10.048 30.403 1075 HG2 GLU 128 2HG GLU 128 6.313 9.204 28.235 1076 HG3 GLU 128 3HG GLU 128 6.674 10.551 29.313 1077 H ARG 129 H ARG 129 2.240 10.591 27.870 1078 HA ARG 129 HA ARG 129 0.256 10.783 29.801 1079 HB2 ARG 129 2HB ARG 129 0.055 11.292 26.827 1080 HB3 ARG 129 3HB ARG 129 -1.131 11.815 28.015 1081 HG2 ARG 129 2HG ARG 129 1.704 12.624 28.394 1082 HG3 ARG 129 3HG ARG 129 0.749 13.431 27.149 1083 HD2 ARG 129 2HD ARG 129 -0.225 13.131 29.976 1084 HD3 ARG 129 3HD ARG 129 0.779 14.489 29.468 1085 HE ARG 129 HE ARG 129 -1.511 14.127 27.794 1086 HH11 ARG 129 1HH1 ARG 129 -0.394 15.482 30.800 1087 HH12 ARG 129 2HH1 ARG 129 -1.642 16.682 30.874 1088 HH21 ARG 129 1HH2 ARG 129 -3.159 15.702 27.880 1089 HH22 ARG 129 2HH2 ARG 129 -3.214 16.805 29.213 1090 H SER 130 H SER 130 0.474 8.660 26.992 1091 HA SER 130 HA SER 130 -2.108 7.624 26.995 1092 HB2 SER 130 2HB SER 130 -0.035 7.228 25.396 1093 HB3 SER 130 3HB SER 130 0.189 5.802 26.408 1094 HG SER 130 HG SER 130 -2.171 5.468 25.941 1095 H LEU 131 H LEU 131 0.756 6.557 28.792 1096 HA LEU 131 HA LEU 131 -0.531 4.346 30.034 1097 HB2 LEU 131 2HB LEU 131 1.838 5.781 31.179 1098 HB3 LEU 131 3HB LEU 131 1.433 4.068 31.273 1099 HG LEU 131 HG LEU 131 2.482 5.558 28.870 1100 HD11 LEU 131 1HD1 LEU 131 3.654 3.774 30.920 1101 HD12 LEU 131 2HD1 LEU 131 4.375 5.119 30.037 1102 HD13 LEU 131 3HD1 LEU 131 4.187 3.549 29.254 1103 HD21 LEU 131 3HD2 LEU 131 1.518 4.012 27.602 1104 HD22 LEU 131 1HD2 LEU 131 0.896 3.168 29.021 1105 HD23 LEU 131 2HD2 LEU 131 2.508 2.795 28.411 1106 H ALA 132 H ALA 132 0.010 7.706 30.949 1107 HA ALA 132 HA ALA 132 -0.710 7.631 33.620 1108 HB1 ALA 132 1HB ALA 132 0.125 9.669 32.919 1109 HB2 ALA 132 2HB ALA 132 -0.932 9.735 31.508 1110 HB3 ALA 132 3HB ALA 132 -1.592 10.020 33.119 1111 H ALA 133 H ALA 133 -2.746 7.617 30.757 1112 HA ALA 133 HA ALA 133 -5.208 8.082 32.082 1113 HB1 ALA 133 1HB ALA 133 -4.404 7.909 29.463 1114 HB2 ALA 133 2HB ALA 133 -5.397 6.465 29.665 1115 HB3 ALA 133 3HB ALA 133 -6.071 8.055 30.022 1116 H ALA 134 H ALA 134 -3.496 5.130 31.131 1117 HA ALA 134 HA ALA 134 -5.542 3.365 32.053 1118 HB1 ALA 134 1HB ALA 134 -4.087 1.605 31.497 1119 HB2 ALA 134 2HB ALA 134 -3.762 2.867 30.308 1120 HB3 ALA 134 3HB ALA 134 -2.657 2.625 31.661 1121 H LEU 135 H LEU 135 -2.940 5.047 33.555 1122 HA LEU 135 HA LEU 135 -2.390 3.380 35.731 1123 HB2 LEU 135 2HB LEU 135 -1.232 5.544 34.952 1124 HB3 LEU 135 3HB LEU 135 -2.435 6.371 35.939 1125 HG LEU 135 HG LEU 135 -1.595 5.003 37.890 1126 HD11 LEU 135 1HD1 LEU 135 -0.441 3.215 36.968 1127 HD12 LEU 135 2HD1 LEU 135 0.851 4.284 37.511 1128 HD13 LEU 135 3HD1 LEU 135 0.409 4.232 35.805 1129 HD21 LEU 135 3HD2 LEU 135 -0.448 6.830 38.422 1130 HD22 LEU 135 1HD2 LEU 135 -0.671 7.379 36.760 1131 HD23 LEU 135 2HD2 LEU 135 0.782 6.483 37.205 1132 H GLU 136 H GLU 136 -5.053 5.540 35.108 1133 HA GLU 136 HA GLU 136 -6.076 5.128 37.827 1134 HB2 GLU 136 2HB GLU 136 -5.964 7.454 36.991 1135 HB3 GLU 136 3HB GLU 136 -7.048 7.019 35.678 1136 HG2 GLU 136 2HG GLU 136 -8.875 6.808 37.075 1137 HG3 GLU 136 3HG GLU 136 -7.878 6.576 38.510 1138 H HIS 137 H HIS 137 -7.862 3.950 38.229 1139 HA HIS 137 HA HIS 137 -8.968 2.398 36.039 1140 HB2 HIS 137 2HB HIS 137 -8.380 1.225 38.090 1141 HB3 HIS 137 3HB HIS 137 -9.449 2.269 39.023 1142 HD1 HIS 137 HD1 HIS 137 -11.352 0.862 39.735 1143 HD2 HIS 137 HD2 HIS 137 -10.286 0.134 35.786 1144 HE1 HIS 137 HE1 HIS 137 -13.045 -0.786 38.874 1145 H HIS 138 H HIS 138 -10.278 4.402 38.683 1146 HA HIS 138 HA HIS 138 -12.929 4.430 37.819 1147 HB2 HIS 138 2HB HIS 138 -12.081 5.223 40.047 1148 HB3 HIS 138 3HB HIS 138 -11.516 6.688 39.250 1149 HD1 HIS 138 HD1 HIS 138 -13.251 7.739 41.090 1150 HD2 HIS 138 HD2 HIS 138 -14.900 5.727 37.850 1151 HE1 HIS 138 HE1 HIS 138 -15.649 8.490 40.981 Start of MODEL 2 1 H ALA 2 H ALA 2 8.638 -3.759 -5.376 2 HA ALA 2 HA ALA 2 5.746 -3.265 -5.123 3 HB1 ALA 2 1HB ALA 2 6.833 -5.741 -6.425 4 HB2 ALA 2 2HB ALA 2 5.196 -5.088 -6.482 5 HB3 ALA 2 3HB ALA 2 6.499 -4.276 -7.350 6 H PHE 3 H PHE 3 4.849 -4.095 -3.348 7 HA PHE 3 HA PHE 3 6.142 -6.361 -2.011 8 HB2 PHE 3 2HB PHE 3 6.124 -5.319 0.126 9 HB3 PHE 3 3HB PHE 3 6.856 -4.157 -0.976 10 HD1 PHE 3 HD2 PHE 3 5.008 -2.567 -2.138 11 HD2 PHE 3 HD1 PHE 3 4.645 -4.477 1.649 12 HE1 PHE 3 HE2 PHE 3 3.363 -0.873 -1.445 13 HE2 PHE 3 HE1 PHE 3 2.999 -2.786 2.347 14 HZ PHE 3 HZ PHE 3 2.357 -0.981 0.800 15 H SER 4 H SER 4 4.644 -6.969 -0.015 16 HA SER 4 HA SER 4 1.827 -6.763 -0.811 17 HB2 SER 4 2HB SER 4 3.235 -8.995 -1.425 18 HB3 SER 4 3HB SER 4 2.680 -9.413 0.196 19 HG SER 4 HG SER 4 1.266 -9.921 -1.700 20 H SER 5 H SER 5 0.765 -5.940 0.853 21 HA SER 5 HA SER 5 1.745 -5.707 3.454 22 HB2 SER 5 2HB SER 5 -0.552 -5.051 4.074 23 HB3 SER 5 3HB SER 5 -0.037 -4.270 2.579 24 HG SER 5 HG SER 5 -2.060 -6.065 3.014 25 H GLU 6 H GLU 6 0.170 -8.338 1.886 26 HA GLU 6 HA GLU 6 -0.916 -9.659 4.124 27 HB2 GLU 6 2HB GLU 6 -1.124 -11.569 2.725 28 HB3 GLU 6 3HB GLU 6 -1.383 -10.167 1.697 29 HG2 GLU 6 2HG GLU 6 0.974 -10.340 0.953 30 HG3 GLU 6 3HG GLU 6 1.119 -11.825 1.891 31 H GLN 7 H GLN 7 2.313 -9.517 2.804 32 HA GLN 7 HA GLN 7 3.389 -11.748 4.168 33 HB2 GLN 7 2HB GLN 7 4.446 -9.430 2.674 34 HB3 GLN 7 3HB GLN 7 5.542 -10.127 3.860 35 HG2 GLN 7 2HG GLN 7 4.143 -11.836 1.838 36 HG3 GLN 7 3HG GLN 7 5.641 -10.990 1.455 37 HE21 GLN 7 1HE2 GLN 7 5.858 -13.549 1.182 38 HE22 GLN 7 2HE2 GLN 7 6.669 -14.306 2.506 39 H PHE 8 H PHE 8 3.441 -8.270 4.924 40 HA PHE 8 HA PHE 8 4.858 -8.432 7.320 41 HB2 PHE 8 2HB PHE 8 4.360 -6.319 6.124 42 HB3 PHE 8 3HB PHE 8 2.675 -6.460 6.614 43 HD1 PHE 8 HD1 PHE 8 5.960 -6.792 8.359 44 HD2 PHE 8 HD2 PHE 8 2.118 -4.964 8.250 45 HE1 PHE 8 HE1 PHE 8 6.473 -5.598 10.448 46 HE2 PHE 8 HE2 PHE 8 2.625 -3.766 10.338 47 HZ PHE 8 HZ PHE 8 4.805 -4.081 11.440 48 H THR 9 H THR 9 1.394 -8.722 6.687 49 HA THR 9 HA THR 9 0.643 -8.914 9.430 50 HB THR 9 HB THR 9 -1.060 -10.124 7.299 51 HG1 THR 9 HG1 THR 9 -1.260 -8.300 6.237 52 HG21 THR 9 3HG2 THR 9 -1.865 -10.021 9.603 53 HG22 THR 9 1HG2 THR 9 -2.832 -8.981 8.558 54 HG23 THR 9 2HG2 THR 9 -1.616 -8.275 9.623 55 H THR 10 H THR 10 0.891 -11.336 6.826 56 HA THR 10 HA THR 10 0.274 -13.586 8.344 57 HB THR 10 HB THR 10 2.157 -13.416 5.983 58 HG1 THR 10 HG1 THR 10 0.285 -13.933 4.794 59 HG21 THR 10 3HG2 THR 10 2.575 -15.528 6.819 60 HG22 THR 10 1HG2 THR 10 1.221 -15.848 5.735 61 HG23 THR 10 2HG2 THR 10 0.947 -15.708 7.472 62 H LYS 11 H LYS 11 3.304 -11.854 7.974 63 HA LYS 11 HA LYS 11 4.895 -13.833 9.299 64 HB2 LYS 11 2HB LYS 11 5.341 -11.019 8.373 65 HB3 LYS 11 3HB LYS 11 6.500 -11.767 9.465 66 HG2 LYS 11 2HG LYS 11 6.583 -13.681 7.772 67 HG3 LYS 11 3HG LYS 11 5.777 -12.563 6.668 68 HD2 LYS 11 2HD LYS 11 8.046 -12.271 6.202 69 HD3 LYS 11 3HD LYS 11 7.661 -10.924 7.276 70 HE2 LYS 11 2HE LYS 11 9.712 -11.826 8.040 71 HE3 LYS 11 3HE LYS 11 8.478 -12.363 9.179 72 HZ1 LYS 11 3HZ LYS 11 9.950 -14.172 8.623 73 HZ2 LYS 11 1HZ LYS 11 9.641 -13.974 6.971 74 HZ3 LYS 11 2HZ LYS 11 8.408 -14.494 8.006 75 H LEU 12 H LEU 12 3.534 -10.688 10.241 76 HA LEU 12 HA LEU 12 4.536 -10.528 12.817 77 HB2 LEU 12 2HB LEU 12 2.035 -9.523 11.524 78 HB3 LEU 12 3HB LEU 12 2.285 -9.295 13.253 79 HG LEU 12 HG LEU 12 4.223 -8.322 11.162 80 HD11 LEU 12 1HD1 LEU 12 2.539 -6.924 10.608 81 HD12 LEU 12 2HD1 LEU 12 3.069 -6.075 12.059 82 HD13 LEU 12 3HD1 LEU 12 1.686 -7.167 12.132 83 HD21 LEU 12 3HD2 LEU 12 4.221 -6.805 13.550 84 HD22 LEU 12 1HD2 LEU 12 5.500 -7.836 12.908 85 HD23 LEU 12 2HD2 LEU 12 4.291 -8.509 14.002 86 H ASN 13 H ASN 13 1.734 -12.290 11.609 87 HA ASN 13 HA ASN 13 0.808 -13.078 14.198 88 HB2 ASN 13 2HB ASN 13 0.132 -13.868 11.381 89 HB3 ASN 13 3HB ASN 13 -0.497 -14.799 12.738 90 HD21 ASN 13 1HD2 ASN 13 -1.420 -12.627 10.635 91 HD22 ASN 13 2HD2 ASN 13 -2.492 -11.659 11.582 92 H THR 14 H THR 14 3.015 -14.381 11.834 93 HA THR 14 HA THR 14 3.283 -16.865 13.370 94 HB THR 14 HB THR 14 4.718 -17.612 11.447 95 HG1 THR 14 HG1 THR 14 5.122 -16.263 9.854 96 HG21 THR 14 3HG2 THR 14 1.869 -16.777 10.914 97 HG22 THR 14 1HG2 THR 14 2.441 -18.340 11.495 98 HG23 THR 14 2HG2 THR 14 2.794 -17.830 9.844 99 H LEU 15 H LEU 15 4.360 -14.112 14.069 100 HA LEU 15 HA LEU 15 7.220 -14.387 13.877 101 HB2 LEU 15 2HB LEU 15 5.309 -12.381 14.849 102 HB3 LEU 15 3HB LEU 15 6.824 -12.452 15.745 103 HG LEU 15 HG LEU 15 6.547 -11.972 12.779 104 HD11 LEU 15 1HD1 LEU 15 5.897 -10.168 14.566 105 HD12 LEU 15 2HD1 LEU 15 6.864 -9.735 13.156 106 HD13 LEU 15 3HD1 LEU 15 7.646 -9.995 14.715 107 HD21 LEU 15 3HD2 LEU 15 8.629 -12.838 12.798 108 HD22 LEU 15 1HD2 LEU 15 8.838 -12.583 14.530 109 HD23 LEU 15 2HD2 LEU 15 9.060 -11.240 13.409 110 H GLU 16 H GLU 16 8.663 -14.778 15.566 111 HA GLU 16 HA GLU 16 7.493 -15.846 18.045 112 HB2 GLU 16 2HB GLU 16 9.310 -17.171 16.113 113 HB3 GLU 16 3HB GLU 16 9.675 -17.405 17.817 114 HG2 GLU 16 2HG GLU 16 7.196 -18.048 18.042 115 HG3 GLU 16 3HG GLU 16 7.238 -18.219 16.288 116 H ASP 17 H ASP 17 9.240 -16.132 19.764 117 HA ASP 17 HA ASP 17 10.671 -13.624 19.970 118 HB2 ASP 17 2HB ASP 17 11.240 -14.512 22.277 119 HB3 ASP 17 3HB ASP 17 9.525 -14.283 21.947 120 H SER 18 H SER 18 12.309 -13.870 18.416 121 HA SER 18 HA SER 18 14.608 -15.361 19.381 122 HB2 SER 18 2HB SER 18 14.033 -17.084 17.983 123 HB3 SER 18 3HB SER 18 13.114 -16.039 16.899 124 HG SER 18 HG SER 18 15.484 -16.967 16.463 125 H GLN 19 H GLN 19 16.570 -14.513 18.721 126 HA GLN 19 HA GLN 19 16.628 -11.786 18.059 127 HB2 GLN 19 2HB GLN 19 18.720 -13.935 18.176 128 HB3 GLN 19 3HB GLN 19 19.127 -12.325 17.597 129 HG2 GLN 19 2HG GLN 19 17.706 -12.582 20.194 130 HG3 GLN 19 3HG GLN 19 19.418 -12.996 20.119 131 HE21 GLN 19 1HE2 GLN 19 17.073 -10.445 19.559 132 HE22 GLN 19 2HE2 GLN 19 18.182 -9.131 19.726 133 H GLU 20 H GLU 20 17.038 -14.686 16.097 134 HA GLU 20 HA GLU 20 17.765 -13.254 13.725 135 HB2 GLU 20 2HB GLU 20 18.259 -15.724 14.354 136 HB3 GLU 20 3HB GLU 20 16.644 -16.039 13.735 137 HG2 GLU 20 2HG GLU 20 18.211 -16.469 11.996 138 HG3 GLU 20 3HG GLU 20 17.322 -15.003 11.587 139 H SER 21 H SER 21 14.790 -14.509 15.100 140 HA SER 21 HA SER 21 13.148 -14.276 12.835 141 HB2 SER 21 2HB SER 21 12.546 -14.176 15.791 142 HB3 SER 21 3HB SER 21 11.280 -14.085 14.567 143 HG SER 21 HG SER 21 11.446 -16.155 14.300 144 H ILE 22 H ILE 22 13.716 -11.995 15.507 145 HA ILE 22 HA ILE 22 12.054 -9.947 14.540 146 HB ILE 22 HB ILE 22 14.516 -9.714 16.275 147 HG12 ILE 22 2HG1 ILE 22 12.729 -11.195 17.168 148 HG13 ILE 22 3HG1 ILE 22 12.979 -9.756 18.150 149 HG21 ILE 22 1HG2 ILE 22 13.254 -7.612 17.050 150 HG22 ILE 22 2HG2 ILE 22 14.122 -7.548 15.517 151 HG23 ILE 22 3HG2 ILE 22 12.371 -7.758 15.531 152 HD11 ILE 22 3HD1 ILE 22 10.839 -9.257 17.972 153 HD12 ILE 22 1HD1 ILE 22 10.986 -9.176 16.217 154 HD13 ILE 22 2HD1 ILE 22 10.586 -10.706 16.998 155 H SER 23 H SER 23 15.411 -10.754 13.887 156 HA SER 23 HA SER 23 16.004 -8.346 12.472 157 HB2 SER 23 2HB SER 23 17.656 -9.996 13.572 158 HB3 SER 23 3HB SER 23 17.472 -10.950 12.100 159 HG SER 23 HG SER 23 19.191 -9.590 11.786 160 H SER 24 H SER 24 14.972 -11.591 11.543 161 HA SER 24 HA SER 24 15.282 -11.439 8.796 162 HB2 SER 24 2HB SER 24 14.643 -13.510 9.910 163 HB3 SER 24 3HB SER 24 13.089 -12.814 10.367 164 HG SER 24 HG SER 24 14.000 -13.265 7.715 165 H ALA 25 H ALA 25 12.445 -10.508 10.731 166 HA ALA 25 HA ALA 25 11.037 -9.461 8.463 167 HB1 ALA 25 1HB ALA 25 9.604 -10.233 10.109 168 HB2 ALA 25 2HB ALA 25 10.541 -9.502 11.412 169 HB3 ALA 25 3HB ALA 25 9.559 -8.487 10.355 170 H SER 26 H SER 26 12.944 -8.103 11.105 171 HA SER 26 HA SER 26 12.395 -5.409 10.774 172 HB2 SER 26 2HB SER 26 14.811 -6.905 11.738 173 HB3 SER 26 3HB SER 26 14.875 -5.151 11.570 174 HG SER 26 HG SER 26 13.646 -6.670 13.466 175 H LYS 27 H LYS 27 14.988 -7.306 9.238 176 HA LYS 27 HA LYS 27 16.058 -5.258 7.673 177 HB2 LYS 27 2HB LYS 27 15.957 -8.242 7.230 178 HB3 LYS 27 3HB LYS 27 16.864 -7.148 6.193 179 HG2 LYS 27 2HG LYS 27 18.473 -6.777 7.752 180 HG3 LYS 27 3HG LYS 27 17.367 -6.996 9.110 181 HD2 LYS 27 2HD LYS 27 18.674 -8.895 9.254 182 HD3 LYS 27 3HD LYS 27 17.304 -9.473 8.303 183 HE2 LYS 27 2HE LYS 27 19.697 -8.347 6.916 184 HE3 LYS 27 3HE LYS 27 19.753 -9.992 7.548 185 HZ1 LYS 27 3HZ LYS 27 18.320 -8.940 5.272 186 HZ2 LYS 27 1HZ LYS 27 17.405 -9.974 6.250 187 HZ3 LYS 27 2HZ LYS 27 18.860 -10.514 5.580 188 H TRP 28 H TRP 28 13.427 -7.523 6.999 189 HA TRP 28 HA TRP 28 12.999 -6.919 4.317 190 HB2 TRP 28 2HB TRP 28 11.909 -8.778 5.569 191 HB3 TRP 28 3HB TRP 28 10.878 -7.593 6.366 192 HD1 TRP 28 HD1 TRP 28 11.743 -8.248 2.625 193 HE1 TRP 28 HE1 TRP 28 9.535 -8.266 1.304 194 HE3 TRP 28 HE3 TRP 28 8.485 -7.440 6.481 195 HZ2 TRP 28 HZ2 TRP 28 6.776 -7.976 1.827 196 HZ3 TRP 28 HZ3 TRP 28 6.078 -7.323 5.985 197 HH2 TRP 28 HH2 TRP 28 5.243 -7.586 3.706 198 H LEU 29 H LEU 29 11.422 -5.485 7.175 199 HA LEU 29 HA LEU 29 9.964 -3.554 5.706 200 HB2 LEU 29 2HB LEU 29 10.775 -3.680 8.603 201 HB3 LEU 29 3HB LEU 29 9.718 -2.436 7.940 202 HG LEU 29 HG LEU 29 8.913 -5.250 7.486 203 HD11 LEU 29 1HD1 LEU 29 8.147 -4.120 10.109 204 HD12 LEU 29 2HD1 LEU 29 9.777 -4.778 9.967 205 HD13 LEU 29 3HD1 LEU 29 8.381 -5.798 9.617 206 HD21 LEU 29 3HD2 LEU 29 7.291 -2.921 8.469 207 HD22 LEU 29 1HD2 LEU 29 6.743 -4.365 7.616 208 HD23 LEU 29 2HD2 LEU 29 7.684 -3.140 6.763 209 H LEU 30 H LEU 30 13.185 -3.623 7.043 210 HA LEU 30 HA LEU 30 13.812 -0.934 7.166 211 HB2 LEU 30 2HB LEU 30 15.238 -3.427 7.054 212 HB3 LEU 30 3HB LEU 30 16.074 -2.206 6.097 213 HG LEU 30 HG LEU 30 16.331 -0.787 8.004 214 HD11 LEU 30 1HD1 LEU 30 15.451 -2.229 10.203 215 HD12 LEU 30 2HD1 LEU 30 14.135 -2.359 9.037 216 HD13 LEU 30 3HD1 LEU 30 14.719 -0.771 9.533 217 HD21 LEU 30 3HD2 LEU 30 16.939 -3.594 8.913 218 HD22 LEU 30 1HD2 LEU 30 17.779 -2.109 9.359 219 HD23 LEU 30 2HD2 LEU 30 17.891 -2.723 7.710 220 H LEU 31 H LEU 31 13.851 -3.095 4.363 221 HA LEU 31 HA LEU 31 14.613 -0.890 2.614 222 HB2 LEU 31 2HB LEU 31 13.985 -3.710 1.791 223 HB3 LEU 31 3HB LEU 31 14.928 -2.505 0.917 224 HG LEU 31 HG LEU 31 15.814 -3.731 3.522 225 HD11 LEU 31 1HD1 LEU 31 17.105 -5.298 2.339 226 HD12 LEU 31 2HD1 LEU 31 16.792 -4.512 0.792 227 HD13 LEU 31 3HD1 LEU 31 15.498 -5.380 1.618 228 HD21 LEU 31 3HD2 LEU 31 17.993 -2.931 2.012 229 HD22 LEU 31 1HD2 LEU 31 17.315 -2.091 3.408 230 HD23 LEU 31 2HD2 LEU 31 16.811 -1.642 1.778 231 H GLN 32 H GLN 32 11.903 -1.384 4.022 232 HA GLN 32 HA GLN 32 10.240 -1.094 1.607 233 HB2 GLN 32 2HB GLN 32 9.491 -2.199 4.318 234 HB3 GLN 32 3HB GLN 32 8.344 -1.888 3.022 235 HG2 GLN 32 2HG GLN 32 10.665 -3.595 2.367 236 HG3 GLN 32 3HG GLN 32 9.451 -4.272 3.450 237 HE21 GLN 32 1HE2 GLN 32 10.287 -3.608 0.251 238 HE22 GLN 32 2HE2 GLN 32 8.787 -4.036 -0.492 239 H TYR 33 H TYR 33 11.604 1.092 2.651 240 HA TYR 33 HA TYR 33 10.115 2.602 4.510 241 HB2 TYR 33 2HB TYR 33 11.385 4.556 3.516 242 HB3 TYR 33 3HB TYR 33 12.376 3.235 4.126 243 HD1 TYR 33 HD1 TYR 33 10.752 4.307 0.931 244 HD2 TYR 33 HD2 TYR 33 14.129 2.525 2.807 245 HE1 TYR 33 HE1 TYR 33 11.874 4.150 -1.252 246 HE2 TYR 33 HE2 TYR 33 15.261 2.364 0.630 247 HH TYR 33 HH TYR 33 14.639 4.013 -1.893 248 H ARG 34 H ARG 34 9.557 1.849 1.233 249 HA ARG 34 HA ARG 34 8.161 4.135 0.378 250 HB2 ARG 34 2HB ARG 34 7.789 1.253 -0.458 251 HB3 ARG 34 3HB ARG 34 7.171 2.652 -1.325 252 HG2 ARG 34 2HG ARG 34 9.402 3.403 -1.811 253 HG3 ARG 34 3HG ARG 34 10.088 2.118 -0.814 254 HD2 ARG 34 2HD ARG 34 9.533 0.463 -2.340 255 HD3 ARG 34 3HD ARG 34 8.283 1.446 -3.101 256 HE ARG 34 HE ARG 34 10.865 2.588 -3.449 257 HH11 ARG 34 1HH1 ARG 34 8.753 0.077 -4.612 258 HH12 ARG 34 2HH1 ARG 34 9.471 0.022 -6.188 259 HH21 ARG 34 1HH2 ARG 34 11.818 2.526 -5.520 260 HH22 ARG 34 2HH2 ARG 34 11.215 1.416 -6.703 261 H ASP 35 H ASP 35 7.235 1.436 2.373 262 HA ASP 35 HA ASP 35 4.459 2.409 2.426 263 HB2 ASP 35 2HB ASP 35 4.171 0.116 3.683 264 HB3 ASP 35 3HB ASP 35 4.271 0.163 1.925 265 H ALA 36 H ALA 36 6.271 3.939 3.796 266 HA ALA 36 HA ALA 36 6.756 3.277 6.459 267 HB1 ALA 36 1HB ALA 36 7.836 5.206 6.262 268 HB2 ALA 36 2HB ALA 36 6.917 5.628 4.816 269 HB3 ALA 36 3HB ALA 36 6.287 6.037 6.412 270 HA PRO 37 HA PRO 37 2.635 5.479 7.666 271 HB2 PRO 37 2HB PRO 37 0.952 6.187 5.657 272 HB3 PRO 37 3HB PRO 37 2.223 7.254 6.266 273 HG2 PRO 37 2HG PRO 37 2.221 5.506 3.836 274 HG3 PRO 37 3HG PRO 37 2.808 7.169 4.018 275 HD2 PRO 37 2HD PRO 37 4.467 5.029 4.027 276 HD3 PRO 37 3HD PRO 37 4.796 6.497 4.971 277 H LYS 38 H LYS 38 2.574 3.371 4.847 278 HA LYS 38 HA LYS 38 0.033 2.228 5.280 279 HB2 LYS 38 2HB LYS 38 0.956 1.897 3.143 280 HB3 LYS 38 3HB LYS 38 2.487 1.328 3.795 281 HG2 LYS 38 2HG LYS 38 1.787 -0.786 3.892 282 HG3 LYS 38 3HG LYS 38 0.220 -0.333 4.566 283 HD2 LYS 38 2HD LYS 38 0.666 0.355 1.728 284 HD3 LYS 38 3HD LYS 38 0.541 -1.366 2.101 285 HE2 LYS 38 2HE LYS 38 -1.670 -1.014 1.908 286 HE3 LYS 38 3HE LYS 38 -1.530 -0.364 3.541 287 HZ1 LYS 38 3HZ LYS 38 -2.685 1.026 1.722 288 HZ2 LYS 38 1HZ LYS 38 -1.112 1.395 1.218 289 HZ3 LYS 38 2HZ LYS 38 -1.614 1.795 2.783 290 H VAL 39 H VAL 39 3.277 0.961 6.054 291 HA VAL 39 HA VAL 39 2.360 -1.289 7.481 292 HB VAL 39 HB VAL 39 4.993 0.175 7.707 293 HG11 VAL 39 1HG1 VAL 39 5.466 -1.159 9.417 294 HG12 VAL 39 2HG1 VAL 39 3.901 -1.961 9.271 295 HG13 VAL 39 3HG1 VAL 39 5.283 -2.548 8.345 296 HG21 VAL 39 3HG2 VAL 39 4.398 -2.370 6.215 297 HG22 VAL 39 1HG2 VAL 39 4.338 -0.776 5.461 298 HG23 VAL 39 2HG2 VAL 39 5.853 -1.376 6.136 299 H ALA 40 H ALA 40 3.089 2.008 8.461 300 HA ALA 40 HA ALA 40 3.058 1.612 11.247 301 HB1 ALA 40 1HB ALA 40 2.866 3.927 9.425 302 HB2 ALA 40 2HB ALA 40 2.231 4.156 11.055 303 HB3 ALA 40 3HB ALA 40 3.908 3.662 10.824 304 H GLU 41 H GLU 41 0.481 2.573 8.993 305 HA GLU 41 HA GLU 41 -1.540 2.829 10.946 306 HB2 GLU 41 2HB GLU 41 -1.528 3.680 8.523 307 HB3 GLU 41 3HB GLU 41 -2.037 2.057 8.079 308 HG2 GLU 41 2HG GLU 41 -4.072 2.263 9.235 309 HG3 GLU 41 3HG GLU 41 -3.529 3.704 10.093 310 H MET 42 H MET 42 -0.716 0.157 8.748 311 HA MET 42 HA MET 42 -2.728 -1.604 9.613 312 HB2 MET 42 2HB MET 42 -0.987 -1.680 7.594 313 HB3 MET 42 3HB MET 42 -0.112 -2.710 8.719 314 HG2 MET 42 2HG MET 42 -2.441 -3.905 8.928 315 HG3 MET 42 3HG MET 42 -2.708 -3.168 7.350 316 HE1 MET 42 3HE MET 42 -1.160 -6.077 9.295 317 HE2 MET 42 1HE MET 42 0.304 -6.471 8.393 318 HE3 MET 42 2HE MET 42 0.209 -4.964 9.305 319 H TRP 43 H TRP 43 0.694 -1.364 10.565 320 HA TRP 43 HA TRP 43 0.744 -3.438 12.411 321 HB2 TRP 43 2HB TRP 43 2.749 -2.227 11.616 322 HB3 TRP 43 3HB TRP 43 2.261 -0.824 12.564 323 HD1 TRP 43 HD1 TRP 43 3.608 -4.397 12.993 324 HE1 TRP 43 HE1 TRP 43 4.641 -4.600 15.341 325 HE3 TRP 43 HE3 TRP 43 2.213 0.142 14.888 326 HZ2 TRP 43 HZ2 TRP 43 4.839 -3.042 17.687 327 HZ3 TRP 43 HZ3 TRP 43 2.863 0.708 17.193 328 HH2 TRP 43 HH2 TRP 43 4.149 -0.853 18.562 329 H LYS 44 H LYS 44 -0.001 -0.003 12.947 330 HA LYS 44 HA LYS 44 -0.425 -0.141 15.706 331 HB2 LYS 44 2HB LYS 44 -0.206 1.989 14.588 332 HB3 LYS 44 3HB LYS 44 -1.649 1.682 13.630 333 HG2 LYS 44 2HG LYS 44 -3.018 1.763 15.641 334 HG3 LYS 44 3HG LYS 44 -1.576 2.036 16.621 335 HD2 LYS 44 2HD LYS 44 -1.238 4.175 15.734 336 HD3 LYS 44 3HD LYS 44 -2.288 3.864 14.349 337 HE2 LYS 44 2HE LYS 44 -3.347 3.866 17.157 338 HE3 LYS 44 3HE LYS 44 -3.178 5.361 16.237 339 HZ1 LYS 44 3HZ LYS 44 -5.078 3.191 15.913 340 HZ2 LYS 44 1HZ LYS 44 -4.459 3.833 14.476 341 HZ3 LYS 44 2HZ LYS 44 -5.249 4.841 15.580 342 H GLU 45 H GLU 45 -2.912 -0.083 13.143 343 HA GLU 45 HA GLU 45 -5.106 -0.621 14.742 344 HB2 GLU 45 2HB GLU 45 -4.477 -0.985 11.860 345 HB3 GLU 45 3HB GLU 45 -5.887 -1.829 12.484 346 HG2 GLU 45 2HG GLU 45 -6.582 0.268 11.580 347 HG3 GLU 45 3HG GLU 45 -6.750 0.326 13.334 348 H TYR 46 H TYR 46 -2.657 -2.782 13.529 349 HA TYR 46 HA TYR 46 -4.092 -5.196 14.082 350 HB2 TYR 46 2HB TYR 46 -2.400 -5.332 12.418 351 HB3 TYR 46 3HB TYR 46 -1.196 -4.605 13.477 352 HD1 TYR 46 HD1 TYR 46 -0.136 -5.919 15.243 353 HD2 TYR 46 HD2 TYR 46 -2.964 -7.676 12.594 354 HE1 TYR 46 HE1 TYR 46 0.602 -8.156 15.950 355 HE2 TYR 46 HE2 TYR 46 -2.235 -9.918 13.294 356 HH TYR 46 HH TYR 46 -1.125 -11.004 15.131 357 H MET 47 H MET 47 -1.712 -3.235 15.790 358 HA MET 47 HA MET 47 -1.367 -5.078 17.946 359 HB2 MET 47 2HB MET 47 -0.712 -2.137 17.708 360 HB3 MET 47 3HB MET 47 -0.246 -3.149 19.069 361 HG2 MET 47 2HG MET 47 0.531 -3.913 16.289 362 HG3 MET 47 3HG MET 47 1.446 -2.692 17.171 363 HE1 MET 47 3HE MET 47 2.560 -2.848 19.084 364 HE2 MET 47 1HE MET 47 2.187 -4.055 20.316 365 HE3 MET 47 2HE MET 47 3.652 -4.208 19.347 366 H LEU 48 H LEU 48 -3.616 -2.546 17.209 367 HA LEU 48 HA LEU 48 -4.636 -2.491 19.945 368 HB2 LEU 48 2HB LEU 48 -5.113 -0.843 17.494 369 HB3 LEU 48 3HB LEU 48 -6.257 -0.799 18.834 370 HG LEU 48 HG LEU 48 -4.272 -0.156 20.297 371 HD11 LEU 48 1HD1 LEU 48 -2.385 0.876 19.165 372 HD12 LEU 48 2HD1 LEU 48 -3.053 0.415 17.600 373 HD13 LEU 48 3HD1 LEU 48 -2.517 -0.828 18.730 374 HD21 LEU 48 3HD2 LEU 48 -5.825 1.528 19.901 375 HD22 LEU 48 1HD2 LEU 48 -5.474 1.581 18.173 376 HD23 LEU 48 2HD2 LEU 48 -4.313 2.234 19.329 377 H ARG 49 H ARG 49 -4.897 -4.896 18.351 378 HA ARG 49 HA ARG 49 -7.830 -5.016 18.092 379 HB2 ARG 49 2HB ARG 49 -5.641 -6.165 16.455 380 HB3 ARG 49 3HB ARG 49 -7.045 -7.191 16.717 381 HG2 ARG 49 2HG ARG 49 -8.487 -5.677 15.650 382 HG3 ARG 49 3HG ARG 49 -7.296 -4.376 15.714 383 HD2 ARG 49 2HD ARG 49 -6.131 -5.169 13.924 384 HD3 ARG 49 3HD ARG 49 -6.537 -6.850 14.268 385 HE ARG 49 HE ARG 49 -8.836 -5.402 13.458 386 HH11 ARG 49 1HH1 ARG 49 -5.917 -6.852 12.234 387 HH12 ARG 49 2HH1 ARG 49 -6.565 -7.135 10.652 388 HH21 ARG 49 1HH2 ARG 49 -9.701 -5.770 11.379 389 HH22 ARG 49 2HH2 ARG 49 -8.718 -6.519 10.167 390 HA PRO 50 HA PRO 50 -7.898 -7.936 21.379 391 HB2 PRO 50 2HB PRO 50 -10.171 -9.281 20.750 392 HB3 PRO 50 3HB PRO 50 -10.176 -7.639 21.404 393 HG2 PRO 50 2HG PRO 50 -10.458 -8.549 18.566 394 HG3 PRO 50 3HG PRO 50 -11.363 -7.295 19.434 395 HD2 PRO 50 2HD PRO 50 -9.333 -6.716 17.739 396 HD3 PRO 50 3HD PRO 50 -9.692 -5.729 19.170 397 H SER 51 H SER 51 -8.567 -9.262 18.143 398 HA SER 51 HA SER 51 -8.140 -11.938 18.617 399 HB2 SER 51 2HB SER 51 -8.765 -10.641 16.420 400 HB3 SER 51 3HB SER 51 -7.030 -10.712 16.116 401 HG SER 51 HG SER 51 -7.991 -12.520 15.215 402 H VAL 52 H VAL 52 -5.732 -9.426 17.974 403 HA VAL 52 HA VAL 52 -3.485 -11.130 17.872 404 HB VAL 52 HB VAL 52 -3.624 -8.214 18.651 405 HG11 VAL 52 1HG1 VAL 52 -1.273 -9.910 17.819 406 HG12 VAL 52 2HG1 VAL 52 -1.240 -8.159 18.037 407 HG13 VAL 52 3HG1 VAL 52 -1.552 -9.216 19.415 408 HG21 VAL 52 3HG2 VAL 52 -2.622 -8.168 16.189 409 HG22 VAL 52 1HG2 VAL 52 -3.567 -9.651 16.057 410 HG23 VAL 52 2HG2 VAL 52 -4.358 -8.137 16.496 411 H ASN 53 H ASN 53 -2.745 -12.371 19.453 412 HA ASN 53 HA ASN 53 -3.471 -12.011 22.182 413 HB2 ASN 53 2HB ASN 53 -2.445 -14.095 20.639 414 HB3 ASN 53 3HB ASN 53 -1.160 -13.729 21.787 415 HD21 ASN 53 1HD2 ASN 53 -4.708 -13.905 21.856 416 HD22 ASN 53 2HD2 ASN 53 -4.799 -14.883 23.277 417 H THR 54 H THR 54 -1.728 -12.041 23.927 418 HA THR 54 HA THR 54 -0.331 -9.620 23.883 419 HB THR 54 HB THR 54 0.911 -11.444 25.730 420 HG1 THR 54 HG1 THR 54 -0.815 -12.378 26.655 421 HG21 THR 54 3HG2 THR 54 0.011 -9.901 27.378 422 HG22 THR 54 1HG2 THR 54 -1.074 -9.211 26.172 423 HG23 THR 54 2HG2 THR 54 0.670 -9.004 26.010 424 H ARG 55 H ARG 55 0.822 -12.943 23.401 425 HA ARG 55 HA ARG 55 3.540 -12.476 23.232 426 HB2 ARG 55 2HB ARG 55 1.692 -14.521 22.137 427 HB3 ARG 55 3HB ARG 55 3.283 -14.422 21.394 428 HG2 ARG 55 2HG ARG 55 4.303 -14.689 23.628 429 HG3 ARG 55 3HG ARG 55 2.686 -14.892 24.307 430 HD2 ARG 55 2HD ARG 55 3.612 -17.065 23.969 431 HD3 ARG 55 3HD ARG 55 2.360 -16.819 22.753 432 HE ARG 55 HE ARG 55 4.887 -16.067 21.731 433 HH11 ARG 55 1HH1 ARG 55 2.993 -18.867 22.561 434 HH12 ARG 55 2HH1 ARG 55 3.778 -19.901 21.414 435 HH21 ARG 55 1HH2 ARG 55 5.929 -17.418 20.216 436 HH22 ARG 55 2HH2 ARG 55 5.449 -19.075 20.081 437 H ARG 56 H ARG 56 1.199 -12.498 20.543 438 HA ARG 56 HA ARG 56 2.926 -11.825 18.489 439 HB2 ARG 56 2HB ARG 56 0.007 -11.229 18.920 440 HB3 ARG 56 3HB ARG 56 0.842 -10.742 17.451 441 HG2 ARG 56 2HG ARG 56 1.186 -12.940 16.771 442 HG3 ARG 56 3HG ARG 56 0.907 -13.583 18.390 443 HD2 ARG 56 2HD ARG 56 -1.471 -12.449 17.982 444 HD3 ARG 56 3HD ARG 56 -1.031 -12.762 16.304 445 HE ARG 56 HE ARG 56 -0.548 -15.124 17.558 446 HH11 ARG 56 1HH1 ARG 56 -3.304 -13.010 17.331 447 HH12 ARG 56 2HH1 ARG 56 -4.463 -14.290 17.477 448 HH21 ARG 56 1HH2 ARG 56 -2.063 -16.818 17.752 449 HH22 ARG 56 2HH2 ARG 56 -3.756 -16.456 17.718 450 H LYS 57 H LYS 57 1.176 -9.689 20.708 451 HA LYS 57 HA LYS 57 1.987 -7.258 19.526 452 HB2 LYS 57 2HB LYS 57 0.969 -8.003 22.254 453 HB3 LYS 57 3HB LYS 57 1.479 -6.358 21.900 454 HG2 LYS 57 2HG LYS 57 -0.348 -5.916 20.674 455 HG3 LYS 57 3HG LYS 57 -0.383 -7.527 19.953 456 HD2 LYS 57 2HD LYS 57 -1.576 -8.432 21.727 457 HD3 LYS 57 3HD LYS 57 -1.091 -7.149 22.837 458 HE2 LYS 57 2HE LYS 57 -2.670 -6.330 20.476 459 HE3 LYS 57 3HE LYS 57 -3.517 -7.280 21.695 460 HZ1 LYS 57 3HZ LYS 57 -2.920 -4.561 21.758 461 HZ2 LYS 57 1HZ LYS 57 -1.995 -5.292 22.972 462 HZ3 LYS 57 2HZ LYS 57 -3.676 -5.485 22.957 463 H LEU 58 H LEU 58 3.279 -9.065 22.305 464 HA LEU 58 HA LEU 58 5.309 -7.356 23.059 465 HB2 LEU 58 2HB LEU 58 4.664 -9.387 24.277 466 HB3 LEU 58 3HB LEU 58 5.394 -10.370 23.009 467 HG LEU 58 HG LEU 58 6.694 -10.008 25.201 468 HD11 LEU 58 1HD1 LEU 58 8.284 -10.902 23.946 469 HD12 LEU 58 2HD1 LEU 58 8.683 -9.305 23.315 470 HD13 LEU 58 3HD1 LEU 58 7.490 -10.307 22.488 471 HD21 LEU 58 3HD2 LEU 58 7.585 -7.479 23.864 472 HD22 LEU 58 1HD2 LEU 58 7.864 -8.024 25.518 473 HD23 LEU 58 2HD2 LEU 58 6.261 -7.475 25.030 474 H LEU 59 H LEU 59 5.384 -9.880 20.568 475 HA LEU 59 HA LEU 59 8.103 -9.478 19.862 476 HB2 LEU 59 2HB LEU 59 5.875 -10.642 18.200 477 HB3 LEU 59 3HB LEU 59 7.603 -10.829 17.906 478 HG LEU 59 HG LEU 59 6.255 -11.855 20.395 479 HD11 LEU 59 1HD1 LEU 59 6.866 -13.439 17.908 480 HD12 LEU 59 2HD1 LEU 59 5.260 -12.840 18.325 481 HD13 LEU 59 3HD1 LEU 59 6.068 -14.002 19.377 482 HD21 LEU 59 3HD2 LEU 59 8.574 -11.713 20.724 483 HD22 LEU 59 1HD2 LEU 59 8.927 -12.262 19.085 484 HD23 LEU 59 2HD2 LEU 59 8.283 -13.394 20.274 485 H GLY 60 H GLY 60 5.043 -8.281 18.527 486 HA2 GLY 60 2HA GLY 60 5.991 -6.978 16.272 487 HA3 GLY 60 3HA GLY 60 4.593 -6.460 17.203 488 H LEU 61 H LEU 61 5.754 -5.713 19.585 489 HA LEU 61 HA LEU 61 6.608 -3.111 19.049 490 HB2 LEU 61 2HB LEU 61 5.697 -4.286 21.225 491 HB3 LEU 61 3HB LEU 61 7.415 -4.445 21.586 492 HG LEU 61 HG LEU 61 6.431 -2.489 22.674 493 HD11 LEU 61 1HD1 LEU 61 8.253 -1.557 20.474 494 HD12 LEU 61 2HD1 LEU 61 8.813 -2.551 21.819 495 HD13 LEU 61 3HD1 LEU 61 8.130 -0.954 22.127 496 HD21 LEU 61 3HD2 LEU 61 5.172 -2.155 20.141 497 HD22 LEU 61 1HD2 LEU 61 6.138 -0.721 20.487 498 HD23 LEU 61 2HD2 LEU 61 4.910 -1.254 21.635 499 H TYR 62 H TYR 62 8.470 -6.017 19.836 500 HA TYR 62 HA TYR 62 10.992 -4.752 19.967 501 HB2 TYR 62 2HB TYR 62 10.023 -7.557 19.732 502 HB3 TYR 62 3HB TYR 62 11.703 -7.241 19.315 503 HD1 TYR 62 HD2 TYR 62 12.843 -5.544 21.151 504 HD2 TYR 62 HD1 TYR 62 9.689 -8.307 21.878 505 HE1 TYR 62 HE2 TYR 62 13.449 -5.601 23.534 506 HE2 TYR 62 HE1 TYR 62 10.286 -8.370 24.263 507 HH TYR 62 HH TYR 62 11.736 -7.710 25.817 508 H LEU 63 H LEU 63 9.135 -6.129 17.325 509 HA LEU 63 HA LEU 63 11.209 -6.106 15.395 510 HB2 LEU 63 2HB LEU 63 9.179 -7.440 15.144 511 HB3 LEU 63 3HB LEU 63 8.219 -5.966 15.029 512 HG LEU 63 HG LEU 63 9.520 -5.420 12.937 513 HD11 LEU 63 1HD1 LEU 63 10.664 -7.239 11.811 514 HD12 LEU 63 2HD1 LEU 63 10.363 -8.305 13.183 515 HD13 LEU 63 3HD1 LEU 63 11.422 -6.907 13.368 516 HD21 LEU 63 3HD2 LEU 63 8.217 -6.972 11.543 517 HD22 LEU 63 1HD2 LEU 63 7.252 -6.272 12.843 518 HD23 LEU 63 2HD2 LEU 63 7.843 -7.928 12.978 519 H MET 64 H MET 64 8.458 -3.886 15.884 520 HA MET 64 HA MET 64 9.256 -1.996 13.970 521 HB2 MET 64 2HB MET 64 7.561 -0.623 14.805 522 HB3 MET 64 3HB MET 64 6.999 -2.243 15.195 523 HG2 MET 64 2HG MET 64 6.623 -1.309 17.203 524 HG3 MET 64 3HG MET 64 8.324 -1.695 17.448 525 HE1 MET 64 3HE MET 64 6.255 0.885 18.769 526 HE2 MET 64 1HE MET 64 7.651 0.034 19.429 527 HE3 MET 64 2HE MET 64 7.704 1.784 19.221 528 H ASN 65 H ASN 65 10.210 -2.491 17.289 529 HA ASN 65 HA ASN 65 11.411 0.049 17.698 530 HB2 ASN 65 2HB ASN 65 10.733 -1.548 19.516 531 HB3 ASN 65 3HB ASN 65 12.113 -2.550 19.075 532 HD21 ASN 65 1HD2 ASN 65 13.064 -2.304 21.086 533 HD22 ASN 65 2HD2 ASN 65 13.806 -0.824 21.582 534 H HIS 66 H HIS 66 12.723 -3.124 16.782 535 HA HIS 66 HA HIS 66 15.409 -2.261 16.561 536 HB2 HIS 66 2HB HIS 66 14.428 -4.669 16.713 537 HB3 HIS 66 3HB HIS 66 14.300 -4.547 14.961 538 HD1 HIS 66 HD1 HIS 66 17.125 -3.505 17.292 539 HD2 HIS 66 HD2 HIS 66 16.404 -5.950 14.010 540 HE1 HIS 66 HE1 HIS 66 19.363 -4.462 16.662 541 H VAL 67 H VAL 67 12.702 -2.287 14.344 542 HA VAL 67 HA VAL 67 14.185 -1.809 11.971 543 HB VAL 67 HB VAL 67 11.294 -1.197 12.603 544 HG11 VAL 67 1HG1 VAL 67 12.916 -0.490 10.342 545 HG12 VAL 67 2HG1 VAL 67 11.642 -1.608 9.852 546 HG13 VAL 67 3HG1 VAL 67 11.228 -0.102 10.671 547 HG21 VAL 67 3HG2 VAL 67 11.855 -3.368 10.757 548 HG22 VAL 67 1HG2 VAL 67 12.555 -3.643 12.353 549 HG23 VAL 67 2HG2 VAL 67 10.825 -3.339 12.189 550 H VAL 68 H VAL 68 12.226 0.381 13.996 551 HA VAL 68 HA VAL 68 12.941 2.740 12.641 552 HB VAL 68 HB VAL 68 12.079 3.946 14.575 553 HG11 VAL 68 1HG1 VAL 68 10.147 3.474 13.570 554 HG12 VAL 68 2HG1 VAL 68 10.653 1.824 13.206 555 HG13 VAL 68 3HG1 VAL 68 9.940 2.203 14.774 556 HG21 VAL 68 3HG2 VAL 68 12.958 2.785 16.427 557 HG22 VAL 68 1HG2 VAL 68 11.212 2.549 16.515 558 HG23 VAL 68 2HG2 VAL 68 12.247 1.257 15.908 559 H GLN 69 H GLN 69 14.442 0.992 15.284 560 HA GLN 69 HA GLN 69 16.244 3.027 16.077 561 HB2 GLN 69 2HB GLN 69 16.017 0.090 16.522 562 HB3 GLN 69 3HB GLN 69 17.559 0.859 16.872 563 HG2 GLN 69 2HG GLN 69 16.346 2.460 18.344 564 HG3 GLN 69 3HG GLN 69 14.886 1.505 18.089 565 HE21 GLN 69 1HE2 GLN 69 14.600 0.765 20.124 566 HE22 GLN 69 2HE2 GLN 69 15.711 -0.272 20.944 567 H GLN 70 H GLN 70 16.619 0.213 13.937 568 HA GLN 70 HA GLN 70 19.309 0.833 13.236 569 HB2 GLN 70 2HB GLN 70 17.243 -1.094 12.276 570 HB3 GLN 70 3HB GLN 70 18.633 -0.779 11.245 571 HG2 GLN 70 2HG GLN 70 19.129 -1.417 14.100 572 HG3 GLN 70 3HG GLN 70 18.624 -2.721 13.027 573 HE21 GLN 70 1HE2 GLN 70 19.853 -2.428 10.772 574 HE22 GLN 70 2HE2 GLN 70 21.570 -2.348 10.943 575 H ALA 71 H ALA 71 16.178 1.695 11.961 576 HA ALA 71 HA ALA 71 16.781 2.498 9.393 577 HB1 ALA 71 1HB ALA 71 15.023 4.442 10.394 578 HB2 ALA 71 2HB ALA 71 14.616 2.969 9.512 579 HB3 ALA 71 3HB ALA 71 14.668 2.956 11.275 580 H LYS 72 H LYS 72 17.589 4.033 12.416 581 HA LYS 72 HA LYS 72 18.134 6.626 11.591 582 HB2 LYS 72 2HB LYS 72 19.089 4.870 13.786 583 HB3 LYS 72 3HB LYS 72 20.055 6.298 13.440 584 HG2 LYS 72 2HG LYS 72 17.879 7.610 13.611 585 HG3 LYS 72 3HG LYS 72 17.195 6.150 14.328 586 HD2 LYS 72 2HD LYS 72 17.888 7.277 16.209 587 HD3 LYS 72 3HD LYS 72 19.310 6.288 15.871 588 HE2 LYS 72 2HE LYS 72 19.120 8.996 14.646 589 HE3 LYS 72 3HE LYS 72 19.520 8.869 16.358 590 HZ1 LYS 72 3HZ LYS 72 21.095 7.017 15.017 591 HZ2 LYS 72 1HZ LYS 72 21.596 8.449 15.766 592 HZ3 LYS 72 2HZ LYS 72 21.187 8.451 14.125 593 H GLY 73 H GLY 73 20.176 3.738 11.429 594 HA2 GLY 73 2HA GLY 73 22.444 5.149 10.381 595 HA3 GLY 73 3HA GLY 73 22.248 3.405 10.464 596 H GLN 74 H GLN 74 19.597 3.770 9.005 597 HA GLN 74 HA GLN 74 20.764 3.667 6.335 598 HB2 GLN 74 2HB GLN 74 18.155 2.779 7.521 599 HB3 GLN 74 3HB GLN 74 18.326 2.950 5.779 600 HG2 GLN 74 2HG GLN 74 19.606 1.115 5.587 601 HG3 GLN 74 3HG GLN 74 20.445 1.410 7.109 602 HE21 GLN 74 1HE2 GLN 74 18.786 1.269 9.040 603 HE22 GLN 74 2HE2 GLN 74 17.852 -0.185 9.056 604 H LYS 75 H LYS 75 19.993 6.138 8.065 605 HA LYS 75 HA LYS 75 19.161 8.233 7.735 606 HB2 LYS 75 2HB LYS 75 19.625 7.477 4.845 607 HB3 LYS 75 3HB LYS 75 19.343 9.112 5.426 608 HG2 LYS 75 2HG LYS 75 21.638 7.404 6.350 609 HG3 LYS 75 3HG LYS 75 21.736 8.518 4.984 610 HD2 LYS 75 2HD LYS 75 20.740 9.505 7.622 611 HD3 LYS 75 3HD LYS 75 22.474 9.289 7.372 612 HE2 LYS 75 2HE LYS 75 22.207 11.474 6.717 613 HE3 LYS 75 3HE LYS 75 22.019 10.638 5.176 614 HZ1 LYS 75 3HZ LYS 75 20.223 12.363 6.382 615 HZ2 LYS 75 1HZ LYS 75 19.524 10.826 6.489 616 HZ3 LYS 75 2HZ LYS 75 19.980 11.444 4.983 617 H ILE 76 H ILE 76 17.151 6.580 8.298 618 HA ILE 76 HA ILE 76 15.048 7.192 6.328 619 HB ILE 76 HB ILE 76 14.820 5.133 8.511 620 HG12 ILE 76 2HG1 ILE 76 16.742 4.525 7.127 621 HG13 ILE 76 3HG1 ILE 76 15.396 3.434 6.820 622 HG21 ILE 76 1HG2 ILE 76 13.250 4.264 6.536 623 HG22 ILE 76 2HG2 ILE 76 12.696 5.396 7.768 624 HG23 ILE 76 3HG2 ILE 76 13.204 5.992 6.188 625 HD11 ILE 76 3HD1 ILE 76 16.283 5.727 5.088 626 HD12 ILE 76 1HD1 ILE 76 16.471 4.006 4.751 627 HD13 ILE 76 2HD1 ILE 76 14.861 4.727 4.792 628 H ILE 77 H ILE 77 13.506 8.588 6.878 629 HA ILE 77 HA ILE 77 13.211 9.284 9.727 630 HB ILE 77 HB ILE 77 12.703 11.087 7.358 631 HG12 ILE 77 2HG1 ILE 77 15.101 10.606 7.658 632 HG13 ILE 77 3HG1 ILE 77 14.725 12.280 8.049 633 HG21 ILE 77 1HG2 ILE 77 11.305 11.865 9.030 634 HG22 ILE 77 2HG2 ILE 77 12.425 11.417 10.316 635 HG23 ILE 77 3HG2 ILE 77 12.770 12.811 9.292 636 HD11 ILE 77 3HD1 ILE 77 14.765 11.735 10.424 637 HD12 ILE 77 1HD1 ILE 77 15.136 10.056 10.033 638 HD13 ILE 77 2HD1 ILE 77 16.291 11.330 9.639 639 H GLN 78 H GLN 78 11.637 8.297 6.821 640 HA GLN 78 HA GLN 78 8.992 9.046 7.430 641 HB2 GLN 78 2HB GLN 78 9.890 6.652 5.820 642 HB3 GLN 78 3HB GLN 78 8.322 7.444 5.739 643 HG2 GLN 78 2HG GLN 78 10.968 8.617 4.916 644 HG3 GLN 78 3HG GLN 78 9.673 8.076 3.848 645 HE21 GLN 78 1HE2 GLN 78 11.033 10.732 4.440 646 HE22 GLN 78 2HE2 GLN 78 9.717 11.828 4.660 647 H PHE 79 H PHE 79 10.787 6.047 8.046 648 HA PHE 79 HA PHE 79 8.644 4.676 9.279 649 HB2 PHE 79 2HB PHE 79 11.543 4.270 8.942 650 HB3 PHE 79 3HB PHE 79 10.856 3.521 10.380 651 HD1 PHE 79 HD2 PHE 79 8.360 2.470 9.700 652 HD2 PHE 79 HD1 PHE 79 11.813 2.782 7.231 653 HE1 PHE 79 HE2 PHE 79 7.548 0.592 8.334 654 HE2 PHE 79 HE1 PHE 79 11.006 0.905 5.860 655 HZ PHE 79 HZ PHE 79 8.872 -0.194 6.412 656 H GLN 80 H GLN 80 11.237 6.712 10.540 657 HA GLN 80 HA GLN 80 10.868 6.261 13.264 658 HB2 GLN 80 2HB GLN 80 11.724 8.805 11.872 659 HB3 GLN 80 3HB GLN 80 11.919 8.478 13.589 660 HG2 GLN 80 2HG GLN 80 13.256 6.424 12.850 661 HG3 GLN 80 3HG GLN 80 13.310 7.199 11.268 662 HE21 GLN 80 1HE2 GLN 80 15.081 6.712 13.889 663 HE22 GLN 80 2HE2 GLN 80 16.017 8.164 13.931 664 H ASP 81 H ASP 81 9.448 8.809 11.220 665 HA ASP 81 HA ASP 81 7.783 9.825 13.298 666 HB2 ASP 81 2HB ASP 81 8.580 11.084 11.236 667 HB3 ASP 81 3HB ASP 81 7.354 10.197 10.335 668 H SER 82 H SER 82 7.261 7.639 10.565 669 HA SER 82 HA SER 82 4.499 7.350 10.766 670 HB2 SER 82 2HB SER 82 6.675 5.526 9.772 671 HB3 SER 82 3HB SER 82 4.990 5.006 9.778 672 HG SER 82 HG SER 82 6.198 7.101 8.332 673 H PHE 83 H PHE 83 7.037 5.297 12.197 674 HA PHE 83 HA PHE 83 5.165 3.777 13.734 675 HB2 PHE 83 2HB PHE 83 8.140 3.907 13.512 676 HB3 PHE 83 3HB PHE 83 7.439 3.127 14.926 677 HD1 PHE 83 HD2 PHE 83 5.208 1.654 14.018 678 HD2 PHE 83 HD1 PHE 83 8.897 2.353 12.014 679 HE1 PHE 83 HE2 PHE 83 4.890 -0.412 12.721 680 HE2 PHE 83 HE1 PHE 83 8.585 0.288 10.713 681 HZ PHE 83 HZ PHE 83 6.581 -1.098 11.066 682 H GLY 84 H GLY 84 6.863 6.738 14.189 683 HA2 GLY 84 2HA GLY 84 6.778 6.735 17.060 684 HA3 GLY 84 3HA GLY 84 7.155 8.107 16.028 685 H LYS 85 H LYS 85 4.685 7.904 14.498 686 HA LYS 85 HA LYS 85 3.017 9.446 16.254 687 HB2 LYS 85 2HB LYS 85 1.574 9.726 14.306 688 HB3 LYS 85 3HB LYS 85 3.253 10.025 13.879 689 HG2 LYS 85 2HG LYS 85 3.373 8.225 12.512 690 HG3 LYS 85 3HG LYS 85 2.242 7.275 13.479 691 HD2 LYS 85 2HD LYS 85 1.240 7.816 11.343 692 HD3 LYS 85 3HD LYS 85 0.392 8.673 12.632 693 HE2 LYS 85 2HE LYS 85 1.553 10.714 12.105 694 HE3 LYS 85 3HE LYS 85 2.569 9.880 10.930 695 HZ1 LYS 85 3HZ LYS 85 -0.170 9.471 10.339 696 HZ2 LYS 85 1HZ LYS 85 1.035 10.169 9.378 697 HZ3 LYS 85 2HZ LYS 85 0.154 11.127 10.457 698 H VAL 86 H VAL 86 3.371 6.168 15.704 699 HA VAL 86 HA VAL 86 0.636 5.634 16.668 700 HB VAL 86 HB VAL 86 0.741 3.443 15.576 701 HG11 VAL 86 1HG1 VAL 86 0.229 5.840 14.394 702 HG12 VAL 86 2HG1 VAL 86 1.413 5.145 13.286 703 HG13 VAL 86 3HG1 VAL 86 -0.073 4.269 13.654 704 HG21 VAL 86 3HG2 VAL 86 2.526 2.886 14.028 705 HG22 VAL 86 1HG2 VAL 86 3.342 4.407 14.391 706 HG23 VAL 86 2HG2 VAL 86 3.186 3.170 15.639 707 H ALA 87 H ALA 87 3.879 5.564 17.425 708 HA ALA 87 HA ALA 87 4.014 3.154 18.940 709 HB1 ALA 87 1HB ALA 87 5.743 5.473 18.447 710 HB2 ALA 87 2HB ALA 87 5.950 4.715 20.027 711 HB3 ALA 87 3HB ALA 87 6.142 3.759 18.558 712 H ALA 88 H ALA 88 3.575 6.571 19.837 713 HA ALA 88 HA ALA 88 3.348 6.166 22.604 714 HB1 ALA 88 1HB ALA 88 3.361 8.347 20.932 715 HB2 ALA 88 2HB ALA 88 1.726 8.364 21.595 716 HB3 ALA 88 3HB ALA 88 3.117 8.385 22.678 717 H GLU 89 H GLU 89 1.036 5.838 20.008 718 HA GLU 89 HA GLU 89 -1.260 5.719 21.734 719 HB2 GLU 89 2HB GLU 89 -1.205 6.421 19.263 720 HB3 GLU 89 3HB GLU 89 -1.142 4.701 18.903 721 HG2 GLU 89 2HG GLU 89 -3.411 5.557 18.760 722 HG3 GLU 89 3HG GLU 89 -3.257 4.363 20.047 723 H VAL 90 H VAL 90 0.473 3.322 19.744 724 HA VAL 90 HA VAL 90 -0.962 1.082 20.656 725 HB VAL 90 HB VAL 90 1.852 1.218 19.567 726 HG11 VAL 90 1HG1 VAL 90 1.734 -0.869 20.596 727 HG12 VAL 90 2HG1 VAL 90 0.034 -1.086 20.177 728 HG13 VAL 90 3HG1 VAL 90 1.274 -1.206 18.928 729 HG21 VAL 90 3HG2 VAL 90 0.992 1.313 17.500 730 HG22 VAL 90 1HG2 VAL 90 -0.283 0.155 17.879 731 HG23 VAL 90 2HG2 VAL 90 -0.486 1.857 18.293 732 H LEU 91 H LEU 91 2.295 2.208 21.580 733 HA LEU 91 HA LEU 91 2.851 0.366 23.548 734 HB2 LEU 91 2HB LEU 91 3.565 3.289 23.425 735 HB3 LEU 91 3HB LEU 91 4.265 2.153 24.576 736 HG LEU 91 HG LEU 91 4.480 1.598 21.648 737 HD11 LEU 91 1HD1 LEU 91 6.688 3.102 22.898 738 HD12 LEU 91 2HD1 LEU 91 5.242 4.028 22.494 739 HD13 LEU 91 3HD1 LEU 91 6.090 3.124 21.239 740 HD21 LEU 91 3HD2 LEU 91 6.487 0.455 22.318 741 HD22 LEU 91 1HD2 LEU 91 5.159 -0.068 23.355 742 HD23 LEU 91 2HD2 LEU 91 6.348 1.086 23.960 743 H GLY 92 H GLY 92 0.824 3.231 23.729 744 HA2 GLY 92 2HA GLY 92 0.508 3.186 26.566 745 HA3 GLY 92 3HA GLY 92 -0.489 4.074 25.423 746 H ARG 93 H ARG 93 -1.227 1.721 23.886 747 HA ARG 93 HA ARG 93 -3.431 0.866 25.533 748 HB2 ARG 93 2HB ARG 93 -2.642 0.528 22.673 749 HB3 ARG 93 3HB ARG 93 -3.813 -0.590 23.359 750 HG2 ARG 93 2HG ARG 93 -4.213 2.346 23.696 751 HG3 ARG 93 3HG ARG 93 -4.609 1.575 22.159 752 HD2 ARG 93 2HD ARG 93 -6.611 1.250 23.143 753 HD3 ARG 93 3HD ARG 93 -5.795 -0.135 23.869 754 HE ARG 93 HE ARG 93 -5.359 2.066 25.520 755 HH11 ARG 93 1HH1 ARG 93 -8.011 0.094 24.426 756 HH12 ARG 93 2HH1 ARG 93 -8.951 0.332 25.862 757 HH21 ARG 93 1HH2 ARG 93 -6.587 2.387 27.415 758 HH22 ARG 93 2HH2 ARG 93 -8.141 1.637 27.561 759 H ILE 94 H ILE 94 -0.796 -0.808 23.811 760 HA ILE 94 HA ILE 94 -1.329 -3.373 24.788 761 HB ILE 94 HB ILE 94 0.893 -3.983 24.106 762 HG12 ILE 94 2HG1 ILE 94 1.453 -1.013 23.964 763 HG13 ILE 94 3HG1 ILE 94 2.120 -2.135 25.145 764 HG21 ILE 94 1HG2 ILE 94 -0.735 -3.567 22.335 765 HG22 ILE 94 2HG2 ILE 94 -0.220 -1.883 22.251 766 HG23 ILE 94 3HG2 ILE 94 0.899 -3.171 21.804 767 HD11 ILE 94 3HD1 ILE 94 2.828 -1.721 22.303 768 HD12 ILE 94 1HD1 ILE 94 3.859 -2.039 23.697 769 HD13 ILE 94 2HD1 ILE 94 2.954 -3.356 22.951 770 H ASN 95 H ASN 95 0.274 -0.658 26.250 771 HA ASN 95 HA ASN 95 1.759 -1.967 28.229 772 HB2 ASN 95 2HB ASN 95 2.193 0.336 27.907 773 HB3 ASN 95 3HB ASN 95 0.497 0.767 28.108 774 HD21 ASN 95 1HD2 ASN 95 -0.221 1.305 30.067 775 HD22 ASN 95 2HD2 ASN 95 0.702 1.201 31.524 776 H GLN 96 H GLN 96 -1.640 -1.153 28.039 777 HA GLN 96 HA GLN 96 -2.142 -1.869 30.798 778 HB2 GLN 96 2HB GLN 96 -4.129 -1.298 28.594 779 HB3 GLN 96 3HB GLN 96 -4.460 -1.346 30.321 780 HG2 GLN 96 2HG GLN 96 -3.121 0.612 30.688 781 HG3 GLN 96 3HG GLN 96 -2.605 0.620 29.003 782 HE21 GLN 96 1HE2 GLN 96 -3.408 2.616 28.513 783 HE22 GLN 96 2HE2 GLN 96 -5.097 2.974 28.455 784 H GLU 97 H GLU 97 -2.848 -3.197 27.585 785 HA GLU 97 HA GLU 97 -4.236 -5.481 28.527 786 HB2 GLU 97 2HB GLU 97 -2.850 -4.898 25.910 787 HB3 GLU 97 3HB GLU 97 -3.752 -6.376 26.211 788 HG2 GLU 97 2HG GLU 97 -5.105 -3.783 26.710 789 HG3 GLU 97 3HG GLU 97 -4.851 -4.289 25.041 790 H PHE 98 H PHE 98 -0.928 -4.666 28.434 791 HA PHE 98 HA PHE 98 0.048 -7.384 28.363 792 HB2 PHE 98 2HB PHE 98 1.293 -4.676 28.583 793 HB3 PHE 98 3HB PHE 98 2.225 -6.078 29.096 794 HD1 PHE 98 HD2 PHE 98 -0.178 -6.514 26.422 795 HD2 PHE 98 HD1 PHE 98 3.867 -5.553 27.337 796 HE1 PHE 98 HE2 PHE 98 0.450 -6.946 24.083 797 HE2 PHE 98 HE1 PHE 98 4.501 -5.983 24.999 798 HZ PHE 98 HZ PHE 98 2.792 -6.681 23.369 799 HA PRO 99 HA PRO 99 -0.320 -8.192 32.679 800 HB2 PRO 99 2HB PRO 99 1.494 -10.202 32.869 801 HB3 PRO 99 3HB PRO 99 -0.095 -10.410 32.123 802 HG2 PRO 99 2HG PRO 99 2.562 -9.949 30.823 803 HG3 PRO 99 3HG PRO 99 1.270 -11.072 30.360 804 HD2 PRO 99 2HD PRO 99 1.648 -8.695 29.120 805 HD3 PRO 99 3HD PRO 99 0.042 -9.425 29.315 806 H ARG 100 H ARG 100 1.332 -8.745 34.557 807 HA ARG 100 HA ARG 100 2.873 -6.427 34.982 808 HB2 ARG 100 2HB ARG 100 2.455 -8.999 36.420 809 HB3 ARG 100 3HB ARG 100 3.859 -8.040 36.866 810 HG2 ARG 100 2HG ARG 100 2.239 -7.316 38.346 811 HG3 ARG 100 3HG ARG 100 2.185 -6.092 37.076 812 HD2 ARG 100 2HD ARG 100 0.229 -7.044 36.125 813 HD3 ARG 100 3HD ARG 100 0.371 -8.492 37.121 814 HE ARG 100 HE ARG 100 0.115 -6.200 38.755 815 HH11 ARG 100 1HH1 ARG 100 -1.722 -8.273 36.646 816 HH12 ARG 100 2HH1 ARG 100 -3.228 -7.973 37.449 817 HH21 ARG 100 1HH2 ARG 100 -1.861 -5.797 39.820 818 HH22 ARG 100 2HH2 ARG 100 -3.306 -6.564 39.254 819 H ASP 101 H ASP 101 3.787 -9.740 34.118 820 HA ASP 101 HA ASP 101 6.562 -9.426 34.224 821 HB2 ASP 101 2HB ASP 101 4.995 -11.201 32.340 822 HB3 ASP 101 3HB ASP 101 6.683 -11.401 32.801 823 H LEU 102 H LEU 102 4.298 -8.912 31.544 824 HA LEU 102 HA LEU 102 6.208 -8.297 29.581 825 HB2 LEU 102 2HB LEU 102 3.309 -7.983 29.925 826 HB3 LEU 102 3HB LEU 102 4.053 -6.819 28.831 827 HG LEU 102 HG LEU 102 3.201 -8.668 27.558 828 HD11 LEU 102 1HD1 LEU 102 6.183 -9.022 27.721 829 HD12 LEU 102 2HD1 LEU 102 5.413 -7.630 26.960 830 HD13 LEU 102 3HD1 LEU 102 5.135 -9.250 26.322 831 HD21 LEU 102 3HD2 LEU 102 3.050 -10.648 28.566 832 HD22 LEU 102 1HD2 LEU 102 4.269 -10.214 29.765 833 HD23 LEU 102 2HD2 LEU 102 4.763 -10.863 28.201 834 H LYS 103 H LYS 103 4.476 -6.246 31.886 835 HA LYS 103 HA LYS 103 5.204 -3.742 31.003 836 HB2 LYS 103 2HB LYS 103 4.839 -4.807 33.800 837 HB3 LYS 103 3HB LYS 103 5.144 -3.105 33.476 838 HG2 LYS 103 2HG LYS 103 2.979 -4.204 31.868 839 HG3 LYS 103 3HG LYS 103 2.683 -4.303 33.605 840 HD2 LYS 103 2HD LYS 103 3.569 -1.803 33.516 841 HD3 LYS 103 3HD LYS 103 2.984 -1.919 31.854 842 HE2 LYS 103 2HE LYS 103 0.791 -2.664 32.720 843 HE3 LYS 103 3HE LYS 103 1.390 -2.438 34.363 844 HZ1 LYS 103 3HZ LYS 103 1.849 -0.097 32.867 845 HZ2 LYS 103 1HZ LYS 103 0.886 -0.301 34.243 846 HZ3 LYS 103 2HZ LYS 103 0.224 -0.540 32.704 847 H LYS 104 H LYS 104 7.136 -6.113 32.700 848 HA LYS 104 HA LYS 104 9.287 -4.363 33.355 849 HB2 LYS 104 2HB LYS 104 8.762 -7.269 33.466 850 HB3 LYS 104 3HB LYS 104 10.453 -6.812 33.312 851 HG2 LYS 104 2HG LYS 104 10.219 -6.896 35.587 852 HG3 LYS 104 3HG LYS 104 9.896 -5.188 35.278 853 HD2 LYS 104 2HD LYS 104 7.605 -7.086 35.242 854 HD3 LYS 104 3HD LYS 104 8.303 -6.648 36.803 855 HE2 LYS 104 2HE LYS 104 7.747 -4.440 34.911 856 HE3 LYS 104 3HE LYS 104 6.352 -5.244 35.628 857 HZ1 LYS 104 3HZ LYS 104 6.682 -3.885 37.343 858 HZ2 LYS 104 1HZ LYS 104 8.229 -3.439 36.824 859 HZ3 LYS 104 2HZ LYS 104 8.017 -4.847 37.737 860 H LYS 105 H LYS 105 8.624 -6.562 30.670 861 HA LYS 105 HA LYS 105 11.157 -6.157 29.407 862 HB2 LYS 105 2HB LYS 105 8.583 -7.213 28.224 863 HB3 LYS 105 3HB LYS 105 10.188 -7.375 27.525 864 HG2 LYS 105 2HG LYS 105 9.690 -8.438 30.262 865 HG3 LYS 105 3HG LYS 105 9.103 -9.340 28.862 866 HD2 LYS 105 2HD LYS 105 11.267 -9.651 28.015 867 HD3 LYS 105 3HD LYS 105 11.943 -8.378 29.035 868 HE2 LYS 105 2HE LYS 105 11.141 -9.922 30.984 869 HE3 LYS 105 3HE LYS 105 11.168 -11.175 29.745 870 HZ1 LYS 105 3HZ LYS 105 13.416 -9.585 30.805 871 HZ2 LYS 105 1HZ LYS 105 13.522 -10.329 29.289 872 HZ3 LYS 105 2HZ LYS 105 13.273 -11.266 30.675 873 H LEU 106 H LEU 106 7.985 -4.682 29.178 874 HA LEU 106 HA LEU 106 8.627 -3.144 26.833 875 HB2 LEU 106 2HB LEU 106 6.341 -3.788 27.227 876 HB3 LEU 106 3HB LEU 106 6.346 -2.984 28.795 877 HG LEU 106 HG LEU 106 6.882 -1.312 26.402 878 HD11 LEU 106 1HD1 LEU 106 4.413 -1.036 26.090 879 HD12 LEU 106 2HD1 LEU 106 4.191 -2.483 27.074 880 HD13 LEU 106 3HD1 LEU 106 5.063 -2.583 25.544 881 HD21 LEU 106 3HD2 LEU 106 6.266 0.370 27.761 882 HD22 LEU 106 1HD2 LEU 106 6.574 -0.801 29.043 883 HD23 LEU 106 2HD2 LEU 106 4.929 -0.544 28.461 884 H SER 107 H SER 107 8.636 -2.646 30.306 885 HA SER 107 HA SER 107 8.820 0.111 30.450 886 HB2 SER 107 2HB SER 107 8.651 -0.862 32.538 887 HB3 SER 107 3HB SER 107 9.817 -2.129 32.160 888 HG SER 107 HG SER 107 10.332 0.588 32.773 889 H ARG 108 H ARG 108 11.417 -2.259 29.972 890 HA ARG 108 HA ARG 108 13.505 -0.332 29.887 891 HB2 ARG 108 2HB ARG 108 14.855 -2.197 28.937 892 HB3 ARG 108 3HB ARG 108 14.030 -2.617 30.432 893 HG2 ARG 108 2HG ARG 108 12.316 -3.798 29.177 894 HG3 ARG 108 3HG ARG 108 13.100 -3.344 27.662 895 HD2 ARG 108 2HD ARG 108 14.296 -5.051 29.843 896 HD3 ARG 108 3HD ARG 108 13.668 -5.630 28.301 897 HE ARG 108 HE ARG 108 15.600 -3.738 27.710 898 HH11 ARG 108 1HH1 ARG 108 15.428 -6.820 29.320 899 HH12 ARG 108 2HH1 ARG 108 17.053 -7.267 28.919 900 HH21 ARG 108 1HH2 ARG 108 17.741 -4.316 27.176 901 HH22 ARG 108 2HH2 ARG 108 18.368 -5.842 27.700 902 H VAL 109 H VAL 109 11.485 -1.871 27.446 903 HA VAL 109 HA VAL 109 12.848 -1.086 25.147 904 HB VAL 109 HB VAL 109 9.867 -1.387 25.537 905 HG11 VAL 109 1HG1 VAL 109 11.383 -0.477 23.284 906 HG12 VAL 109 2HG1 VAL 109 10.620 -2.023 22.905 907 HG13 VAL 109 3HG1 VAL 109 9.638 -0.663 23.451 908 HG21 VAL 109 3HG2 VAL 109 11.338 -3.467 24.105 909 HG22 VAL 109 1HG2 VAL 109 11.805 -3.300 25.797 910 HG23 VAL 109 2HG2 VAL 109 10.121 -3.607 25.374 911 H VAL 110 H VAL 110 10.239 0.598 26.887 912 HA VAL 110 HA VAL 110 10.053 2.828 25.218 913 HB VAL 110 HB VAL 110 9.583 2.715 28.201 914 HG11 VAL 110 1HG1 VAL 110 8.079 4.633 27.786 915 HG12 VAL 110 2HG1 VAL 110 9.771 5.002 27.445 916 HG13 VAL 110 3HG1 VAL 110 8.651 4.688 26.119 917 HG21 VAL 110 3HG2 VAL 110 7.918 1.970 25.835 918 HG22 VAL 110 1HG2 VAL 110 8.130 1.127 27.370 919 HG23 VAL 110 2HG2 VAL 110 7.141 2.586 27.294 920 H ASN 111 H ASN 111 12.254 2.110 27.860 921 HA ASN 111 HA ASN 111 13.339 4.704 28.145 922 HB2 ASN 111 2HB ASN 111 14.418 1.967 28.825 923 HB3 ASN 111 3HB ASN 111 15.283 3.454 29.201 924 HD21 ASN 111 1HD2 ASN 111 14.277 1.473 31.026 925 HD22 ASN 111 2HD2 ASN 111 13.152 2.276 32.063 926 H ILE 112 H ILE 112 14.304 1.903 26.205 927 HA ILE 112 HA ILE 112 16.720 2.788 25.212 928 HB ILE 112 HB ILE 112 14.606 1.236 23.714 929 HG12 ILE 112 2HG1 ILE 112 17.028 0.072 25.053 930 HG13 ILE 112 3HG1 ILE 112 15.568 0.390 25.984 931 HG21 ILE 112 1HG2 ILE 112 16.104 1.953 22.076 932 HG22 ILE 112 2HG2 ILE 112 17.495 1.791 23.145 933 HG23 ILE 112 3HG2 ILE 112 16.696 0.351 22.515 934 HD11 ILE 112 3HD1 ILE 112 15.027 -1.695 25.398 935 HD12 ILE 112 1HD1 ILE 112 14.554 -0.960 23.867 936 HD13 ILE 112 2HD1 ILE 112 16.142 -1.711 24.032 937 H LEU 113 H LEU 113 13.462 3.505 24.016 938 HA LEU 113 HA LEU 113 14.103 4.885 21.704 939 HB2 LEU 113 2HB LEU 113 11.871 5.403 23.662 940 HB3 LEU 113 3HB LEU 113 11.962 6.097 22.045 941 HG LEU 113 HG LEU 113 11.813 3.138 22.601 942 HD11 LEU 113 1HD1 LEU 113 9.450 3.418 21.756 943 HD12 LEU 113 2HD1 LEU 113 9.650 5.148 22.035 944 HD13 LEU 113 3HD1 LEU 113 9.767 4.019 23.384 945 HD21 LEU 113 3HD2 LEU 113 12.267 4.746 20.240 946 HD22 LEU 113 1HD2 LEU 113 10.832 3.734 20.072 947 HD23 LEU 113 2HD2 LEU 113 12.389 2.999 20.456 948 H LYS 114 H LYS 114 14.135 5.982 25.045 949 HA LYS 114 HA LYS 114 14.574 8.735 24.425 950 HB2 LYS 114 2HB LYS 114 15.297 7.369 27.013 951 HB3 LYS 114 3HB LYS 114 14.873 9.057 26.761 952 HG2 LYS 114 2HG LYS 114 12.604 8.003 25.927 953 HG3 LYS 114 3HG LYS 114 13.124 6.666 26.955 954 HD2 LYS 114 2HD LYS 114 13.098 9.503 27.941 955 HD3 LYS 114 3HD LYS 114 11.661 8.481 28.014 956 HE2 LYS 114 2HE LYS 114 12.879 6.846 29.349 957 HE3 LYS 114 3HE LYS 114 14.338 7.830 29.244 958 HZ1 LYS 114 3HZ LYS 114 13.443 9.447 30.619 959 HZ2 LYS 114 1HZ LYS 114 12.895 8.014 31.331 960 HZ3 LYS 114 2HZ LYS 114 11.849 8.937 30.375 961 H GLU 115 H GLU 115 16.621 5.950 24.931 962 HA GLU 115 HA GLU 115 19.050 7.448 25.209 963 HB2 GLU 115 2HB GLU 115 18.476 4.530 24.710 964 HB3 GLU 115 3HB GLU 115 20.110 5.171 24.804 965 HG2 GLU 115 2HG GLU 115 18.028 5.192 26.974 966 HG3 GLU 115 3HG GLU 115 19.507 4.234 26.923 967 H ARG 116 H ARG 116 17.534 5.589 22.590 968 HA ARG 116 HA ARG 116 19.605 6.238 20.710 969 HB2 ARG 116 2HB ARG 116 16.854 5.166 20.087 970 HB3 ARG 116 3HB ARG 116 18.308 5.025 19.108 971 HG2 ARG 116 2HG ARG 116 17.807 3.701 21.765 972 HG3 ARG 116 3HG ARG 116 17.813 2.921 20.181 973 HD2 ARG 116 2HD ARG 116 20.224 3.913 20.025 974 HD3 ARG 116 3HD ARG 116 20.096 3.992 21.782 975 HE ARG 116 HE ARG 116 19.354 1.447 21.189 976 HH11 ARG 116 1HH1 ARG 116 22.135 3.403 20.441 977 HH12 ARG 116 2HH1 ARG 116 23.225 2.058 20.374 978 HH21 ARG 116 1HH2 ARG 116 20.780 -0.332 21.104 979 HH22 ARG 116 2HH2 ARG 116 22.453 -0.065 20.751 980 H ASN 117 H ASN 117 16.811 7.801 21.866 981 HA ASN 117 HA ASN 117 15.706 9.701 21.276 982 HB2 ASN 117 2HB ASN 117 18.053 10.471 19.566 983 HB3 ASN 117 3HB ASN 117 17.020 11.499 20.555 984 HD21 ASN 117 1HD2 ASN 117 19.953 9.937 20.361 985 HD22 ASN 117 2HD2 ASN 117 20.423 10.043 22.020 986 H ILE 118 H ILE 118 14.934 7.565 19.787 987 HA ILE 118 HA ILE 118 15.094 7.959 16.985 988 HB ILE 118 HB ILE 118 12.916 6.493 18.473 989 HG12 ILE 118 2HG1 ILE 118 15.163 5.730 19.176 990 HG13 ILE 118 3HG1 ILE 118 14.294 4.493 18.275 991 HG21 ILE 118 1HG2 ILE 118 13.952 6.353 15.651 992 HG22 ILE 118 2HG2 ILE 118 12.904 5.127 16.363 993 HG23 ILE 118 3HG2 ILE 118 12.329 6.785 16.190 994 HD11 ILE 118 3HD1 ILE 118 16.460 6.281 17.197 995 HD12 ILE 118 1HD1 ILE 118 16.620 4.575 17.614 996 HD13 ILE 118 2HD1 ILE 118 15.580 5.063 16.275 997 H PHE 119 H PHE 119 12.210 8.263 19.064 998 HA PHE 119 HA PHE 119 10.937 9.984 17.131 999 HB2 PHE 119 2HB PHE 119 9.948 9.361 19.913 1000 HB3 PHE 119 3HB PHE 119 9.001 9.853 18.512 1001 HD1 PHE 119 HD1 PHE 119 9.779 8.127 16.396 1002 HD2 PHE 119 HD2 PHE 119 9.379 7.233 20.539 1003 HE1 PHE 119 HE1 PHE 119 9.370 5.764 15.844 1004 HE2 PHE 119 HE2 PHE 119 8.970 4.869 19.993 1005 HZ PHE 119 HZ PHE 119 8.966 4.132 17.643 1006 H SER 120 H SER 120 9.931 12.060 17.834 1007 HA SER 120 HA SER 120 11.957 13.718 19.059 1008 HB2 SER 120 2HB SER 120 9.426 14.212 17.542 1009 HB3 SER 120 3HB SER 120 10.080 15.506 18.545 1010 HG SER 120 HG SER 120 11.323 14.185 16.371 1011 H LYS 121 H LYS 121 10.881 15.628 20.438 1012 HA LYS 121 HA LYS 121 10.207 14.484 22.921 1013 HB2 LYS 121 2HB LYS 121 11.280 16.777 22.394 1014 HB3 LYS 121 3HB LYS 121 9.627 17.346 22.207 1015 HG2 LYS 121 2HG LYS 121 10.208 17.867 24.411 1016 HG3 LYS 121 3HG LYS 121 9.206 16.419 24.535 1017 HD2 LYS 121 2HD LYS 121 11.089 16.147 25.989 1018 HD3 LYS 121 3HD LYS 121 11.304 15.065 24.610 1019 HE2 LYS 121 2HE LYS 121 12.998 16.356 23.699 1020 HE3 LYS 121 3HE LYS 121 12.493 17.809 24.561 1021 HZ1 LYS 121 3HZ LYS 121 14.439 15.950 25.308 1022 HZ2 LYS 121 1HZ LYS 121 13.188 15.853 26.442 1023 HZ3 LYS 121 2HZ LYS 121 13.945 17.335 26.143 1024 H GLN 122 H GLN 122 8.249 16.053 20.429 1025 HA GLN 122 HA GLN 122 5.827 16.174 21.805 1026 HB2 GLN 122 2HB GLN 122 6.489 15.922 18.881 1027 HB3 GLN 122 3HB GLN 122 4.824 16.001 19.442 1028 HG2 GLN 122 2HG GLN 122 6.852 18.086 20.169 1029 HG3 GLN 122 3HG GLN 122 5.904 18.167 18.685 1030 HE21 GLN 122 1HE2 GLN 122 5.997 19.825 21.187 1031 HE22 GLN 122 2HE2 GLN 122 4.350 19.930 21.697 1032 H VAL 123 H VAL 123 7.365 13.519 20.103 1033 HA VAL 123 HA VAL 123 5.065 11.797 20.254 1034 HB VAL 123 HB VAL 123 7.941 11.114 19.627 1035 HG11 VAL 123 1HG1 VAL 123 6.767 9.149 18.462 1036 HG12 VAL 123 2HG1 VAL 123 6.931 9.094 20.218 1037 HG13 VAL 123 3HG1 VAL 123 5.389 9.544 19.489 1038 HG21 VAL 123 3HG2 VAL 123 7.264 11.181 17.294 1039 HG22 VAL 123 1HG2 VAL 123 5.625 11.631 17.765 1040 HG23 VAL 123 2HG2 VAL 123 6.963 12.740 18.063 1041 H VAL 124 H VAL 124 8.262 11.836 21.830 1042 HA VAL 124 HA VAL 124 7.879 9.683 23.545 1043 HB VAL 124 HB VAL 124 9.496 12.185 24.050 1044 HG11 VAL 124 1HG1 VAL 124 9.636 9.473 25.364 1045 HG12 VAL 124 2HG1 VAL 124 10.775 10.797 25.621 1046 HG13 VAL 124 3HG1 VAL 124 9.091 10.972 26.116 1047 HG21 VAL 124 3HG2 VAL 124 9.903 10.634 21.979 1048 HG22 VAL 124 1HG2 VAL 124 11.262 11.209 22.945 1049 HG23 VAL 124 2HG2 VAL 124 10.646 9.573 23.177 1050 H ASN 125 H ASN 125 7.209 13.129 24.101 1051 HA ASN 125 HA ASN 125 6.355 12.964 26.741 1052 HB2 ASN 125 2HB ASN 125 5.858 14.850 24.488 1053 HB3 ASN 125 3HB ASN 125 4.814 14.973 25.901 1054 HD21 ASN 125 1HD2 ASN 125 8.245 14.156 25.645 1055 HD22 ASN 125 2HD2 ASN 125 8.808 15.460 26.629 1056 H ASP 126 H ASP 126 4.740 12.063 23.800 1057 HA ASP 126 HA ASP 126 2.108 11.940 24.919 1058 HB2 ASP 126 2HB ASP 126 2.683 12.202 22.456 1059 HB3 ASP 126 3HB ASP 126 3.079 10.485 22.460 1060 H ILE 127 H ILE 127 4.686 9.603 24.300 1061 HA ILE 127 HA ILE 127 3.350 7.247 24.879 1062 HB ILE 127 HB ILE 127 6.218 7.924 25.541 1063 HG12 ILE 127 2HG1 ILE 127 5.258 6.385 23.143 1064 HG13 ILE 127 3HG1 ILE 127 5.329 8.143 23.114 1065 HG21 ILE 127 1HG2 ILE 127 5.898 5.198 24.900 1066 HG22 ILE 127 2HG2 ILE 127 6.359 5.905 26.447 1067 HG23 ILE 127 3HG2 ILE 127 4.660 5.597 26.090 1068 HD11 ILE 127 3HD1 ILE 127 7.396 7.802 22.338 1069 HD12 ILE 127 1HD1 ILE 127 7.801 7.544 24.035 1070 HD13 ILE 127 2HD1 ILE 127 7.480 6.163 22.984 1071 H GLU 128 H GLU 128 5.037 9.438 27.111 1072 HA GLU 128 HA GLU 128 4.597 7.933 29.444 1073 HB2 GLU 128 2HB GLU 128 5.010 10.904 29.078 1074 HB3 GLU 128 3HB GLU 128 5.016 10.092 30.637 1075 HG2 GLU 128 2HG GLU 128 6.852 9.144 28.492 1076 HG3 GLU 128 3HG GLU 128 7.248 10.605 29.395 1077 H ARG 129 H ARG 129 2.766 10.629 28.031 1078 HA ARG 129 HA ARG 129 0.824 10.884 30.006 1079 HB2 ARG 129 2HB ARG 129 0.547 11.306 27.024 1080 HB3 ARG 129 3HB ARG 129 -0.590 11.884 28.235 1081 HG2 ARG 129 2HG ARG 129 2.274 12.665 28.462 1082 HG3 ARG 129 3HG ARG 129 1.256 13.458 27.258 1083 HD2 ARG 129 2HD ARG 129 0.326 13.207 30.089 1084 HD3 ARG 129 3HD ARG 129 1.468 14.474 29.643 1085 HE ARG 129 HE ARG 129 -0.629 14.589 27.828 1086 HH11 ARG 129 1HH1 ARG 129 -0.134 15.007 31.249 1087 HH12 ARG 129 2HH1 ARG 129 -1.423 16.151 31.428 1088 HH21 ARG 129 1HH2 ARG 129 -2.329 16.094 28.051 1089 HH22 ARG 129 2HH2 ARG 129 -2.671 16.768 29.609 1090 H SER 130 H SER 130 0.936 8.738 27.197 1091 HA SER 130 HA SER 130 -1.616 7.689 27.264 1092 HB2 SER 130 2HB SER 130 -0.829 5.995 25.888 1093 HB3 SER 130 3HB SER 130 0.422 7.218 25.670 1094 HG SER 130 HG SER 130 1.531 5.403 26.118 1095 H LEU 131 H LEU 131 1.204 6.767 29.185 1096 HA LEU 131 HA LEU 131 -0.181 4.629 30.521 1097 HB2 LEU 131 2HB LEU 131 2.333 5.887 31.539 1098 HB3 LEU 131 3HB LEU 131 1.810 4.207 31.638 1099 HG LEU 131 HG LEU 131 2.895 5.636 29.215 1100 HD11 LEU 131 1HD1 LEU 131 4.221 4.431 31.294 1101 HD12 LEU 131 2HD1 LEU 131 4.862 4.692 29.672 1102 HD13 LEU 131 3HD1 LEU 131 4.124 3.146 30.090 1103 HD21 LEU 131 3HD2 LEU 131 1.083 4.124 28.573 1104 HD22 LEU 131 1HD2 LEU 131 1.860 2.813 29.460 1105 HD23 LEU 131 2HD2 LEU 131 2.651 3.510 28.046 1106 H ALA 132 H ALA 132 0.808 7.931 31.327 1107 HA ALA 132 HA ALA 132 0.132 8.017 34.003 1108 HB1 ALA 132 1HB ALA 132 0.273 10.301 33.852 1109 HB2 ALA 132 2HB ALA 132 1.142 9.823 32.394 1110 HB3 ALA 132 3HB ALA 132 -0.534 10.359 32.285 1111 H ALA 133 H ALA 133 -1.963 8.378 31.179 1112 HA ALA 133 HA ALA 133 -4.306 8.964 32.727 1113 HB1 ALA 133 1HB ALA 133 -4.180 9.824 30.496 1114 HB2 ALA 133 2HB ALA 133 -3.951 8.205 29.832 1115 HB3 ALA 133 3HB ALA 133 -5.494 8.650 30.561 1116 H ALA 134 H ALA 134 -2.715 6.097 31.614 1117 HA ALA 134 HA ALA 134 -4.934 4.330 31.744 1118 HB1 ALA 134 1HB ALA 134 -2.363 4.134 30.840 1119 HB2 ALA 134 2HB ALA 134 -2.324 3.137 32.295 1120 HB3 ALA 134 3HB ALA 134 -3.487 2.787 31.016 1121 H LEU 135 H LEU 135 -2.888 5.744 34.125 1122 HA LEU 135 HA LEU 135 -3.033 3.835 36.166 1123 HB2 LEU 135 2HB LEU 135 -1.533 5.758 36.227 1124 HB3 LEU 135 3HB LEU 135 -2.915 6.841 36.377 1125 HG LEU 135 HG LEU 135 -3.423 5.656 38.565 1126 HD11 LEU 135 1HD1 LEU 135 -1.634 4.461 39.639 1127 HD12 LEU 135 2HD1 LEU 135 -0.580 4.707 38.247 1128 HD13 LEU 135 3HD1 LEU 135 -2.006 3.680 38.102 1129 HD21 LEU 135 3HD2 LEU 135 -2.617 7.651 39.165 1130 HD22 LEU 135 1HD2 LEU 135 -1.357 7.613 37.930 1131 HD23 LEU 135 2HD2 LEU 135 -1.101 6.804 39.477 1132 H GLU 136 H GLU 136 -5.357 6.161 35.019 1133 HA GLU 136 HA GLU 136 -7.077 5.974 37.311 1134 HB2 GLU 136 2HB GLU 136 -6.986 7.966 35.810 1135 HB3 GLU 136 3HB GLU 136 -7.724 6.997 34.543 1136 HG2 GLU 136 2HG GLU 136 -9.472 8.233 35.486 1137 HG3 GLU 136 3HG GLU 136 -9.642 6.607 36.143 1138 H HIS 137 H HIS 137 -8.870 4.733 37.599 1139 HA HIS 137 HA HIS 137 -9.648 2.902 35.440 1140 HB2 HIS 137 2HB HIS 137 -8.077 1.843 37.178 1141 HB3 HIS 137 3HB HIS 137 -9.435 1.960 38.293 1142 HD1 HIS 137 HD1 HIS 137 -8.463 0.293 35.043 1143 HD2 HIS 137 HD2 HIS 137 -11.310 -0.026 38.052 1144 HE1 HIS 137 HE1 HIS 137 -9.701 -1.845 34.573 1145 H HIS 138 H HIS 138 -11.650 3.603 35.004 1146 HA HIS 138 HA HIS 138 -13.400 4.818 36.832 1147 HB2 HIS 138 2HB HIS 138 -15.154 4.357 35.096 1148 HB3 HIS 138 3HB HIS 138 -13.721 5.175 34.480 1149 HD1 HIS 138 HD1 HIS 138 -13.648 4.353 32.123 1150 HD2 HIS 138 HD2 HIS 138 -14.117 1.263 34.861 1151 HE1 HIS 138 HE1 HIS 138 -13.447 2.234 30.785 Start of MODEL 3 1 H ALA 2 H ALA 2 3.523 2.028 -1.175 2 HA ALA 2 HA ALA 2 2.241 0.417 0.871 3 HB1 ALA 2 1HB ALA 2 0.918 1.907 -0.587 4 HB2 ALA 2 2HB ALA 2 1.376 0.917 -1.973 5 HB3 ALA 2 3HB ALA 2 0.401 0.223 -0.678 6 H PHE 3 H PHE 3 2.400 -1.723 1.053 7 HA PHE 3 HA PHE 3 3.256 -3.303 -1.263 8 HB2 PHE 3 2HB PHE 3 5.194 -2.702 0.326 9 HB3 PHE 3 3HB PHE 3 4.434 -3.814 1.460 10 HD1 PHE 3 HD2 PHE 3 5.932 -3.568 -1.912 11 HD2 PHE 3 HD1 PHE 3 4.723 -6.131 1.264 12 HE1 PHE 3 HE2 PHE 3 7.068 -5.455 -3.008 13 HE2 PHE 3 HE1 PHE 3 5.859 -8.022 0.174 14 HZ PHE 3 HZ PHE 3 7.032 -7.686 -1.965 15 H SER 4 H SER 4 2.966 -5.676 -0.870 16 HA SER 4 HA SER 4 0.354 -6.288 -0.232 17 HB2 SER 4 2HB SER 4 2.828 -7.847 -0.668 18 HB3 SER 4 3HB SER 4 1.551 -8.682 0.216 19 HG SER 4 HG SER 4 0.623 -8.961 -1.635 20 H SER 5 H SER 5 -0.525 -5.755 1.680 21 HA SER 5 HA SER 5 0.803 -5.783 4.158 22 HB2 SER 5 2HB SER 5 -1.653 -5.828 5.041 23 HB3 SER 5 3HB SER 5 -1.096 -4.429 4.123 24 HG SER 5 HG SER 5 -2.607 -6.621 3.136 25 H GLU 6 H GLU 6 -0.650 -8.291 2.313 26 HA GLU 6 HA GLU 6 -1.376 -10.108 4.306 27 HB2 GLU 6 2HB GLU 6 -1.030 -11.851 2.554 28 HB3 GLU 6 3HB GLU 6 -2.025 -10.501 2.028 29 HG2 GLU 6 2HG GLU 6 -0.166 -9.551 0.816 30 HG3 GLU 6 3HG GLU 6 0.903 -10.820 1.412 31 H GLN 7 H GLN 7 1.749 -9.411 2.850 32 HA GLN 7 HA GLN 7 3.137 -11.606 3.985 33 HB2 GLN 7 2HB GLN 7 3.929 -9.029 2.700 34 HB3 GLN 7 3HB GLN 7 5.145 -9.940 3.585 35 HG2 GLN 7 2HG GLN 7 3.478 -11.061 1.346 36 HG3 GLN 7 3HG GLN 7 5.102 -10.403 1.153 37 HE21 GLN 7 1HE2 GLN 7 4.531 -12.972 0.409 38 HE22 GLN 7 2HE2 GLN 7 5.323 -14.077 1.475 39 H PHE 8 H PHE 8 3.096 -8.155 4.887 40 HA PHE 8 HA PHE 8 4.611 -8.394 7.215 41 HB2 PHE 8 2HB PHE 8 4.004 -6.249 6.081 42 HB3 PHE 8 3HB PHE 8 2.377 -6.414 6.733 43 HD1 PHE 8 HD2 PHE 8 5.638 -7.105 8.372 44 HD2 PHE 8 HD1 PHE 8 2.167 -4.645 8.218 45 HE1 PHE 8 HE2 PHE 8 6.354 -5.972 10.435 46 HE2 PHE 8 HE1 PHE 8 2.878 -3.507 10.280 47 HZ PHE 8 HZ PHE 8 4.973 -4.170 11.392 48 H THR 9 H THR 9 1.144 -8.756 6.690 49 HA THR 9 HA THR 9 0.462 -8.999 9.444 50 HB THR 9 HB THR 9 -1.088 -10.012 7.053 51 HG1 THR 9 HG1 THR 9 -2.144 -7.967 7.211 52 HG21 THR 9 3HG2 THR 9 -2.277 -10.924 8.759 53 HG22 THR 9 1HG2 THR 9 -2.944 -9.294 8.855 54 HG23 THR 9 2HG2 THR 9 -1.651 -9.784 9.950 55 H THR 10 H THR 10 0.763 -11.403 6.829 56 HA THR 10 HA THR 10 0.274 -13.680 8.353 57 HB THR 10 HB THR 10 2.047 -13.373 5.924 58 HG1 THR 10 HG1 THR 10 -0.541 -14.513 6.007 59 HG21 THR 10 3HG2 THR 10 1.342 -15.905 5.754 60 HG22 THR 10 1HG2 THR 10 1.217 -15.762 7.506 61 HG23 THR 10 2HG2 THR 10 2.748 -15.422 6.701 62 H LYS 11 H LYS 11 3.282 -11.917 7.799 63 HA LYS 11 HA LYS 11 4.950 -13.799 9.138 64 HB2 LYS 11 2HB LYS 11 5.362 -10.892 8.426 65 HB3 LYS 11 3HB LYS 11 6.609 -11.909 9.137 66 HG2 LYS 11 2HG LYS 11 5.228 -12.632 6.573 67 HG3 LYS 11 3HG LYS 11 6.659 -11.600 6.620 68 HD2 LYS 11 2HD LYS 11 7.956 -13.348 7.634 69 HD3 LYS 11 3HD LYS 11 6.525 -14.365 7.819 70 HE2 LYS 11 2HE LYS 11 7.849 -15.106 5.925 71 HE3 LYS 11 3HE LYS 11 6.299 -14.468 5.378 72 HZ1 LYS 11 3HZ LYS 11 7.489 -12.332 4.943 73 HZ2 LYS 11 1HZ LYS 11 7.960 -13.616 3.947 74 HZ3 LYS 11 2HZ LYS 11 8.946 -13.140 5.236 75 H LEU 12 H LEU 12 3.440 -10.735 10.098 76 HA LEU 12 HA LEU 12 4.535 -10.565 12.668 77 HB2 LEU 12 2HB LEU 12 2.107 -9.465 11.339 78 HB3 LEU 12 3HB LEU 12 2.257 -9.315 13.089 79 HG LEU 12 HG LEU 12 4.306 -8.286 11.132 80 HD11 LEU 12 1HD1 LEU 12 2.672 -6.810 10.630 81 HD12 LEU 12 2HD1 LEU 12 3.196 -6.067 12.140 82 HD13 LEU 12 3HD1 LEU 12 1.781 -7.119 12.121 83 HD21 LEU 12 3HD2 LEU 12 5.539 -8.132 12.981 84 HD22 LEU 12 1HD2 LEU 12 4.170 -8.535 14.018 85 HD23 LEU 12 2HD2 LEU 12 4.426 -6.867 13.504 86 H ASN 13 H ASN 13 1.842 -12.408 11.418 87 HA ASN 13 HA ASN 13 0.780 -13.107 13.987 88 HB2 ASN 13 2HB ASN 13 0.228 -13.852 11.158 89 HB3 ASN 13 3HB ASN 13 -0.293 -14.980 12.407 90 HD21 ASN 13 1HD2 ASN 13 -1.254 -12.462 10.572 91 HD22 ASN 13 2HD2 ASN 13 -2.518 -11.831 11.567 92 H THR 14 H THR 14 2.995 -14.574 11.680 93 HA THR 14 HA THR 14 3.303 -16.923 13.397 94 HB THR 14 HB THR 14 3.051 -17.278 10.959 95 HG1 THR 14 HG1 THR 14 4.753 -18.767 10.841 96 HG21 THR 14 3HG2 THR 14 5.655 -16.677 10.053 97 HG22 THR 14 1HG2 THR 14 5.043 -15.224 10.842 98 HG23 THR 14 2HG2 THR 14 4.132 -15.961 9.524 99 H LEU 15 H LEU 15 4.364 -14.083 13.863 100 HA LEU 15 HA LEU 15 7.206 -14.274 13.710 101 HB2 LEU 15 2HB LEU 15 5.224 -12.352 14.641 102 HB3 LEU 15 3HB LEU 15 6.670 -12.392 15.648 103 HG LEU 15 HG LEU 15 6.588 -11.859 12.678 104 HD11 LEU 15 1HD1 LEU 15 6.870 -9.622 13.133 105 HD12 LEU 15 2HD1 LEU 15 7.495 -9.918 14.755 106 HD13 LEU 15 3HD1 LEU 15 5.772 -10.105 14.427 107 HD21 LEU 15 3HD2 LEU 15 8.765 -12.500 14.547 108 HD22 LEU 15 1HD2 LEU 15 9.041 -11.090 13.524 109 HD23 LEU 15 2HD2 LEU 15 8.689 -12.655 12.791 110 H GLU 16 H GLU 16 8.557 -15.291 15.032 111 HA GLU 16 HA GLU 16 7.523 -16.266 17.604 112 HB2 GLU 16 2HB GLU 16 8.860 -17.593 15.556 113 HB3 GLU 16 3HB GLU 16 10.092 -17.356 16.787 114 HG2 GLU 16 2HG GLU 16 7.537 -18.311 17.834 115 HG3 GLU 16 3HG GLU 16 8.316 -19.418 16.705 116 H ASP 17 H ASP 17 8.907 -16.214 19.465 117 HA ASP 17 HA ASP 17 10.358 -13.737 19.668 118 HB2 ASP 17 2HB ASP 17 8.852 -14.978 21.446 119 HB3 ASP 17 3HB ASP 17 10.367 -15.780 21.852 120 H SER 18 H SER 18 12.133 -14.057 18.278 121 HA SER 18 HA SER 18 14.339 -15.473 19.536 122 HB2 SER 18 2HB SER 18 13.150 -16.234 16.899 123 HB3 SER 18 3HB SER 18 14.896 -16.357 17.110 124 HG SER 18 HG SER 18 13.203 -18.148 17.790 125 H GLN 19 H GLN 19 16.391 -14.741 18.875 126 HA GLN 19 HA GLN 19 16.554 -12.020 18.232 127 HB2 GLN 19 2HB GLN 19 18.511 -14.253 18.482 128 HB3 GLN 19 3HB GLN 19 19.048 -12.774 17.695 129 HG2 GLN 19 2HG GLN 19 17.736 -12.762 20.392 130 HG3 GLN 19 3HG GLN 19 19.472 -12.989 20.186 131 HE21 GLN 19 1HE2 GLN 19 16.798 -10.782 19.725 132 HE22 GLN 19 2HE2 GLN 19 17.751 -9.345 19.619 133 H GLU 20 H GLU 20 17.009 -14.908 16.237 134 HA GLU 20 HA GLU 20 17.716 -13.428 13.890 135 HB2 GLU 20 2HB GLU 20 16.986 -16.304 14.396 136 HB3 GLU 20 3HB GLU 20 17.255 -15.693 12.770 137 HG2 GLU 20 2HG GLU 20 19.510 -15.267 13.171 138 HG3 GLU 20 3HG GLU 20 19.305 -15.330 14.920 139 H SER 21 H SER 21 14.762 -14.740 15.242 140 HA SER 21 HA SER 21 13.122 -14.570 12.976 141 HB2 SER 21 2HB SER 21 12.485 -15.747 15.060 142 HB3 SER 21 3HB SER 21 12.324 -14.191 15.873 143 HG SER 21 HG SER 21 10.457 -15.428 14.594 144 H ILE 22 H ILE 22 13.650 -12.218 15.593 145 HA ILE 22 HA ILE 22 11.973 -10.214 14.543 146 HB ILE 22 HB ILE 22 14.379 -9.904 16.342 147 HG12 ILE 22 2HG1 ILE 22 12.616 -11.409 17.226 148 HG13 ILE 22 3HG1 ILE 22 12.784 -9.937 18.176 149 HG21 ILE 22 1HG2 ILE 22 12.190 -8.014 15.540 150 HG22 ILE 22 2HG2 ILE 22 13.086 -7.814 17.046 151 HG23 ILE 22 3HG2 ILE 22 13.936 -7.765 15.501 152 HD11 ILE 22 3HD1 ILE 22 10.636 -9.511 17.910 153 HD12 ILE 22 1HD1 ILE 22 10.836 -9.487 16.158 154 HD13 ILE 22 2HD1 ILE 22 10.464 -11.002 16.983 155 H SER 23 H SER 23 15.349 -11.003 13.995 156 HA SER 23 HA SER 23 16.010 -8.617 12.597 157 HB2 SER 23 2HB SER 23 17.570 -10.414 13.673 158 HB3 SER 23 3HB SER 23 17.416 -11.227 12.115 159 HG SER 23 HG SER 23 18.756 -8.904 12.781 160 H SER 24 H SER 24 14.772 -11.764 11.631 161 HA SER 24 HA SER 24 15.122 -11.518 8.859 162 HB2 SER 24 2HB SER 24 14.171 -13.554 8.833 163 HB3 SER 24 3HB SER 24 14.042 -13.419 10.587 164 HG SER 24 HG SER 24 11.962 -12.945 10.419 165 H ALA 25 H ALA 25 12.367 -10.659 10.928 166 HA ALA 25 HA ALA 25 10.804 -9.635 8.760 167 HB1 ALA 25 1HB ALA 25 9.953 -10.557 10.983 168 HB2 ALA 25 2HB ALA 25 10.368 -8.980 11.657 169 HB3 ALA 25 3HB ALA 25 9.179 -9.100 10.360 170 H SER 26 H SER 26 12.726 -8.167 11.360 171 HA SER 26 HA SER 26 12.180 -5.495 10.851 172 HB2 SER 26 2HB SER 26 14.150 -4.976 12.095 173 HB3 SER 26 3HB SER 26 13.503 -6.462 12.790 174 HG SER 26 HG SER 26 15.032 -7.522 11.249 175 H LYS 27 H LYS 27 14.579 -7.622 9.364 176 HA LYS 27 HA LYS 27 15.851 -5.641 7.801 177 HB2 LYS 27 2HB LYS 27 15.721 -8.629 7.729 178 HB3 LYS 27 3HB LYS 27 16.419 -7.770 6.362 179 HG2 LYS 27 2HG LYS 27 18.263 -7.152 7.514 180 HG3 LYS 27 3HG LYS 27 17.392 -6.997 9.042 181 HD2 LYS 27 2HD LYS 27 17.818 -9.124 9.636 182 HD3 LYS 27 3HD LYS 27 17.546 -9.737 8.003 183 HE2 LYS 27 2HE LYS 27 20.035 -8.327 8.963 184 HE3 LYS 27 3HE LYS 27 19.865 -10.067 8.741 185 HZ1 LYS 27 3HZ LYS 27 19.811 -7.964 6.654 186 HZ2 LYS 27 1HZ LYS 27 19.323 -9.558 6.364 187 HZ3 LYS 27 2HZ LYS 27 20.918 -9.232 6.821 188 H TRP 28 H TRP 28 13.097 -7.761 7.213 189 HA TRP 28 HA TRP 28 12.784 -7.215 4.470 190 HB2 TRP 28 2HB TRP 28 11.676 -9.100 5.597 191 HB3 TRP 28 3HB TRP 28 10.678 -7.970 6.507 192 HD1 TRP 28 HD1 TRP 28 11.380 -8.594 2.727 193 HE1 TRP 28 HE1 TRP 28 9.134 -8.441 1.480 194 HE3 TRP 28 HE3 TRP 28 8.325 -7.525 6.684 195 HZ2 TRP 28 HZ2 TRP 28 6.426 -7.934 2.092 196 HZ3 TRP 28 HZ3 TRP 28 5.919 -7.220 6.268 197 HH2 TRP 28 HH2 TRP 28 4.991 -7.420 4.018 198 H LEU 29 H LEU 29 11.413 -5.671 7.349 199 HA LEU 29 HA LEU 29 9.838 -3.802 5.873 200 HB2 LEU 29 2HB LEU 29 10.707 -3.939 8.748 201 HB3 LEU 29 3HB LEU 29 9.707 -2.632 8.116 202 HG LEU 29 HG LEU 29 8.866 -5.507 7.896 203 HD11 LEU 29 1HD1 LEU 29 8.374 -5.645 10.053 204 HD12 LEU 29 2HD1 LEU 29 7.530 -4.098 10.008 205 HD13 LEU 29 3HD1 LEU 29 9.267 -4.146 10.310 206 HD21 LEU 29 3HD2 LEU 29 7.634 -4.024 6.493 207 HD22 LEU 29 1HD2 LEU 29 7.440 -2.856 7.800 208 HD23 LEU 29 2HD2 LEU 29 6.614 -4.412 7.880 209 H LEU 30 H LEU 30 13.083 -3.836 7.170 210 HA LEU 30 HA LEU 30 13.686 -1.127 7.168 211 HB2 LEU 30 2HB LEU 30 15.066 -3.341 7.748 212 HB3 LEU 30 3HB LEU 30 15.760 -2.990 6.167 213 HG LEU 30 HG LEU 30 17.198 -2.043 7.801 214 HD11 LEU 30 1HD1 LEU 30 16.636 -0.674 5.775 215 HD12 LEU 30 2HD1 LEU 30 17.248 0.241 7.152 216 HD13 LEU 30 3HD1 LEU 30 15.522 0.243 6.789 217 HD21 LEU 30 3HD2 LEU 30 16.479 -0.547 9.539 218 HD22 LEU 30 1HD2 LEU 30 15.534 -2.032 9.642 219 HD23 LEU 30 2HD2 LEU 30 14.820 -0.580 8.940 220 H LEU 31 H LEU 31 13.630 -3.428 4.502 221 HA LEU 31 HA LEU 31 14.516 -1.376 2.627 222 HB2 LEU 31 2HB LEU 31 13.742 -4.216 2.008 223 HB3 LEU 31 3HB LEU 31 14.689 -3.114 1.011 224 HG LEU 31 HG LEU 31 15.597 -4.283 3.641 225 HD11 LEU 31 1HD1 LEU 31 16.561 -4.990 0.882 226 HD12 LEU 31 2HD1 LEU 31 15.325 -5.911 1.738 227 HD13 LEU 31 3HD1 LEU 31 16.950 -5.781 2.410 228 HD21 LEU 31 3HD2 LEU 31 16.789 -2.315 3.425 229 HD22 LEU 31 1HD2 LEU 31 16.812 -2.399 1.663 230 HD23 LEU 31 2HD2 LEU 31 17.841 -3.474 2.611 231 H GLN 32 H GLN 32 11.787 -1.647 4.069 232 HA GLN 32 HA GLN 32 10.143 -1.350 1.642 233 HB2 GLN 32 2HB GLN 32 9.366 -2.426 4.354 234 HB3 GLN 32 3HB GLN 32 8.206 -2.025 3.094 235 HG2 GLN 32 2HG GLN 32 10.383 -3.828 2.285 236 HG3 GLN 32 3HG GLN 32 9.250 -4.476 3.470 237 HE21 GLN 32 1HE2 GLN 32 9.824 -3.852 0.214 238 HE22 GLN 32 2HE2 GLN 32 8.247 -4.210 -0.394 239 H TYR 33 H TYR 33 11.591 0.788 2.668 240 HA TYR 33 HA TYR 33 10.137 2.378 4.496 241 HB2 TYR 33 2HB TYR 33 11.526 4.260 3.531 242 HB3 TYR 33 3HB TYR 33 12.438 2.893 4.161 243 HD1 TYR 33 HD1 TYR 33 10.985 4.136 0.951 244 HD2 TYR 33 HD2 TYR 33 14.131 2.002 2.861 245 HE1 TYR 33 HE1 TYR 33 12.144 3.925 -1.208 246 HE2 TYR 33 HE2 TYR 33 15.300 1.786 0.707 247 HH TYR 33 HH TYR 33 13.991 3.251 -2.249 248 H ARG 34 H ARG 34 9.700 1.689 1.164 249 HA ARG 34 HA ARG 34 8.443 3.997 0.241 250 HB2 ARG 34 2HB ARG 34 7.929 1.109 -0.487 251 HB3 ARG 34 3HB ARG 34 7.310 2.486 -1.389 252 HG2 ARG 34 2HG ARG 34 10.244 2.101 -0.904 253 HG3 ARG 34 3HG ARG 34 9.409 1.351 -2.266 254 HD2 ARG 34 2HD ARG 34 9.470 4.307 -1.668 255 HD3 ARG 34 3HD ARG 34 10.473 3.491 -2.867 256 HE ARG 34 HE ARG 34 7.979 2.810 -3.622 257 HH11 ARG 34 1HH1 ARG 34 9.462 5.865 -2.858 258 HH12 ARG 34 2HH1 ARG 34 8.454 6.772 -3.935 259 HH21 ARG 34 1HH2 ARG 34 6.645 3.993 -5.045 260 HH22 ARG 34 2HH2 ARG 34 6.851 5.707 -5.178 261 H ASP 35 H ASP 35 7.333 1.562 2.427 262 HA ASP 35 HA ASP 35 4.646 2.774 2.410 263 HB2 ASP 35 2HB ASP 35 4.138 0.481 3.652 264 HB3 ASP 35 3HB ASP 35 4.142 0.596 1.894 265 H ALA 36 H ALA 36 6.423 4.171 3.804 266 HA ALA 36 HA ALA 36 6.994 3.425 6.424 267 HB1 ALA 36 1HB ALA 36 8.077 5.354 6.195 268 HB2 ALA 36 2HB ALA 36 7.029 5.862 4.870 269 HB3 ALA 36 3HB ALA 36 6.549 6.164 6.540 270 HA PRO 37 HA PRO 37 2.901 5.559 7.839 271 HB2 PRO 37 2HB PRO 37 1.140 6.300 5.910 272 HB3 PRO 37 3HB PRO 37 2.422 7.365 6.501 273 HG2 PRO 37 2HG PRO 37 2.350 5.679 4.028 274 HG3 PRO 37 3HG PRO 37 2.927 7.344 4.231 275 HD2 PRO 37 2HD PRO 37 4.606 5.222 4.127 276 HD3 PRO 37 3HD PRO 37 4.954 6.668 5.095 277 H LYS 38 H LYS 38 2.707 3.565 4.933 278 HA LYS 38 HA LYS 38 0.213 2.379 5.405 279 HB2 LYS 38 2HB LYS 38 2.599 1.744 3.767 280 HB3 LYS 38 3HB LYS 38 1.514 0.403 4.111 281 HG2 LYS 38 2HG LYS 38 0.609 3.016 2.927 282 HG3 LYS 38 3HG LYS 38 1.070 1.607 1.969 283 HD2 LYS 38 2HD LYS 38 -0.754 0.364 2.691 284 HD3 LYS 38 3HD LYS 38 -0.989 1.361 4.129 285 HE2 LYS 38 2HE LYS 38 -1.841 3.170 2.805 286 HE3 LYS 38 3HE LYS 38 -1.432 2.330 1.309 287 HZ1 LYS 38 3HZ LYS 38 -3.348 1.242 1.366 288 HZ2 LYS 38 1HZ LYS 38 -3.828 2.232 2.652 289 HZ3 LYS 38 2HZ LYS 38 -3.106 0.734 2.961 290 H VAL 39 H VAL 39 3.469 1.131 6.159 291 HA VAL 39 HA VAL 39 2.589 -1.151 7.550 292 HB VAL 39 HB VAL 39 5.185 0.365 7.858 293 HG11 VAL 39 1HG1 VAL 39 5.700 -1.048 9.488 294 HG12 VAL 39 2HG1 VAL 39 4.120 -1.821 9.341 295 HG13 VAL 39 3HG1 VAL 39 5.479 -2.400 8.377 296 HG21 VAL 39 3HG2 VAL 39 4.667 -2.122 6.243 297 HG22 VAL 39 1HG2 VAL 39 4.596 -0.497 5.561 298 HG23 VAL 39 2HG2 VAL 39 6.107 -1.104 6.240 299 H ALA 40 H ALA 40 3.231 2.146 8.589 300 HA ALA 40 HA ALA 40 3.179 1.707 11.368 301 HB1 ALA 40 1HB ALA 40 2.567 4.162 11.462 302 HB2 ALA 40 2HB ALA 40 4.059 3.761 10.610 303 HB3 ALA 40 3HB ALA 40 2.597 4.139 9.699 304 H GLU 41 H GLU 41 0.605 2.606 9.090 305 HA GLU 41 HA GLU 41 -1.445 2.797 11.025 306 HB2 GLU 41 2HB GLU 41 -1.404 3.651 8.587 307 HB3 GLU 41 3HB GLU 41 -1.926 2.028 8.159 308 HG2 GLU 41 2HG GLU 41 -3.961 2.260 9.290 309 HG3 GLU 41 3HG GLU 41 -3.402 3.675 10.180 310 H MET 42 H MET 42 -0.514 0.171 8.816 311 HA MET 42 HA MET 42 -2.491 -1.654 9.629 312 HB2 MET 42 2HB MET 42 -0.750 -1.673 7.629 313 HB3 MET 42 3HB MET 42 0.185 -2.644 8.758 314 HG2 MET 42 2HG MET 42 -2.144 -3.916 8.962 315 HG3 MET 42 3HG MET 42 -2.322 -3.277 7.330 316 HE1 MET 42 3HE MET 42 0.430 -6.616 8.751 317 HE2 MET 42 1HE MET 42 0.519 -5.055 9.567 318 HE3 MET 42 2HE MET 42 -0.999 -5.952 9.545 319 H TRP 43 H TRP 43 0.904 -1.322 10.647 320 HA TRP 43 HA TRP 43 0.973 -3.414 12.477 321 HB2 TRP 43 2HB TRP 43 2.951 -2.113 11.700 322 HB3 TRP 43 3HB TRP 43 2.429 -0.773 12.716 323 HD1 TRP 43 HD1 TRP 43 3.801 -4.359 12.990 324 HE1 TRP 43 HE1 TRP 43 4.863 -4.643 15.318 325 HE3 TRP 43 HE3 TRP 43 2.440 0.116 15.054 326 HZ2 TRP 43 HZ2 TRP 43 5.092 -3.166 17.712 327 HZ3 TRP 43 HZ3 TRP 43 3.120 0.602 17.368 328 HH2 TRP 43 HH2 TRP 43 4.418 -1.006 18.668 329 H LYS 44 H LYS 44 0.201 0.013 13.052 330 HA LYS 44 HA LYS 44 -0.308 -0.211 15.799 331 HB2 LYS 44 2HB LYS 44 0.013 1.937 14.625 332 HB3 LYS 44 3HB LYS 44 -1.535 1.718 13.819 333 HG2 LYS 44 2HG LYS 44 -1.604 1.571 16.756 334 HG3 LYS 44 3HG LYS 44 -1.195 3.146 16.073 335 HD2 LYS 44 2HD LYS 44 -3.596 1.524 15.241 336 HD3 LYS 44 3HD LYS 44 -3.640 2.783 16.478 337 HE2 LYS 44 2HE LYS 44 -2.702 4.351 14.734 338 HE3 LYS 44 3HE LYS 44 -3.006 3.082 13.549 339 HZ1 LYS 44 3HZ LYS 44 -5.377 3.196 14.705 340 HZ2 LYS 44 1HZ LYS 44 -4.960 4.172 13.388 341 HZ3 LYS 44 2HZ LYS 44 -4.892 4.796 14.958 342 H GLU 45 H GLU 45 -2.696 0.016 13.153 343 HA GLU 45 HA GLU 45 -4.965 -0.512 14.638 344 HB2 GLU 45 2HB GLU 45 -4.227 -0.850 11.774 345 HB3 GLU 45 3HB GLU 45 -5.702 -1.626 12.332 346 HG2 GLU 45 2HG GLU 45 -6.373 0.633 13.260 347 HG3 GLU 45 3HG GLU 45 -5.030 1.297 12.331 348 H TYR 46 H TYR 46 -2.529 -2.711 13.466 349 HA TYR 46 HA TYR 46 -4.057 -5.093 13.919 350 HB2 TYR 46 2HB TYR 46 -2.343 -5.268 12.292 351 HB3 TYR 46 3HB TYR 46 -1.140 -4.569 13.370 352 HD1 TYR 46 HD2 TYR 46 -0.117 -5.913 15.132 353 HD2 TYR 46 HD1 TYR 46 -2.964 -7.601 12.459 354 HE1 TYR 46 HE2 TYR 46 0.571 -8.168 15.833 355 HE2 TYR 46 HE1 TYR 46 -2.285 -9.861 13.153 356 HH TYR 46 HH TYR 46 -1.022 -11.062 14.533 357 H MET 47 H MET 47 -1.671 -3.236 15.728 358 HA MET 47 HA MET 47 -1.405 -5.138 17.841 359 HB2 MET 47 2HB MET 47 -0.701 -2.205 17.673 360 HB3 MET 47 3HB MET 47 -0.310 -3.229 19.048 361 HG2 MET 47 2HG MET 47 0.569 -4.007 16.304 362 HG3 MET 47 3HG MET 47 1.464 -2.792 17.215 363 HE1 MET 47 3HE MET 47 3.729 -4.338 19.210 364 HE2 MET 47 1HE MET 47 2.663 -2.949 18.996 365 HE3 MET 47 2HE MET 47 2.361 -4.099 20.298 366 H LEU 48 H LEU 48 -3.625 -2.586 17.112 367 HA LEU 48 HA LEU 48 -4.697 -2.567 19.828 368 HB2 LEU 48 2HB LEU 48 -5.122 -0.889 17.388 369 HB3 LEU 48 3HB LEU 48 -6.303 -0.867 18.696 370 HG LEU 48 HG LEU 48 -4.372 -0.231 20.225 371 HD11 LEU 48 1HD1 LEU 48 -2.562 -0.894 18.719 372 HD12 LEU 48 2HD1 LEU 48 -2.443 0.807 19.167 373 HD13 LEU 48 3HD1 LEU 48 -3.055 0.356 17.576 374 HD21 LEU 48 3HD2 LEU 48 -5.478 1.531 18.066 375 HD22 LEU 48 1HD2 LEU 48 -4.377 2.164 19.289 376 HD23 LEU 48 2HD2 LEU 48 -5.917 1.453 19.773 377 H ARG 49 H ARG 49 -4.922 -4.945 18.163 378 HA ARG 49 HA ARG 49 -7.840 -5.054 17.782 379 HB2 ARG 49 2HB ARG 49 -5.557 -6.367 16.393 380 HB3 ARG 49 3HB ARG 49 -7.053 -7.280 16.544 381 HG2 ARG 49 2HG ARG 49 -8.252 -5.771 15.245 382 HG3 ARG 49 3HG ARG 49 -7.060 -4.489 15.466 383 HD2 ARG 49 2HD ARG 49 -6.362 -5.094 13.419 384 HD3 ARG 49 3HD ARG 49 -5.555 -6.407 14.275 385 HE ARG 49 HE ARG 49 -6.972 -7.863 13.245 386 HH11 ARG 49 1HH1 ARG 49 -8.411 -4.694 13.189 387 HH12 ARG 49 2HH1 ARG 49 -9.762 -5.182 12.220 388 HH21 ARG 49 1HH2 ARG 49 -8.746 -8.518 11.970 389 HH22 ARG 49 2HH2 ARG 49 -9.952 -7.358 11.528 390 HA PRO 50 HA PRO 50 -8.249 -7.874 21.123 391 HB2 PRO 50 2HB PRO 50 -10.355 -9.362 20.273 392 HB3 PRO 50 3HB PRO 50 -10.520 -7.692 20.830 393 HG2 PRO 50 2HG PRO 50 -10.376 -8.750 18.033 394 HG3 PRO 50 3HG PRO 50 -11.444 -7.504 18.705 395 HD2 PRO 50 2HD PRO 50 -9.231 -6.904 17.264 396 HD3 PRO 50 3HD PRO 50 -9.824 -5.869 18.579 397 H SER 51 H SER 51 -8.428 -9.392 17.906 398 HA SER 51 HA SER 51 -7.938 -12.014 18.589 399 HB2 SER 51 2HB SER 51 -8.387 -10.933 16.267 400 HB3 SER 51 3HB SER 51 -6.631 -10.809 16.164 401 HG SER 51 HG SER 51 -8.248 -13.109 16.295 402 H VAL 52 H VAL 52 -5.597 -9.409 18.087 403 HA VAL 52 HA VAL 52 -3.274 -10.994 18.359 404 HB VAL 52 HB VAL 52 -3.590 -8.052 18.975 405 HG11 VAL 52 1HG1 VAL 52 -1.527 -9.153 19.843 406 HG12 VAL 52 2HG1 VAL 52 -1.114 -9.576 18.180 407 HG13 VAL 52 3HG1 VAL 52 -1.224 -7.882 18.659 408 HG21 VAL 52 3HG2 VAL 52 -2.402 -8.177 16.540 409 HG22 VAL 52 1HG2 VAL 52 -3.495 -9.559 16.454 410 HG23 VAL 52 2HG2 VAL 52 -4.132 -7.949 16.792 411 H ASN 53 H ASN 53 -2.349 -11.864 20.093 412 HA ASN 53 HA ASN 53 -3.456 -11.268 22.725 413 HB2 ASN 53 2HB ASN 53 -1.489 -13.414 21.898 414 HB3 ASN 53 3HB ASN 53 -2.281 -13.281 23.465 415 HD21 ASN 53 1HD2 ASN 53 -4.709 -13.253 23.360 416 HD22 ASN 53 2HD2 ASN 53 -5.453 -14.353 22.255 417 H THR 54 H THR 54 -1.449 -11.802 24.433 418 HA THR 54 HA THR 54 0.029 -9.394 24.462 419 HB THR 54 HB THR 54 1.380 -10.821 26.274 420 HG1 THR 54 HG1 THR 54 -0.386 -12.265 27.171 421 HG21 THR 54 3HG2 THR 54 0.226 -9.568 27.732 422 HG22 THR 54 1HG2 THR 54 -1.314 -10.292 27.269 423 HG23 THR 54 2HG2 THR 54 -0.646 -8.960 26.325 424 H ARG 55 H ARG 55 0.995 -12.758 23.831 425 HA ARG 55 HA ARG 55 3.714 -12.378 23.484 426 HB2 ARG 55 2HB ARG 55 2.059 -14.511 23.296 427 HB3 ARG 55 3HB ARG 55 2.426 -14.253 21.596 428 HG2 ARG 55 2HG ARG 55 4.078 -15.721 22.195 429 HG3 ARG 55 3HG ARG 55 4.895 -14.175 22.437 430 HD2 ARG 55 2HD ARG 55 4.016 -14.354 24.859 431 HD3 ARG 55 3HD ARG 55 3.770 -16.058 24.478 432 HE ARG 55 HE ARG 55 6.272 -14.731 24.945 433 HH11 ARG 55 1HH1 ARG 55 4.720 -17.424 23.376 434 HH12 ARG 55 2HH1 ARG 55 6.152 -18.398 23.343 435 HH21 ARG 55 1HH2 ARG 55 8.164 -16.004 24.908 436 HH22 ARG 55 2HH2 ARG 55 8.110 -17.590 24.216 437 H ARG 56 H ARG 56 1.209 -12.372 20.944 438 HA ARG 56 HA ARG 56 2.821 -11.725 18.790 439 HB2 ARG 56 2HB ARG 56 -0.031 -10.849 19.282 440 HB3 ARG 56 3HB ARG 56 0.784 -10.845 17.723 441 HG2 ARG 56 2HG ARG 56 0.110 -13.253 19.398 442 HG3 ARG 56 3HG ARG 56 -0.647 -12.768 17.880 443 HD2 ARG 56 2HD ARG 56 0.823 -14.330 17.098 444 HD3 ARG 56 3HD ARG 56 1.838 -12.891 17.005 445 HE ARG 56 HE ARG 56 2.291 -13.925 19.502 446 HH11 ARG 56 1HH1 ARG 56 2.562 -15.090 16.233 447 HH12 ARG 56 2HH1 ARG 56 3.868 -16.171 16.588 448 HH21 ARG 56 1HH2 ARG 56 4.011 -15.344 19.982 449 HH22 ARG 56 2HH2 ARG 56 4.691 -16.315 18.721 450 H LYS 57 H LYS 57 1.260 -9.577 21.127 451 HA LYS 57 HA LYS 57 1.985 -7.149 19.882 452 HB2 LYS 57 2HB LYS 57 1.127 -7.919 22.648 453 HB3 LYS 57 3HB LYS 57 1.710 -6.289 22.339 454 HG2 LYS 57 2HG LYS 57 -0.072 -5.769 20.960 455 HG3 LYS 57 3HG LYS 57 -0.442 -7.464 20.632 456 HD2 LYS 57 2HD LYS 57 -1.040 -7.654 23.095 457 HD3 LYS 57 3HD LYS 57 -0.977 -5.890 23.141 458 HE2 LYS 57 2HE LYS 57 -2.701 -5.757 21.443 459 HE3 LYS 57 3HE LYS 57 -2.720 -7.513 21.289 460 HZ1 LYS 57 3HZ LYS 57 -4.543 -6.720 22.662 461 HZ2 LYS 57 1HZ LYS 57 -3.454 -5.989 23.730 462 HZ3 LYS 57 2HZ LYS 57 -3.483 -7.673 23.573 463 H LEU 58 H LEU 58 3.470 -8.928 22.586 464 HA LEU 58 HA LEU 58 5.572 -7.234 23.144 465 HB2 LEU 58 2HB LEU 58 4.982 -9.250 24.435 466 HB3 LEU 58 3HB LEU 58 5.647 -10.249 23.144 467 HG LEU 58 HG LEU 58 7.069 -9.858 25.244 468 HD11 LEU 58 1HD1 LEU 58 9.029 -10.142 24.017 469 HD12 LEU 58 2HD1 LEU 58 8.456 -9.137 22.687 470 HD13 LEU 58 3HD1 LEU 58 7.767 -10.741 22.939 471 HD21 LEU 58 3HD2 LEU 58 8.024 -7.381 23.917 472 HD22 LEU 58 1HD2 LEU 58 8.078 -7.852 25.616 473 HD23 LEU 58 2HD2 LEU 58 6.569 -7.275 24.909 474 H LEU 59 H LEU 59 5.397 -9.774 20.680 475 HA LEU 59 HA LEU 59 8.065 -9.471 19.770 476 HB2 LEU 59 2HB LEU 59 5.692 -10.521 18.239 477 HB3 LEU 59 3HB LEU 59 7.392 -10.813 17.880 478 HG LEU 59 HG LEU 59 6.209 -11.713 20.482 479 HD11 LEU 59 1HD1 LEU 59 4.813 -13.070 19.406 480 HD12 LEU 59 2HD1 LEU 59 6.241 -13.939 18.846 481 HD13 LEU 59 3HD1 LEU 59 5.521 -12.685 17.837 482 HD21 LEU 59 3HD2 LEU 59 8.500 -12.651 18.759 483 HD22 LEU 59 1HD2 LEU 59 7.973 -13.431 20.250 484 HD23 LEU 59 2HD2 LEU 59 8.612 -11.788 20.293 485 H GLY 60 H GLY 60 4.959 -8.202 18.598 486 HA2 GLY 60 2HA GLY 60 5.825 -6.898 16.314 487 HA3 GLY 60 3HA GLY 60 4.481 -6.361 17.311 488 H LEU 61 H LEU 61 5.820 -5.690 19.651 489 HA LEU 61 HA LEU 61 6.659 -3.081 19.105 490 HB2 LEU 61 2HB LEU 61 5.968 -4.442 21.337 491 HB3 LEU 61 3HB LEU 61 7.712 -4.320 21.562 492 HG LEU 61 HG LEU 61 5.755 -2.044 21.274 493 HD11 LEU 61 1HD1 LEU 61 5.874 -3.249 23.468 494 HD12 LEU 61 2HD1 LEU 61 6.285 -1.535 23.534 495 HD13 LEU 61 3HD1 LEU 61 7.562 -2.750 23.575 496 HD21 LEU 61 3HD2 LEU 61 7.762 -1.415 20.132 497 HD22 LEU 61 1HD2 LEU 61 8.764 -2.033 21.445 498 HD23 LEU 61 2HD2 LEU 61 7.750 -0.613 21.703 499 H TYR 62 H TYR 62 8.554 -6.001 19.793 500 HA TYR 62 HA TYR 62 11.083 -4.752 19.731 501 HB2 TYR 62 2HB TYR 62 10.120 -7.576 19.497 502 HB3 TYR 62 3HB TYR 62 11.801 -7.208 19.127 503 HD1 TYR 62 HD2 TYR 62 12.591 -5.266 21.085 504 HD2 TYR 62 HD1 TYR 62 10.010 -8.615 21.556 505 HE1 TYR 62 HE2 TYR 62 13.139 -5.343 23.481 506 HE2 TYR 62 HE1 TYR 62 10.549 -8.701 23.954 507 HH TYR 62 HH TYR 62 12.518 -7.943 25.426 508 H LEU 63 H LEU 63 8.995 -6.020 17.235 509 HA LEU 63 HA LEU 63 10.925 -6.116 15.160 510 HB2 LEU 63 2HB LEU 63 8.936 -7.369 14.886 511 HB3 LEU 63 3HB LEU 63 7.924 -5.954 15.167 512 HG LEU 63 HG LEU 63 9.685 -5.712 12.840 513 HD11 LEU 63 1HD1 LEU 63 8.887 -8.209 13.034 514 HD12 LEU 63 2HD1 LEU 63 8.845 -7.356 11.492 515 HD13 LEU 63 3HD1 LEU 63 7.369 -7.536 12.440 516 HD21 LEU 63 3HD2 LEU 63 6.878 -5.505 12.323 517 HD22 LEU 63 1HD2 LEU 63 8.109 -4.242 12.319 518 HD23 LEU 63 2HD2 LEU 63 7.270 -4.650 13.816 519 H MET 64 H MET 64 8.338 -3.751 15.833 520 HA MET 64 HA MET 64 9.123 -1.899 13.875 521 HB2 MET 64 2HB MET 64 7.551 -0.442 14.805 522 HB3 MET 64 3HB MET 64 6.926 -2.033 15.217 523 HG2 MET 64 2HG MET 64 6.706 -1.097 17.247 524 HG3 MET 64 3HG MET 64 8.396 -1.572 17.399 525 HE1 MET 64 3HE MET 64 6.377 0.697 18.705 526 HE2 MET 64 1HE MET 64 7.951 0.620 19.498 527 HE3 MET 64 2HE MET 64 7.344 2.161 18.891 528 H ASN 65 H ASN 65 10.226 -2.453 17.139 529 HA ASN 65 HA ASN 65 11.600 0.025 17.444 530 HB2 ASN 65 2HB ASN 65 10.848 -1.612 19.282 531 HB3 ASN 65 3HB ASN 65 12.304 -2.521 18.892 532 HD21 ASN 65 1HD2 ASN 65 12.797 -2.045 21.155 533 HD22 ASN 65 2HD2 ASN 65 13.576 -0.550 21.534 534 H HIS 66 H HIS 66 12.571 -3.229 16.441 535 HA HIS 66 HA HIS 66 15.333 -2.645 16.183 536 HB2 HIS 66 2HB HIS 66 14.145 -4.944 16.315 537 HB3 HIS 66 3HB HIS 66 13.923 -4.761 14.577 538 HD1 HIS 66 HD1 HIS 66 16.581 -5.271 17.171 539 HD2 HIS 66 HD2 HIS 66 16.210 -5.132 13.036 540 HE1 HIS 66 HE1 HIS 66 18.769 -6.122 16.271 541 H VAL 67 H VAL 67 12.585 -2.344 14.033 542 HA VAL 67 HA VAL 67 14.100 -1.904 11.657 543 HB VAL 67 HB VAL 67 11.249 -1.096 12.248 544 HG11 VAL 67 1HG1 VAL 67 12.909 -1.159 9.765 545 HG12 VAL 67 2HG1 VAL 67 11.168 -1.431 9.667 546 HG13 VAL 67 3HG1 VAL 67 11.789 0.078 10.335 547 HG21 VAL 67 3HG2 VAL 67 12.390 -3.671 12.024 548 HG22 VAL 67 1HG2 VAL 67 10.682 -3.238 12.116 549 HG23 VAL 67 2HG2 VAL 67 11.474 -3.376 10.546 550 H VAL 68 H VAL 68 12.276 0.293 13.792 551 HA VAL 68 HA VAL 68 13.038 2.671 12.501 552 HB VAL 68 HB VAL 68 12.321 3.831 14.534 553 HG11 VAL 68 1HG1 VAL 68 10.109 2.131 14.680 554 HG12 VAL 68 2HG1 VAL 68 10.309 3.537 13.632 555 HG13 VAL 68 3HG1 VAL 68 10.746 1.931 13.048 556 HG21 VAL 68 3HG2 VAL 68 11.394 2.304 16.392 557 HG22 VAL 68 1HG2 VAL 68 12.455 1.075 15.703 558 HG23 VAL 68 2HG2 VAL 68 13.134 2.579 16.323 559 H GLN 69 H GLN 69 14.568 0.767 15.018 560 HA GLN 69 HA GLN 69 16.476 2.692 15.824 561 HB2 GLN 69 2HB GLN 69 16.172 -0.258 16.124 562 HB3 GLN 69 3HB GLN 69 17.749 0.447 16.453 563 HG2 GLN 69 2HG GLN 69 16.613 2.016 18.040 564 HG3 GLN 69 3HG GLN 69 15.143 1.069 17.814 565 HE21 GLN 69 1HE2 GLN 69 14.953 0.241 19.825 566 HE22 GLN 69 2HE2 GLN 69 16.102 -0.827 20.549 567 H GLN 70 H GLN 70 16.561 0.095 13.418 568 HA GLN 70 HA GLN 70 19.278 0.586 12.672 569 HB2 GLN 70 2HB GLN 70 17.049 -1.091 11.579 570 HB3 GLN 70 3HB GLN 70 18.495 -0.828 10.613 571 HG2 GLN 70 2HG GLN 70 18.688 -1.813 13.430 572 HG3 GLN 70 3HG GLN 70 18.354 -2.918 12.098 573 HE21 GLN 70 1HE2 GLN 70 19.910 -2.969 10.338 574 HE22 GLN 70 2HE2 GLN 70 21.578 -2.682 10.682 575 H ALA 71 H ALA 71 16.157 1.736 11.618 576 HA ALA 71 HA ALA 71 16.697 2.718 9.101 577 HB1 ALA 71 1HB ALA 71 14.634 2.972 10.958 578 HB2 ALA 71 2HB ALA 71 15.128 4.625 10.589 579 HB3 ALA 71 3HB ALA 71 14.641 3.539 9.287 580 H LYS 72 H LYS 72 17.642 4.016 12.215 581 HA LYS 72 HA LYS 72 18.386 6.595 11.474 582 HB2 LYS 72 2HB LYS 72 19.178 4.716 13.643 583 HB3 LYS 72 3HB LYS 72 20.202 6.120 13.372 584 HG2 LYS 72 2HG LYS 72 17.951 7.430 13.464 585 HG3 LYS 72 3HG LYS 72 17.374 5.989 14.305 586 HD2 LYS 72 2HD LYS 72 18.120 7.223 16.085 587 HD3 LYS 72 3HD LYS 72 19.591 6.329 15.694 588 HE2 LYS 72 2HE LYS 72 19.123 8.943 14.352 589 HE3 LYS 72 3HE LYS 72 19.606 8.949 16.048 590 HZ1 LYS 72 3HZ LYS 72 21.095 7.933 13.712 591 HZ2 LYS 72 1HZ LYS 72 21.453 7.381 15.271 592 HZ3 LYS 72 2HZ LYS 72 21.602 9.025 14.901 593 H GLY 73 H GLY 73 20.071 3.537 11.092 594 HA2 GLY 73 2HA GLY 73 22.580 4.678 10.345 595 HA3 GLY 73 3HA GLY 73 22.084 3.009 10.103 596 H GLN 74 H GLN 74 19.729 3.642 8.561 597 HA GLN 74 HA GLN 74 21.041 4.086 6.009 598 HB2 GLN 74 2HB GLN 74 18.117 3.501 6.413 599 HB3 GLN 74 3HB GLN 74 19.111 3.170 5.001 600 HG2 GLN 74 2HG GLN 74 19.019 1.720 7.615 601 HG3 GLN 74 3HG GLN 74 18.798 1.089 5.984 602 HE21 GLN 74 1HE2 GLN 74 20.677 0.506 8.306 603 HE22 GLN 74 2HE2 GLN 74 22.239 0.466 7.570 604 H LYS 75 H LYS 75 19.865 6.092 8.248 605 HA LYS 75 HA LYS 75 19.204 8.269 8.251 606 HB2 LYS 75 2HB LYS 75 19.626 8.285 5.266 607 HB3 LYS 75 3HB LYS 75 19.725 9.642 6.381 608 HG2 LYS 75 2HG LYS 75 21.633 7.316 6.254 609 HG3 LYS 75 3HG LYS 75 21.932 8.946 5.645 610 HD2 LYS 75 2HD LYS 75 21.322 8.297 8.527 611 HD3 LYS 75 3HD LYS 75 22.952 8.479 7.875 612 HE2 LYS 75 2HE LYS 75 22.002 10.771 7.014 613 HE3 LYS 75 3HE LYS 75 20.833 10.532 8.311 614 HZ1 LYS 75 3HZ LYS 75 23.676 11.119 8.462 615 HZ2 LYS 75 1HZ LYS 75 23.087 10.020 9.606 616 HZ3 LYS 75 2HZ LYS 75 22.420 11.571 9.501 617 H ILE 76 H ILE 76 17.133 6.719 8.465 618 HA ILE 76 HA ILE 76 15.172 7.630 6.464 619 HB ILE 76 HB ILE 76 14.752 5.318 8.343 620 HG12 ILE 76 2HG1 ILE 76 16.759 4.840 7.019 621 HG13 ILE 76 3HG1 ILE 76 15.417 3.823 6.506 622 HG21 ILE 76 1HG2 ILE 76 13.183 6.662 6.356 623 HG22 ILE 76 2HG2 ILE 76 13.429 4.979 5.891 624 HG23 ILE 76 3HG2 ILE 76 12.717 5.366 7.458 625 HD11 ILE 76 3HD1 ILE 76 15.885 4.462 4.439 626 HD12 ILE 76 1HD1 ILE 76 15.243 6.047 4.871 627 HD13 ILE 76 2HD1 ILE 76 16.973 5.730 5.001 628 H ILE 77 H ILE 77 13.683 9.037 7.106 629 HA ILE 77 HA ILE 77 13.267 9.406 9.998 630 HB ILE 77 HB ILE 77 12.703 11.422 7.825 631 HG12 ILE 77 2HG1 ILE 77 15.109 10.935 7.930 632 HG13 ILE 77 3HG1 ILE 77 14.762 12.550 8.537 633 HG21 ILE 77 1HG2 ILE 77 12.573 11.445 10.809 634 HG22 ILE 77 2HG2 ILE 77 12.895 12.937 9.928 635 HG23 ILE 77 3HG2 ILE 77 11.405 12.043 9.632 636 HD11 ILE 77 3HD1 ILE 77 14.891 11.669 10.837 637 HD12 ILE 77 1HD1 ILE 77 15.350 10.099 10.177 638 HD13 ILE 77 2HD1 ILE 77 16.398 11.497 9.938 639 H GLN 78 H GLN 78 11.773 8.566 7.029 640 HA GLN 78 HA GLN 78 9.096 9.247 7.657 641 HB2 GLN 78 2HB GLN 78 10.328 8.403 5.412 642 HB3 GLN 78 3HB GLN 78 9.585 6.895 5.926 643 HG2 GLN 78 2HG GLN 78 7.875 7.673 4.687 644 HG3 GLN 78 3HG GLN 78 7.477 8.506 6.189 645 HE21 GLN 78 1HE2 GLN 78 8.545 10.690 6.419 646 HE22 GLN 78 2HE2 GLN 78 8.559 11.695 5.014 647 H PHE 79 H PHE 79 11.124 6.509 8.409 648 HA PHE 79 HA PHE 79 8.993 4.805 9.274 649 HB2 PHE 79 2HB PHE 79 11.935 4.688 9.169 650 HB3 PHE 79 3HB PHE 79 11.212 3.802 10.507 651 HD1 PHE 79 HD1 PHE 79 8.878 2.580 9.555 652 HD2 PHE 79 HD2 PHE 79 12.496 3.309 7.435 653 HE1 PHE 79 HE1 PHE 79 8.363 0.711 8.039 654 HE2 PHE 79 HE2 PHE 79 11.986 1.443 5.915 655 HZ PHE 79 HZ PHE 79 9.917 0.141 6.216 656 H GLN 80 H GLN 80 11.454 6.740 10.964 657 HA GLN 80 HA GLN 80 10.675 6.153 13.573 658 HB2 GLN 80 2HB GLN 80 11.780 8.795 12.617 659 HB3 GLN 80 3HB GLN 80 11.891 8.126 14.239 660 HG2 GLN 80 2HG GLN 80 13.255 6.270 13.322 661 HG3 GLN 80 3HG GLN 80 13.229 7.079 11.756 662 HE21 GLN 80 1HE2 GLN 80 15.184 6.501 14.183 663 HE22 GLN 80 2HE2 GLN 80 16.106 7.961 14.240 664 H ASP 81 H ASP 81 9.484 8.598 11.327 665 HA ASP 81 HA ASP 81 7.757 9.853 13.230 666 HB2 ASP 81 2HB ASP 81 8.619 11.047 11.251 667 HB3 ASP 81 3HB ASP 81 7.704 9.964 10.206 668 H SER 82 H SER 82 7.228 7.607 10.522 669 HA SER 82 HA SER 82 4.461 7.362 10.775 670 HB2 SER 82 2HB SER 82 4.664 5.336 9.466 671 HB3 SER 82 3HB SER 82 5.821 6.518 8.855 672 HG SER 82 HG SER 82 7.364 5.411 10.309 673 H PHE 83 H PHE 83 7.055 5.430 12.240 674 HA PHE 83 HA PHE 83 5.216 3.787 13.713 675 HB2 PHE 83 2HB PHE 83 8.179 4.019 13.491 676 HB3 PHE 83 3HB PHE 83 7.521 3.244 14.929 677 HD1 PHE 83 HD2 PHE 83 5.347 1.662 14.092 678 HD2 PHE 83 HD1 PHE 83 8.965 2.474 12.001 679 HE1 PHE 83 HE2 PHE 83 5.092 -0.441 12.840 680 HE2 PHE 83 HE1 PHE 83 8.714 0.372 10.745 681 HZ PHE 83 HZ PHE 83 6.776 -1.088 11.165 682 H GLY 84 H GLY 84 6.863 6.782 14.235 683 HA2 GLY 84 2HA GLY 84 6.675 6.742 17.103 684 HA3 GLY 84 3HA GLY 84 7.098 8.124 16.103 685 H LYS 85 H LYS 85 4.679 7.924 14.475 686 HA LYS 85 HA LYS 85 2.969 9.510 16.129 687 HB2 LYS 85 2HB LYS 85 1.545 9.674 14.150 688 HB3 LYS 85 3HB LYS 85 3.228 9.966 13.732 689 HG2 LYS 85 2HG LYS 85 3.399 8.063 12.497 690 HG3 LYS 85 3HG LYS 85 2.196 7.198 13.456 691 HD2 LYS 85 2HD LYS 85 1.347 7.666 11.221 692 HD3 LYS 85 3HD LYS 85 0.422 8.549 12.437 693 HE2 LYS 85 2HE LYS 85 2.756 9.905 11.195 694 HE3 LYS 85 3HE LYS 85 1.300 9.709 10.222 695 HZ1 LYS 85 3HZ LYS 85 0.533 10.621 12.748 696 HZ2 LYS 85 1HZ LYS 85 0.425 11.434 11.267 697 HZ3 LYS 85 2HZ LYS 85 1.809 11.601 12.224 698 H VAL 86 H VAL 86 3.315 6.198 15.700 699 HA VAL 86 HA VAL 86 0.610 5.726 16.772 700 HB VAL 86 HB VAL 86 0.744 3.450 15.701 701 HG11 VAL 86 1HG1 VAL 86 0.525 4.618 13.283 702 HG12 VAL 86 2HG1 VAL 86 -0.739 4.668 14.513 703 HG13 VAL 86 3HG1 VAL 86 0.367 6.030 14.327 704 HG21 VAL 86 3HG2 VAL 86 2.587 2.794 14.648 705 HG22 VAL 86 1HG2 VAL 86 2.498 4.184 13.566 706 HG23 VAL 86 2HG2 VAL 86 3.359 4.313 15.100 707 H ALA 87 H ALA 87 3.824 5.682 17.450 708 HA ALA 87 HA ALA 87 4.104 3.220 18.846 709 HB1 ALA 87 1HB ALA 87 5.943 4.850 20.011 710 HB2 ALA 87 2HB ALA 87 6.192 3.965 18.506 711 HB3 ALA 87 3HB ALA 87 5.690 5.655 18.462 712 H ALA 88 H ALA 88 3.726 6.562 20.047 713 HA ALA 88 HA ALA 88 3.453 5.973 22.742 714 HB1 ALA 88 1HB ALA 88 2.375 8.142 22.969 715 HB2 ALA 88 2HB ALA 88 3.746 8.241 21.863 716 HB3 ALA 88 3HB ALA 88 2.102 8.204 21.227 717 H GLU 89 H GLU 89 1.123 5.717 20.152 718 HA GLU 89 HA GLU 89 -1.157 5.424 21.865 719 HB2 GLU 89 2HB GLU 89 -1.028 6.147 19.351 720 HB3 GLU 89 3HB GLU 89 -1.086 4.417 19.045 721 HG2 GLU 89 2HG GLU 89 -3.302 5.013 18.917 722 HG3 GLU 89 3HG GLU 89 -3.161 4.455 20.584 723 H VAL 90 H VAL 90 0.601 3.145 19.757 724 HA VAL 90 HA VAL 90 -0.716 0.829 20.596 725 HB VAL 90 HB VAL 90 2.115 1.114 19.580 726 HG11 VAL 90 1HG1 VAL 90 1.440 -1.341 18.818 727 HG12 VAL 90 2HG1 VAL 90 2.200 -1.016 20.377 728 HG13 VAL 90 3HG1 VAL 90 0.453 -1.242 20.275 729 HG21 VAL 90 3HG2 VAL 90 -0.316 1.586 18.293 730 HG22 VAL 90 1HG2 VAL 90 1.266 1.377 17.541 731 HG23 VAL 90 2HG2 VAL 90 0.195 -0.010 17.744 732 H LEU 91 H LEU 91 2.435 2.111 21.667 733 HA LEU 91 HA LEU 91 3.055 0.216 23.570 734 HB2 LEU 91 2HB LEU 91 3.684 3.102 23.236 735 HB3 LEU 91 3HB LEU 91 4.087 2.339 24.773 736 HG LEU 91 HG LEU 91 5.425 0.656 23.484 737 HD11 LEU 91 1HD1 LEU 91 4.229 1.083 21.321 738 HD12 LEU 91 2HD1 LEU 91 5.988 1.049 21.211 739 HD13 LEU 91 3HD1 LEU 91 5.134 2.592 21.199 740 HD21 LEU 91 3HD2 LEU 91 7.192 1.927 23.941 741 HD22 LEU 91 1HD2 LEU 91 6.063 3.234 24.302 742 HD23 LEU 91 2HD2 LEU 91 6.761 3.093 22.689 743 H GLY 92 H GLY 92 0.838 2.932 23.803 744 HA2 GLY 92 2HA GLY 92 0.424 2.631 26.636 745 HA3 GLY 92 3HA GLY 92 -0.492 3.665 25.551 746 H ARG 93 H ARG 93 -1.075 1.401 23.733 747 HA ARG 93 HA ARG 93 -3.451 0.492 25.084 748 HB2 ARG 93 2HB ARG 93 -2.373 0.359 22.313 749 HB3 ARG 93 3HB ARG 93 -3.557 -0.854 22.782 750 HG2 ARG 93 2HG ARG 93 -4.058 2.072 23.195 751 HG3 ARG 93 3HG ARG 93 -4.407 1.272 21.661 752 HD2 ARG 93 2HD ARG 93 -5.755 -0.401 23.021 753 HD3 ARG 93 3HD ARG 93 -5.607 0.732 24.364 754 HE ARG 93 HE ARG 93 -6.581 2.068 22.077 755 HH11 ARG 93 1HH1 ARG 93 -7.556 -0.218 24.516 756 HH12 ARG 93 2HH1 ARG 93 -9.233 0.211 24.432 757 HH21 ARG 93 1HH2 ARG 93 -8.786 2.641 21.959 758 HH22 ARG 93 2HH2 ARG 93 -9.931 1.836 22.977 759 H ILE 94 H ILE 94 -0.364 -0.858 24.122 760 HA ILE 94 HA ILE 94 -1.135 -3.564 24.785 761 HB ILE 94 HB ILE 94 1.133 -4.186 24.239 762 HG12 ILE 94 2HG1 ILE 94 1.680 -1.216 24.047 763 HG13 ILE 94 3HG1 ILE 94 2.290 -2.296 25.296 764 HG21 ILE 94 1HG2 ILE 94 0.709 -2.196 22.112 765 HG22 ILE 94 2HG2 ILE 94 0.872 -3.949 22.014 766 HG23 ILE 94 3HG2 ILE 94 -0.671 -3.231 22.478 767 HD11 ILE 94 3HD1 ILE 94 3.160 -1.942 22.497 768 HD12 ILE 94 1HD1 ILE 94 4.104 -2.262 23.952 769 HD13 ILE 94 2HD1 ILE 94 3.228 -3.574 23.162 770 H ASN 95 H ASN 95 0.522 -0.890 26.302 771 HA ASN 95 HA ASN 95 1.739 -2.336 28.407 772 HB2 ASN 95 2HB ASN 95 2.588 -0.168 28.007 773 HB3 ASN 95 3HB ASN 95 0.984 0.559 28.056 774 HD21 ASN 95 1HD2 ASN 95 -0.028 0.869 30.057 775 HD22 ASN 95 2HD2 ASN 95 0.872 0.887 31.531 776 H GLN 96 H GLN 96 -1.420 -0.828 28.026 777 HA GLN 96 HA GLN 96 -2.212 -1.238 30.746 778 HB2 GLN 96 2HB GLN 96 -4.467 -0.609 29.931 779 HB3 GLN 96 3HB GLN 96 -3.226 0.551 29.476 780 HG2 GLN 96 2HG GLN 96 -3.146 -0.404 27.234 781 HG3 GLN 96 3HG GLN 96 -4.383 -1.576 27.688 782 HE21 GLN 96 1HE2 GLN 96 -6.473 -1.009 27.584 783 HE22 GLN 96 2HE2 GLN 96 -7.046 0.560 27.145 784 H GLU 97 H GLU 97 -2.643 -2.972 27.710 785 HA GLU 97 HA GLU 97 -4.435 -4.917 28.822 786 HB2 GLU 97 2HB GLU 97 -2.883 -4.849 26.231 787 HB3 GLU 97 3HB GLU 97 -4.017 -6.122 26.659 788 HG2 GLU 97 2HG GLU 97 -4.973 -3.317 26.767 789 HG3 GLU 97 3HG GLU 97 -4.722 -4.051 25.184 790 H PHE 98 H PHE 98 -1.002 -4.563 28.526 791 HA PHE 98 HA PHE 98 -0.357 -7.324 28.904 792 HB2 PHE 98 2HB PHE 98 1.167 -4.760 28.834 793 HB3 PHE 98 3HB PHE 98 1.931 -6.159 29.582 794 HD1 PHE 98 HD2 PHE 98 -0.414 -6.588 26.823 795 HD2 PHE 98 HD1 PHE 98 3.684 -6.204 27.908 796 HE1 PHE 98 HE2 PHE 98 0.248 -7.410 24.601 797 HE2 PHE 98 HE1 PHE 98 4.352 -7.025 25.686 798 HZ PHE 98 HZ PHE 98 2.633 -7.630 24.030 799 HA PRO 99 HA PRO 99 -0.831 -7.637 33.266 800 HB2 PRO 99 2HB PRO 99 0.910 -9.662 33.755 801 HB3 PRO 99 3HB PRO 99 -0.656 -9.909 32.973 802 HG2 PRO 99 2HG PRO 99 2.062 -9.672 31.740 803 HG3 PRO 99 3HG PRO 99 0.753 -10.804 31.353 804 HD2 PRO 99 2HD PRO 99 1.254 -8.595 29.870 805 HD3 PRO 99 3HD PRO 99 -0.381 -9.254 30.079 806 H ARG 100 H ARG 100 0.511 -7.712 35.301 807 HA ARG 100 HA ARG 100 2.282 -5.531 35.371 808 HB2 ARG 100 2HB ARG 100 1.571 -7.690 37.334 809 HB3 ARG 100 3HB ARG 100 2.835 -6.525 37.704 810 HG2 ARG 100 2HG ARG 100 0.982 -5.564 38.673 811 HG3 ARG 100 3HG ARG 100 1.039 -4.758 37.105 812 HD2 ARG 100 2HD ARG 100 -0.798 -5.872 36.310 813 HD3 ARG 100 3HD ARG 100 -0.530 -7.273 37.347 814 HE ARG 100 HE ARG 100 -1.214 -4.960 38.859 815 HH11 ARG 100 1HH1 ARG 100 -2.545 -7.487 36.869 816 HH12 ARG 100 2HH1 ARG 100 -4.109 -7.427 37.611 817 HH21 ARG 100 1HH2 ARG 100 -3.270 -4.870 39.844 818 HH22 ARG 100 2HH2 ARG 100 -4.521 -5.938 39.302 819 H ASP 101 H ASP 101 2.784 -8.873 34.718 820 HA ASP 101 HA ASP 101 5.570 -8.941 35.380 821 HB2 ASP 101 2HB ASP 101 3.697 -10.774 33.919 822 HB3 ASP 101 3HB ASP 101 5.434 -11.057 33.860 823 H LEU 102 H LEU 102 3.755 -8.760 32.325 824 HA LEU 102 HA LEU 102 6.066 -8.509 30.694 825 HB2 LEU 102 2HB LEU 102 3.160 -7.892 30.221 826 HB3 LEU 102 3HB LEU 102 4.396 -7.694 28.980 827 HG LEU 102 HG LEU 102 3.565 -10.278 30.297 828 HD11 LEU 102 1HD1 LEU 102 2.368 -8.904 28.236 829 HD12 LEU 102 2HD1 LEU 102 2.218 -10.632 28.556 830 HD13 LEU 102 3HD1 LEU 102 3.417 -10.051 27.401 831 HD21 LEU 102 3HD2 LEU 102 5.159 -10.770 28.050 832 HD22 LEU 102 1HD2 LEU 102 5.563 -11.067 29.741 833 HD23 LEU 102 2HD2 LEU 102 6.012 -9.539 28.983 834 H LYS 103 H LYS 103 4.128 -6.263 32.491 835 HA LYS 103 HA LYS 103 4.651 -3.872 31.190 836 HB2 LYS 103 2HB LYS 103 4.251 -4.521 34.104 837 HB3 LYS 103 3HB LYS 103 4.484 -2.869 33.547 838 HG2 LYS 103 2HG LYS 103 2.435 -4.337 32.069 839 HG3 LYS 103 3HG LYS 103 2.082 -4.132 33.786 840 HD2 LYS 103 2HD LYS 103 2.900 -1.649 33.221 841 HD3 LYS 103 3HD LYS 103 2.293 -2.112 31.629 842 HE2 LYS 103 2HE LYS 103 0.333 -1.370 32.468 843 HE3 LYS 103 3HE LYS 103 0.269 -2.985 33.171 844 HZ1 LYS 103 3HZ LYS 103 1.739 -1.372 34.902 845 HZ2 LYS 103 1HZ LYS 103 0.212 -2.052 35.161 846 HZ3 LYS 103 2HZ LYS 103 0.346 -0.506 34.490 847 H LYS 104 H LYS 104 6.642 -5.659 33.492 848 HA LYS 104 HA LYS 104 8.648 -3.686 33.794 849 HB2 LYS 104 2HB LYS 104 8.555 -6.652 34.272 850 HB3 LYS 104 3HB LYS 104 10.053 -5.753 34.474 851 HG2 LYS 104 2HG LYS 104 9.217 -4.524 36.267 852 HG3 LYS 104 3HG LYS 104 7.541 -4.906 35.868 853 HD2 LYS 104 2HD LYS 104 8.148 -6.193 37.788 854 HD3 LYS 104 3HD LYS 104 8.042 -7.296 36.414 855 HE2 LYS 104 2HE LYS 104 10.496 -7.150 36.158 856 HE3 LYS 104 3HE LYS 104 10.562 -6.128 37.593 857 HZ1 LYS 104 3HZ LYS 104 11.034 -8.552 37.951 858 HZ2 LYS 104 1HZ LYS 104 9.402 -8.854 37.622 859 HZ3 LYS 104 2HZ LYS 104 9.834 -7.895 38.947 860 H LYS 105 H LYS 105 8.183 -6.319 31.510 861 HA LYS 105 HA LYS 105 10.761 -6.138 30.316 862 HB2 LYS 105 2HB LYS 105 8.184 -7.275 29.214 863 HB3 LYS 105 3HB LYS 105 9.782 -7.521 28.520 864 HG2 LYS 105 2HG LYS 105 9.159 -8.316 31.342 865 HG3 LYS 105 3HG LYS 105 8.809 -9.378 29.976 866 HD2 LYS 105 2HD LYS 105 11.280 -8.941 29.323 867 HD3 LYS 105 3HD LYS 105 11.456 -8.418 31.000 868 HE2 LYS 105 2HE LYS 105 10.952 -10.534 31.837 869 HE3 LYS 105 3HE LYS 105 10.185 -11.050 30.336 870 HZ1 LYS 105 3HZ LYS 105 12.793 -11.508 31.127 871 HZ2 LYS 105 1HZ LYS 105 12.894 -10.374 29.875 872 HZ3 LYS 105 2HZ LYS 105 12.107 -11.849 29.618 873 H LEU 106 H LEU 106 7.652 -4.624 29.701 874 HA LEU 106 HA LEU 106 8.497 -3.410 27.232 875 HB2 LEU 106 2HB LEU 106 6.182 -3.929 27.476 876 HB3 LEU 106 3HB LEU 106 6.082 -3.029 28.988 877 HG LEU 106 HG LEU 106 6.827 -1.528 26.535 878 HD11 LEU 106 1HD1 LEU 106 3.953 -2.170 27.123 879 HD12 LEU 106 2HD1 LEU 106 4.907 -3.089 25.958 880 HD13 LEU 106 3HD1 LEU 106 4.635 -1.364 25.710 881 HD21 LEU 106 3HD2 LEU 106 6.376 -0.824 29.104 882 HD22 LEU 106 1HD2 LEU 106 4.769 -0.588 28.416 883 HD23 LEU 106 2HD2 LEU 106 6.156 0.259 27.728 884 H SER 107 H SER 107 8.203 -2.442 30.602 885 HA SER 107 HA SER 107 8.520 0.306 30.349 886 HB2 SER 107 2HB SER 107 7.958 -0.549 32.493 887 HB3 SER 107 3HB SER 107 9.366 -1.610 32.523 888 HG SER 107 HG SER 107 10.227 -0.013 33.591 889 H ARG 108 H ARG 108 10.993 -2.225 30.602 890 HA ARG 108 HA ARG 108 13.208 -0.459 30.552 891 HB2 ARG 108 2HB ARG 108 14.525 -2.500 30.016 892 HB3 ARG 108 3HB ARG 108 13.476 -2.694 31.414 893 HG2 ARG 108 2HG ARG 108 11.853 -3.889 30.032 894 HG3 ARG 108 3HG ARG 108 12.911 -3.698 28.633 895 HD2 ARG 108 2HD ARG 108 13.412 -5.287 31.138 896 HD3 ARG 108 3HD ARG 108 13.282 -5.882 29.483 897 HE ARG 108 HE ARG 108 15.615 -4.852 30.749 898 HH11 ARG 108 1HH1 ARG 108 13.971 -5.080 27.689 899 HH12 ARG 108 2HH1 ARG 108 15.422 -4.951 26.751 900 HH21 ARG 108 1HH2 ARG 108 17.533 -4.681 29.526 901 HH22 ARG 108 2HH2 ARG 108 17.448 -4.725 27.797 902 H VAL 109 H VAL 109 11.439 -2.200 28.043 903 HA VAL 109 HA VAL 109 13.164 -1.674 25.895 904 HB VAL 109 HB VAL 109 10.169 -2.068 25.889 905 HG11 VAL 109 1HG1 VAL 109 12.164 -1.850 23.664 906 HG12 VAL 109 2HG1 VAL 109 10.691 -2.802 23.472 907 HG13 VAL 109 3HG1 VAL 109 10.587 -1.077 23.826 908 HG21 VAL 109 3HG2 VAL 109 11.932 -3.869 26.707 909 HG22 VAL 109 1HG2 VAL 109 10.525 -4.317 25.742 910 HG23 VAL 109 2HG2 VAL 109 12.100 -4.131 24.971 911 H VAL 110 H VAL 110 10.449 0.173 27.212 912 HA VAL 110 HA VAL 110 10.311 2.153 25.240 913 HB VAL 110 HB VAL 110 9.706 2.419 28.189 914 HG11 VAL 110 1HG1 VAL 110 9.105 4.168 25.826 915 HG12 VAL 110 2HG1 VAL 110 8.113 4.209 27.285 916 HG13 VAL 110 3HG1 VAL 110 9.829 4.608 27.372 917 HG21 VAL 110 3HG2 VAL 110 8.006 1.044 27.782 918 HG22 VAL 110 1HG2 VAL 110 7.348 2.262 26.690 919 HG23 VAL 110 2HG2 VAL 110 8.396 0.989 26.063 920 H ASN 111 H ASN 111 12.382 1.834 28.064 921 HA ASN 111 HA ASN 111 13.437 4.444 28.071 922 HB2 ASN 111 2HB ASN 111 14.273 1.814 29.204 923 HB3 ASN 111 3HB ASN 111 15.465 3.110 29.156 924 HD21 ASN 111 1HD2 ASN 111 12.398 2.080 30.449 925 HD22 ASN 111 2HD2 ASN 111 12.324 3.240 31.727 926 H ILE 112 H ILE 112 14.309 1.543 26.296 927 HA ILE 112 HA ILE 112 16.811 2.245 25.339 928 HB ILE 112 HB ILE 112 14.662 0.754 23.829 929 HG12 ILE 112 2HG1 ILE 112 16.859 -0.277 25.636 930 HG13 ILE 112 3HG1 ILE 112 15.148 -0.217 26.045 931 HG21 ILE 112 1HG2 ILE 112 17.268 1.586 23.059 932 HG22 ILE 112 2HG2 ILE 112 17.274 -0.168 23.239 933 HG23 ILE 112 3HG2 ILE 112 16.113 0.603 22.159 934 HD11 ILE 112 3HD1 ILE 112 16.579 -2.005 24.138 935 HD12 ILE 112 1HD1 ILE 112 15.430 -2.408 25.413 936 HD13 ILE 112 2HD1 ILE 112 14.862 -1.669 23.916 937 H LEU 113 H LEU 113 13.650 2.872 23.817 938 HA LEU 113 HA LEU 113 14.538 4.248 21.582 939 HB2 LEU 113 2HB LEU 113 12.023 4.486 23.206 940 HB3 LEU 113 3HB LEU 113 12.285 5.437 21.745 941 HG LEU 113 HG LEU 113 12.455 2.442 21.692 942 HD11 LEU 113 1HD1 LEU 113 9.988 2.924 20.719 943 HD12 LEU 113 2HD1 LEU 113 10.061 4.125 22.007 944 HD13 LEU 113 3HD1 LEU 113 10.312 2.420 22.378 945 HD21 LEU 113 3HD2 LEU 113 11.564 3.016 19.331 946 HD22 LEU 113 1HD2 LEU 113 13.262 3.312 19.703 947 HD23 LEU 113 2HD2 LEU 113 12.114 4.651 19.702 948 H LYS 114 H LYS 114 14.171 5.340 24.883 949 HA LYS 114 HA LYS 114 14.368 8.120 24.378 950 HB2 LYS 114 2HB LYS 114 15.218 6.684 26.894 951 HB3 LYS 114 3HB LYS 114 14.722 8.364 26.742 952 HG2 LYS 114 2HG LYS 114 12.853 6.127 26.055 953 HG3 LYS 114 3HG LYS 114 13.054 6.686 27.717 954 HD2 LYS 114 2HD LYS 114 12.366 8.913 27.099 955 HD3 LYS 114 3HD LYS 114 12.310 8.462 25.394 956 HE2 LYS 114 2HE LYS 114 10.700 6.636 26.872 957 HE3 LYS 114 3HE LYS 114 10.257 8.277 27.340 958 HZ1 LYS 114 3HZ LYS 114 9.037 8.299 25.498 959 HZ2 LYS 114 1HZ LYS 114 9.751 6.889 24.893 960 HZ3 LYS 114 2HZ LYS 114 10.482 8.390 24.624 961 H GLU 115 H GLU 115 16.753 5.603 25.022 962 HA GLU 115 HA GLU 115 18.969 7.396 25.201 963 HB2 GLU 115 2HB GLU 115 19.341 5.368 26.286 964 HB3 GLU 115 3HB GLU 115 18.665 4.424 24.965 965 HG2 GLU 115 2HG GLU 115 21.079 4.146 25.136 966 HG3 GLU 115 3HG GLU 115 20.615 4.881 23.603 967 H ARG 116 H ARG 116 17.857 5.141 22.678 968 HA ARG 116 HA ARG 116 19.803 5.905 20.773 969 HB2 ARG 116 2HB ARG 116 17.084 4.728 20.193 970 HB3 ARG 116 3HB ARG 116 18.523 4.633 19.187 971 HG2 ARG 116 2HG ARG 116 18.112 3.320 21.864 972 HG3 ARG 116 3HG ARG 116 18.156 2.526 20.288 973 HD2 ARG 116 2HD ARG 116 20.438 4.035 21.559 974 HD3 ARG 116 3HD ARG 116 20.271 2.280 21.514 975 HE ARG 116 HE ARG 116 20.132 3.234 18.893 976 HH11 ARG 116 1HH1 ARG 116 22.429 2.998 21.498 977 HH12 ARG 116 2HH1 ARG 116 23.806 2.906 20.450 978 HH21 ARG 116 1HH2 ARG 116 21.937 3.114 17.502 979 HH22 ARG 116 2HH2 ARG 116 23.525 2.973 18.178 980 H ASN 117 H ASN 117 16.976 7.435 21.880 981 HA ASN 117 HA ASN 117 15.826 9.289 21.234 982 HB2 ASN 117 2HB ASN 117 18.545 9.753 20.047 983 HB3 ASN 117 3HB ASN 117 17.244 10.905 19.757 984 HD21 ASN 117 1HD2 ASN 117 16.853 12.404 21.241 985 HD22 ASN 117 2HD2 ASN 117 17.534 12.441 22.828 986 H ILE 118 H ILE 118 15.111 7.087 19.807 987 HA ILE 118 HA ILE 118 15.252 7.427 16.992 988 HB ILE 118 HB ILE 118 13.141 5.897 18.511 989 HG12 ILE 118 2HG1 ILE 118 15.417 5.255 19.244 990 HG13 ILE 118 3HG1 ILE 118 14.607 3.957 18.373 991 HG21 ILE 118 1HG2 ILE 118 12.372 5.660 16.416 992 HG22 ILE 118 2HG2 ILE 118 13.898 6.166 15.693 993 HG23 ILE 118 3HG2 ILE 118 13.692 4.503 16.242 994 HD11 ILE 118 3HD1 ILE 118 16.693 5.810 17.248 995 HD12 ILE 118 1HD1 ILE 118 16.934 4.129 17.722 996 HD13 ILE 118 2HD1 ILE 118 15.877 4.520 16.365 997 H PHE 119 H PHE 119 12.937 8.415 19.454 998 HA PHE 119 HA PHE 119 11.371 9.792 17.378 999 HB2 PHE 119 2HB PHE 119 10.492 9.150 20.197 1000 HB3 PHE 119 3HB PHE 119 9.488 9.739 18.876 1001 HD1 PHE 119 HD2 PHE 119 10.357 8.018 16.661 1002 HD2 PHE 119 HD1 PHE 119 9.603 7.084 20.745 1003 HE1 PHE 119 HE2 PHE 119 9.828 5.700 16.030 1004 HE2 PHE 119 HE1 PHE 119 9.074 4.764 20.120 1005 HZ PHE 119 HZ PHE 119 9.185 4.069 17.760 1006 H SER 120 H SER 120 10.381 11.880 18.083 1007 HA SER 120 HA SER 120 12.444 13.532 19.285 1008 HB2 SER 120 2HB SER 120 10.867 13.984 17.159 1009 HB3 SER 120 3HB SER 120 9.868 14.729 18.407 1010 HG SER 120 HG SER 120 11.619 16.016 17.268 1011 H LYS 121 H LYS 121 11.266 15.544 20.509 1012 HA LYS 121 HA LYS 121 10.505 14.481 23.021 1013 HB2 LYS 121 2HB LYS 121 11.583 16.805 22.304 1014 HB3 LYS 121 3HB LYS 121 9.902 17.321 22.342 1015 HG2 LYS 121 2HG LYS 121 9.700 16.718 24.647 1016 HG3 LYS 121 3HG LYS 121 11.298 15.968 24.640 1017 HD2 LYS 121 2HD LYS 121 12.396 17.996 24.608 1018 HD3 LYS 121 3HD LYS 121 11.029 18.844 23.881 1019 HE2 LYS 121 2HE LYS 121 9.925 19.062 25.896 1020 HE3 LYS 121 3HE LYS 121 10.755 17.686 26.619 1021 HZ1 LYS 121 3HZ LYS 121 12.246 19.054 27.482 1022 HZ2 LYS 121 1HZ LYS 121 11.397 20.379 26.860 1023 HZ3 LYS 121 2HZ LYS 121 12.638 19.670 25.956 1024 H GLN 122 H GLN 122 8.692 15.944 20.370 1025 HA GLN 122 HA GLN 122 6.217 16.213 21.625 1026 HB2 GLN 122 2HB GLN 122 7.093 16.874 19.209 1027 HB3 GLN 122 3HB GLN 122 6.309 15.362 18.769 1028 HG2 GLN 122 2HG GLN 122 4.738 17.087 18.409 1029 HG3 GLN 122 3HG GLN 122 4.231 16.225 19.862 1030 HE21 GLN 122 1HE2 GLN 122 5.783 19.129 18.658 1031 HE22 GLN 122 2HE2 GLN 122 5.474 20.101 20.053 1032 H VAL 123 H VAL 123 7.740 13.415 20.139 1033 HA VAL 123 HA VAL 123 5.394 11.762 20.347 1034 HB VAL 123 HB VAL 123 8.231 10.832 19.918 1035 HG11 VAL 123 1HG1 VAL 123 6.918 9.076 18.564 1036 HG12 VAL 123 2HG1 VAL 123 6.910 8.958 20.325 1037 HG13 VAL 123 3HG1 VAL 123 5.519 9.636 19.478 1038 HG21 VAL 123 3HG2 VAL 123 6.565 12.460 18.217 1039 HG22 VAL 123 1HG2 VAL 123 8.240 11.953 17.996 1040 HG23 VAL 123 2HG2 VAL 123 6.925 10.911 17.454 1041 H VAL 124 H VAL 124 8.523 11.931 22.034 1042 HA VAL 124 HA VAL 124 8.135 9.857 23.840 1043 HB VAL 124 HB VAL 124 9.635 12.443 24.283 1044 HG11 VAL 124 1HG1 VAL 124 9.078 10.256 26.054 1045 HG12 VAL 124 2HG1 VAL 124 10.809 10.341 25.723 1046 HG13 VAL 124 3HG1 VAL 124 9.963 11.748 26.367 1047 HG21 VAL 124 3HG2 VAL 124 11.303 11.618 23.047 1048 HG22 VAL 124 1HG2 VAL 124 11.172 10.022 23.787 1049 HG23 VAL 124 2HG2 VAL 124 10.125 10.456 22.436 1050 H ASN 125 H ASN 125 7.411 13.319 24.273 1051 HA ASN 125 HA ASN 125 6.377 13.186 26.848 1052 HB2 ASN 125 2HB ASN 125 6.083 15.056 24.555 1053 HB3 ASN 125 3HB ASN 125 4.902 15.191 25.855 1054 HD21 ASN 125 1HD2 ASN 125 7.161 16.923 24.919 1055 HD22 ASN 125 2HD2 ASN 125 8.082 17.242 26.346 1056 H ASP 126 H ASP 126 4.946 12.298 23.803 1057 HA ASP 126 HA ASP 126 2.250 12.185 24.762 1058 HB2 ASP 126 2HB ASP 126 3.671 11.558 22.254 1059 HB3 ASP 126 3HB ASP 126 2.244 10.574 22.568 1060 H ILE 127 H ILE 127 4.808 9.800 24.191 1061 HA ILE 127 HA ILE 127 3.404 7.475 24.730 1062 HB ILE 127 HB ILE 127 6.278 8.072 25.443 1063 HG12 ILE 127 2HG1 ILE 127 5.339 6.563 23.022 1064 HG13 ILE 127 3HG1 ILE 127 5.409 8.322 23.000 1065 HG21 ILE 127 1HG2 ILE 127 4.620 5.646 25.627 1066 HG22 ILE 127 2HG2 ILE 127 6.212 5.433 24.901 1067 HG23 ILE 127 3HG2 ILE 127 6.067 6.106 26.524 1068 HD11 ILE 127 3HD1 ILE 127 7.861 7.808 23.919 1069 HD12 ILE 127 1HD1 ILE 127 7.585 6.334 22.990 1070 HD13 ILE 127 2HD1 ILE 127 7.473 7.908 22.201 1071 H GLU 128 H GLU 128 4.769 9.829 26.951 1072 HA GLU 128 HA GLU 128 4.466 8.283 29.308 1073 HB2 GLU 128 2HB GLU 128 4.557 11.288 28.990 1074 HB3 GLU 128 3HB GLU 128 4.765 10.411 30.500 1075 HG2 GLU 128 2HG GLU 128 6.562 9.999 28.132 1076 HG3 GLU 128 3HG GLU 128 6.864 11.230 29.357 1077 H ARG 129 H ARG 129 2.447 10.775 27.786 1078 HA ARG 129 HA ARG 129 0.434 10.850 29.732 1079 HB2 ARG 129 2HB ARG 129 0.155 11.328 26.759 1080 HB3 ARG 129 3HB ARG 129 -0.965 11.866 28.004 1081 HG2 ARG 129 2HG ARG 129 1.292 12.986 28.920 1082 HG3 ARG 129 3HG ARG 129 1.642 12.971 27.190 1083 HD2 ARG 129 2HD ARG 129 -0.563 14.071 26.808 1084 HD3 ARG 129 3HD ARG 129 -0.743 14.208 28.556 1085 HE ARG 129 HE ARG 129 1.686 15.360 27.954 1086 HH11 ARG 129 1HH1 ARG 129 -1.649 15.878 27.099 1087 HH12 ARG 129 2HH1 ARG 129 -1.461 17.585 26.871 1088 HH21 ARG 129 1HH2 ARG 129 1.946 17.607 27.657 1089 HH22 ARG 129 2HH2 ARG 129 0.584 18.567 27.188 1090 H SER 130 H SER 130 0.798 8.837 26.845 1091 HA SER 130 HA SER 130 -1.666 7.595 26.788 1092 HB2 SER 130 2HB SER 130 0.498 7.342 25.276 1093 HB3 SER 130 3HB SER 130 0.761 5.924 26.290 1094 HG SER 130 HG SER 130 -1.595 5.519 25.712 1095 H LEU 131 H LEU 131 1.242 6.518 28.541 1096 HA LEU 131 HA LEU 131 -0.095 4.354 29.828 1097 HB2 LEU 131 2HB LEU 131 2.441 5.679 30.751 1098 HB3 LEU 131 3HB LEU 131 1.920 4.019 31.032 1099 HG LEU 131 HG LEU 131 2.605 5.084 28.300 1100 HD11 LEU 131 1HD1 LEU 131 4.692 3.530 28.870 1101 HD12 LEU 131 2HD1 LEU 131 4.350 4.131 30.491 1102 HD13 LEU 131 3HD1 LEU 131 4.683 5.265 29.183 1103 HD21 LEU 131 3HD2 LEU 131 1.229 2.870 28.927 1104 HD22 LEU 131 1HD2 LEU 131 2.872 2.239 29.044 1105 HD23 LEU 131 2HD2 LEU 131 2.314 2.975 27.541 1106 H ALA 132 H ALA 132 0.344 7.720 30.536 1107 HA ALA 132 HA ALA 132 -0.241 7.559 33.328 1108 HB1 ALA 132 1HB ALA 132 -0.381 9.917 31.452 1109 HB2 ALA 132 2HB ALA 132 -0.444 9.995 33.213 1110 HB3 ALA 132 3HB ALA 132 1.019 9.429 32.407 1111 H ALA 133 H ALA 133 -2.133 7.667 30.436 1112 HA ALA 133 HA ALA 133 -4.571 8.317 31.920 1113 HB1 ALA 133 1HB ALA 133 -4.402 7.829 28.963 1114 HB2 ALA 133 2HB ALA 133 -5.608 8.749 29.864 1115 HB3 ALA 133 3HB ALA 133 -3.972 9.382 29.679 1116 H ALA 134 H ALA 134 -2.926 5.669 30.395 1117 HA ALA 134 HA ALA 134 -5.208 3.937 30.248 1118 HB1 ALA 134 1HB ALA 134 -2.865 3.898 28.985 1119 HB2 ALA 134 2HB ALA 134 -2.476 2.792 30.303 1120 HB3 ALA 134 3HB ALA 134 -3.832 2.444 29.231 1121 H LEU 135 H LEU 135 -2.936 4.813 32.684 1122 HA LEU 135 HA LEU 135 -3.117 2.477 34.288 1123 HB2 LEU 135 2HB LEU 135 -1.908 3.642 35.890 1124 HB3 LEU 135 3HB LEU 135 -1.379 4.355 34.367 1125 HG LEU 135 HG LEU 135 -3.306 6.094 34.975 1126 HD11 LEU 135 1HD1 LEU 135 -2.647 6.349 37.611 1127 HD12 LEU 135 2HD1 LEU 135 -2.808 4.602 37.438 1128 HD13 LEU 135 3HD1 LEU 135 -4.150 5.659 36.999 1129 HD21 LEU 135 3HD2 LEU 135 -1.618 7.565 35.347 1130 HD22 LEU 135 1HD2 LEU 135 -0.655 6.213 34.751 1131 HD23 LEU 135 2HD2 LEU 135 -0.790 6.501 36.486 1132 H GLU 136 H GLU 136 -5.107 5.299 33.902 1133 HA GLU 136 HA GLU 136 -6.531 5.140 36.339 1134 HB2 GLU 136 2HB GLU 136 -6.974 6.462 33.702 1135 HB3 GLU 136 3HB GLU 136 -8.337 6.330 34.804 1136 HG2 GLU 136 2HG GLU 136 -5.729 7.442 35.747 1137 HG3 GLU 136 3HG GLU 136 -6.866 8.448 34.852 1138 H HIS 137 H HIS 137 -7.341 3.979 33.070 1139 HA HIS 137 HA HIS 137 -9.738 2.687 33.857 1140 HB2 HIS 137 2HB HIS 137 -7.972 2.422 31.427 1141 HB3 HIS 137 3HB HIS 137 -9.447 1.481 31.627 1142 HD1 HIS 137 HD1 HIS 137 -8.268 4.557 30.225 1143 HD2 HIS 137 HD2 HIS 137 -11.790 3.306 32.040 1144 HE1 HIS 137 HE1 HIS 137 -10.010 6.237 29.542 1145 H HIS 138 H HIS 138 -10.110 0.708 34.659 1146 HA HIS 138 HA HIS 138 -7.780 -0.989 35.202 1147 HB2 HIS 138 2HB HIS 138 -9.219 -2.081 36.886 1148 HB3 HIS 138 3HB HIS 138 -9.082 -0.347 37.161 1149 HD1 HIS 138 HD1 HIS 138 -11.210 1.067 36.893 1150 HD2 HIS 138 HD2 HIS 138 -11.774 -2.976 36.118 1151 HE1 HIS 138 HE1 HIS 138 -13.702 0.741 36.802 Start of MODEL 4 1 H ALA 2 H ALA 2 7.236 -4.954 -5.509 2 HA ALA 2 HA ALA 2 9.375 -6.510 -4.305 3 HB1 ALA 2 1HB ALA 2 9.340 -4.051 -5.458 4 HB2 ALA 2 2HB ALA 2 9.278 -3.633 -3.745 5 HB3 ALA 2 3HB ALA 2 10.596 -4.629 -4.363 6 H PHE 3 H PHE 3 6.437 -4.928 -3.380 7 HA PHE 3 HA PHE 3 6.915 -5.743 -0.601 8 HB2 PHE 3 2HB PHE 3 7.313 -3.387 -0.548 9 HB3 PHE 3 3HB PHE 3 5.895 -3.062 -1.540 10 HD1 PHE 3 HD2 PHE 3 6.535 -4.988 1.595 11 HD2 PHE 3 HD1 PHE 3 4.242 -1.993 -0.377 12 HE1 PHE 3 HE2 PHE 3 5.188 -4.684 3.631 13 HE2 PHE 3 HE1 PHE 3 2.892 -1.684 1.656 14 HZ PHE 3 HZ PHE 3 3.363 -3.031 3.663 15 H SER 4 H SER 4 5.128 -6.484 0.506 16 HA SER 4 HA SER 4 2.538 -6.437 -0.854 17 HB2 SER 4 2HB SER 4 3.780 -8.992 0.190 18 HB3 SER 4 3HB SER 4 2.217 -8.829 -0.609 19 HG SER 4 HG SER 4 4.213 -9.503 -1.870 20 H SER 5 H SER 5 1.225 -5.534 0.580 21 HA SER 5 HA SER 5 1.647 -5.263 3.301 22 HB2 SER 5 2HB SER 5 -0.009 -3.838 2.612 23 HB3 SER 5 3HB SER 5 -0.717 -5.022 1.513 24 HG SER 5 HG SER 5 -2.117 -4.767 3.217 25 H GLU 6 H GLU 6 0.343 -7.948 1.525 26 HA GLU 6 HA GLU 6 -0.879 -9.259 3.746 27 HB2 GLU 6 2HB GLU 6 -0.896 -11.246 2.225 28 HB3 GLU 6 3HB GLU 6 -1.647 -9.809 1.545 29 HG2 GLU 6 2HG GLU 6 0.261 -9.378 0.173 30 HG3 GLU 6 3HG GLU 6 1.178 -10.659 0.964 31 H GLN 7 H GLN 7 2.308 -9.296 2.286 32 HA GLN 7 HA GLN 7 3.315 -11.602 3.537 33 HB2 GLN 7 2HB GLN 7 4.398 -9.321 2.061 34 HB3 GLN 7 3HB GLN 7 5.501 -9.939 3.283 35 HG2 GLN 7 2HG GLN 7 4.180 -11.685 1.226 36 HG3 GLN 7 3HG GLN 7 5.748 -10.916 0.986 37 HE21 GLN 7 1HE2 GLN 7 5.181 -13.719 1.015 38 HE22 GLN 7 2HE2 GLN 7 6.085 -14.409 2.315 39 H PHE 8 H PHE 8 3.447 -8.186 4.506 40 HA PHE 8 HA PHE 8 4.946 -8.495 6.834 41 HB2 PHE 8 2HB PHE 8 4.405 -6.310 5.811 42 HB3 PHE 8 3HB PHE 8 2.731 -6.497 6.325 43 HD1 PHE 8 HD2 PHE 8 6.131 -6.716 7.856 44 HD2 PHE 8 HD1 PHE 8 2.123 -5.323 8.188 45 HE1 PHE 8 HE2 PHE 8 6.680 -5.661 10.010 46 HE2 PHE 8 HE1 PHE 8 2.665 -4.265 10.342 47 HZ PHE 8 HZ PHE 8 4.946 -4.434 11.256 48 H THR 9 H THR 9 1.447 -8.703 6.338 49 HA THR 9 HA THR 9 0.831 -9.127 9.089 50 HB THR 9 HB THR 9 -0.886 -9.918 6.735 51 HG1 THR 9 HG1 THR 9 -1.687 -7.799 6.815 52 HG21 THR 9 3HG2 THR 9 -1.920 -10.746 8.641 53 HG22 THR 9 1HG2 THR 9 -2.658 -9.153 8.480 54 HG23 THR 9 2HG2 THR 9 -1.362 -9.411 9.648 55 H THR 10 H THR 10 1.335 -11.251 6.311 56 HA THR 10 HA THR 10 0.529 -13.667 7.434 57 HB THR 10 HB THR 10 2.739 -13.169 5.430 58 HG1 THR 10 HG1 THR 10 0.299 -12.676 5.100 59 HG21 THR 10 3HG2 THR 10 3.167 -15.338 6.158 60 HG22 THR 10 1HG2 THR 10 2.088 -15.595 4.788 61 HG23 THR 10 2HG2 THR 10 1.461 -15.688 6.434 62 H LYS 11 H LYS 11 3.749 -12.155 7.445 63 HA LYS 11 HA LYS 11 4.903 -14.223 9.060 64 HB2 LYS 11 2HB LYS 11 6.908 -12.965 8.977 65 HB3 LYS 11 3HB LYS 11 6.145 -12.754 7.407 66 HG2 LYS 11 2HG LYS 11 5.352 -10.566 8.037 67 HG3 LYS 11 3HG LYS 11 5.976 -10.779 9.674 68 HD2 LYS 11 2HD LYS 11 8.246 -10.859 8.834 69 HD3 LYS 11 3HD LYS 11 7.662 -10.773 7.170 70 HE2 LYS 11 2HE LYS 11 8.503 -8.607 8.050 71 HE3 LYS 11 3HE LYS 11 6.823 -8.553 7.520 72 HZ1 LYS 11 3HZ LYS 11 6.060 -8.498 9.706 73 HZ2 LYS 11 1HZ LYS 11 7.396 -7.461 9.725 74 HZ3 LYS 11 2HZ LYS 11 7.532 -9.027 10.349 75 H LEU 12 H LEU 12 3.436 -11.099 9.637 76 HA LEU 12 HA LEU 12 4.322 -10.568 12.212 77 HB2 LEU 12 2HB LEU 12 2.115 -9.745 10.512 78 HB3 LEU 12 3HB LEU 12 1.676 -9.760 12.219 79 HG LEU 12 HG LEU 12 3.947 -8.208 10.977 80 HD11 LEU 12 1HD1 LEU 12 2.049 -7.036 10.384 81 HD12 LEU 12 2HD1 LEU 12 2.467 -6.303 11.932 82 HD13 LEU 12 3HD1 LEU 12 1.176 -7.502 11.844 83 HD21 LEU 12 3HD2 LEU 12 3.329 -8.947 13.734 84 HD22 LEU 12 1HD2 LEU 12 3.521 -7.210 13.490 85 HD23 LEU 12 2HD2 LEU 12 4.819 -8.313 13.034 86 H ASN 13 H ASN 13 1.787 -12.737 11.101 87 HA ASN 13 HA ASN 13 0.859 -13.336 13.760 88 HB2 ASN 13 2HB ASN 13 0.302 -14.849 11.201 89 HB3 ASN 13 3HB ASN 13 -0.629 -14.913 12.695 90 HD21 ASN 13 1HD2 ASN 13 -1.264 -14.113 9.870 91 HD22 ASN 13 2HD2 ASN 13 -2.011 -12.563 10.020 92 H THR 14 H THR 14 3.156 -14.657 11.498 93 HA THR 14 HA THR 14 3.533 -17.058 13.119 94 HB THR 14 HB THR 14 4.949 -17.884 11.364 95 HG1 THR 14 HG1 THR 14 6.122 -16.272 10.551 96 HG21 THR 14 3HG2 THR 14 2.293 -17.413 11.043 97 HG22 THR 14 1HG2 THR 14 3.284 -18.329 9.908 98 HG23 THR 14 2HG2 THR 14 2.952 -16.623 9.611 99 H LEU 15 H LEU 15 4.328 -14.230 13.891 100 HA LEU 15 HA LEU 15 7.205 -14.272 13.947 101 HB2 LEU 15 2HB LEU 15 5.058 -12.444 14.791 102 HB3 LEU 15 3HB LEU 15 6.525 -12.388 15.767 103 HG LEU 15 HG LEU 15 6.408 -11.957 12.782 104 HD11 LEU 15 1HD1 LEU 15 6.319 -9.714 13.113 105 HD12 LEU 15 2HD1 LEU 15 7.124 -9.797 14.679 106 HD13 LEU 15 3HD1 LEU 15 5.419 -10.227 14.540 107 HD21 LEU 15 3HD2 LEU 15 8.552 -12.658 14.454 108 HD22 LEU 15 1HD2 LEU 15 8.736 -10.938 14.110 109 HD23 LEU 15 2HD2 LEU 15 8.623 -12.095 12.783 110 H GLU 16 H GLU 16 8.493 -15.087 15.477 111 HA GLU 16 HA GLU 16 7.249 -15.982 17.995 112 HB2 GLU 16 2HB GLU 16 9.563 -17.300 16.566 113 HB3 GLU 16 3HB GLU 16 8.772 -17.870 18.029 114 HG2 GLU 16 2HG GLU 16 6.746 -18.323 16.821 115 HG3 GLU 16 3HG GLU 16 7.417 -17.608 15.356 116 H ASP 17 H ASP 17 9.062 -16.431 19.690 117 HA ASP 17 HA ASP 17 10.518 -13.936 19.975 118 HB2 ASP 17 2HB ASP 17 10.580 -16.185 21.967 119 HB3 ASP 17 3HB ASP 17 10.720 -14.452 22.250 120 H SER 18 H SER 18 12.159 -14.167 18.427 121 HA SER 18 HA SER 18 14.417 -15.747 19.349 122 HB2 SER 18 2HB SER 18 13.744 -17.399 17.887 123 HB3 SER 18 3HB SER 18 12.953 -16.260 16.797 124 HG SER 18 HG SER 18 15.181 -17.332 16.317 125 H GLN 19 H GLN 19 16.341 -14.783 18.951 126 HA GLN 19 HA GLN 19 16.449 -12.083 18.272 127 HB2 GLN 19 2HB GLN 19 18.169 -13.329 19.585 128 HB3 GLN 19 3HB GLN 19 18.719 -14.069 18.087 129 HG2 GLN 19 2HG GLN 19 20.157 -12.231 18.689 130 HG3 GLN 19 3HG GLN 19 19.280 -11.855 17.207 131 HE21 GLN 19 1HE2 GLN 19 18.285 -9.969 17.105 132 HE22 GLN 19 2HE2 GLN 19 17.910 -8.948 18.447 133 H GLU 20 H GLU 20 16.932 -14.958 16.297 134 HA GLU 20 HA GLU 20 17.801 -13.506 13.984 135 HB2 GLU 20 2HB GLU 20 17.047 -16.346 14.553 136 HB3 GLU 20 3HB GLU 20 17.162 -15.805 12.884 137 HG2 GLU 20 2HG GLU 20 19.294 -16.463 13.107 138 HG3 GLU 20 3HG GLU 20 19.491 -14.865 13.825 139 H SER 21 H SER 21 14.742 -14.677 15.220 140 HA SER 21 HA SER 21 13.215 -14.423 12.872 141 HB2 SER 21 2HB SER 21 12.413 -15.641 14.850 142 HB3 SER 21 3HB SER 21 12.331 -14.130 15.755 143 HG SER 21 HG SER 21 10.649 -15.120 13.779 144 H ILE 22 H ILE 22 13.704 -12.157 15.572 145 HA ILE 22 HA ILE 22 12.116 -10.075 14.622 146 HB ILE 22 HB ILE 22 14.647 -9.884 16.260 147 HG12 ILE 22 2HG1 ILE 22 12.860 -11.302 17.242 148 HG13 ILE 22 3HG1 ILE 22 13.172 -9.852 18.189 149 HG21 ILE 22 1HG2 ILE 22 12.448 -7.878 15.785 150 HG22 ILE 22 2HG2 ILE 22 13.702 -7.718 17.015 151 HG23 ILE 22 3HG2 ILE 22 14.140 -7.737 15.307 152 HD11 ILE 22 3HD1 ILE 22 10.723 -10.773 17.158 153 HD12 ILE 22 1HD1 ILE 22 11.042 -9.290 18.057 154 HD13 ILE 22 2HD1 ILE 22 11.124 -9.289 16.295 155 H SER 23 H SER 23 15.584 -10.671 14.120 156 HA SER 23 HA SER 23 16.025 -8.382 12.514 157 HB2 SER 23 2HB SER 23 17.787 -9.769 13.712 158 HB3 SER 23 3HB SER 23 17.626 -10.943 12.406 159 HG SER 23 HG SER 23 19.321 -9.396 12.073 160 H SER 24 H SER 24 15.120 -11.705 11.785 161 HA SER 24 HA SER 24 15.491 -11.726 9.035 162 HB2 SER 24 2HB SER 24 14.880 -13.819 9.666 163 HB3 SER 24 3HB SER 24 13.834 -13.232 10.959 164 HG SER 24 HG SER 24 13.254 -13.734 8.281 165 H ALA 25 H ALA 25 12.585 -10.783 10.860 166 HA ALA 25 HA ALA 25 11.208 -9.913 8.489 167 HB1 ALA 25 1HB ALA 25 9.591 -8.966 10.259 168 HB2 ALA 25 2HB ALA 25 9.763 -10.716 10.122 169 HB3 ALA 25 3HB ALA 25 10.586 -9.848 11.418 170 H SER 26 H SER 26 12.842 -8.346 11.211 171 HA SER 26 HA SER 26 12.200 -5.703 10.688 172 HB2 SER 26 2HB SER 26 14.658 -6.969 11.888 173 HB3 SER 26 3HB SER 26 14.495 -5.219 11.746 174 HG SER 26 HG SER 26 12.594 -5.367 12.998 175 H LYS 27 H LYS 27 14.848 -7.652 9.363 176 HA LYS 27 HA LYS 27 16.137 -5.670 7.892 177 HB2 LYS 27 2HB LYS 27 15.887 -8.643 7.563 178 HB3 LYS 27 3HB LYS 27 16.733 -7.687 6.353 179 HG2 LYS 27 2HG LYS 27 18.485 -7.241 7.726 180 HG3 LYS 27 3HG LYS 27 17.495 -7.278 9.186 181 HD2 LYS 27 2HD LYS 27 18.677 -9.222 9.452 182 HD3 LYS 27 3HD LYS 27 17.278 -9.831 8.565 183 HE2 LYS 27 2HE LYS 27 19.836 -8.962 7.234 184 HE3 LYS 27 3HE LYS 27 19.526 -10.622 7.743 185 HZ1 LYS 27 3HZ LYS 27 18.818 -10.685 5.588 186 HZ2 LYS 27 1HZ LYS 27 18.285 -9.079 5.580 187 HZ3 LYS 27 2HZ LYS 27 17.365 -10.271 6.349 188 H TRP 28 H TRP 28 13.377 -7.706 7.038 189 HA TRP 28 HA TRP 28 13.182 -6.855 4.346 190 HB2 TRP 28 2HB TRP 28 12.117 -8.913 5.152 191 HB3 TRP 28 3HB TRP 28 11.041 -7.964 6.175 192 HD1 TRP 28 HD1 TRP 28 11.883 -8.044 2.373 193 HE1 TRP 28 HE1 TRP 28 9.671 -7.802 1.078 194 HE3 TRP 28 HE3 TRP 28 8.670 -7.615 6.326 195 HZ2 TRP 28 HZ2 TRP 28 6.928 -7.472 1.656 196 HZ3 TRP 28 HZ3 TRP 28 6.268 -7.338 5.869 197 HH2 TRP 28 HH2 TRP 28 5.417 -7.268 3.582 198 H LEU 29 H LEU 29 11.660 -5.735 7.339 199 HA LEU 29 HA LEU 29 9.900 -3.875 6.203 200 HB2 LEU 29 2HB LEU 29 11.181 -4.174 8.884 201 HB3 LEU 29 3HB LEU 29 10.263 -2.716 8.515 202 HG LEU 29 HG LEU 29 8.887 -5.267 7.966 203 HD11 LEU 29 1HD1 LEU 29 8.799 -4.472 10.800 204 HD12 LEU 29 2HD1 LEU 29 10.278 -5.274 10.272 205 HD13 LEU 29 3HD1 LEU 29 8.719 -6.072 10.062 206 HD21 LEU 29 3HD2 LEU 29 7.467 -3.470 9.642 207 HD22 LEU 29 1HD2 LEU 29 7.182 -3.851 7.944 208 HD23 LEU 29 2HD2 LEU 29 8.265 -2.529 8.381 209 H LEU 30 H LEU 30 13.309 -3.680 6.976 210 HA LEU 30 HA LEU 30 13.682 -0.921 6.888 211 HB2 LEU 30 2HB LEU 30 15.293 -3.098 7.203 212 HB3 LEU 30 3HB LEU 30 15.802 -2.505 5.624 213 HG LEU 30 HG LEU 30 17.271 -1.554 7.213 214 HD11 LEU 30 1HD1 LEU 30 16.841 0.838 6.996 215 HD12 LEU 30 2HD1 LEU 30 15.176 0.503 6.523 216 HD13 LEU 30 3HD1 LEU 30 16.507 -0.010 5.486 217 HD21 LEU 30 3HD2 LEU 30 14.946 -0.444 8.762 218 HD22 LEU 30 1HD2 LEU 30 16.645 -0.515 9.230 219 HD23 LEU 30 2HD2 LEU 30 15.690 -1.996 9.150 220 H LEU 31 H LEU 31 13.483 -3.282 4.280 221 HA LEU 31 HA LEU 31 14.169 -1.406 2.224 222 HB2 LEU 31 2HB LEU 31 13.267 -4.228 2.348 223 HB3 LEU 31 3HB LEU 31 12.992 -3.356 0.842 224 HG LEU 31 HG LEU 31 15.517 -2.802 0.977 225 HD11 LEU 31 1HD1 LEU 31 15.308 -5.129 2.876 226 HD12 LEU 31 2HD1 LEU 31 15.977 -3.531 3.204 227 HD13 LEU 31 3HD1 LEU 31 16.804 -4.622 2.092 228 HD21 LEU 31 3HD2 LEU 31 14.869 -4.131 -0.801 229 HD22 LEU 31 1HD2 LEU 31 14.258 -5.414 0.244 230 HD23 LEU 31 2HD2 LEU 31 15.997 -5.181 0.057 231 H GLN 32 H GLN 32 11.467 -1.763 4.105 232 HA GLN 32 HA GLN 32 9.577 -0.989 2.016 233 HB2 GLN 32 2HB GLN 32 9.029 -1.472 4.946 234 HB3 GLN 32 3HB GLN 32 7.845 -1.354 3.651 235 HG2 GLN 32 2HG GLN 32 9.774 -3.566 4.233 236 HG3 GLN 32 3HG GLN 32 8.019 -3.634 4.090 237 HE21 GLN 32 1HE2 GLN 32 10.195 -5.120 2.723 238 HE22 GLN 32 2HE2 GLN 32 9.891 -4.911 1.035 239 H TYR 33 H TYR 33 11.756 0.769 3.021 240 HA TYR 33 HA TYR 33 10.894 2.754 4.739 241 HB2 TYR 33 2HB TYR 33 12.613 4.117 3.860 242 HB3 TYR 33 3HB TYR 33 13.191 2.467 3.659 243 HD1 TYR 33 HD1 TYR 33 12.316 1.414 1.286 244 HD2 TYR 33 HD2 TYR 33 13.059 5.524 2.099 245 HE1 TYR 33 HE1 TYR 33 12.657 1.821 -1.116 246 HE2 TYR 33 HE2 TYR 33 13.401 5.943 -0.301 247 HH TYR 33 HH TYR 33 13.791 4.917 -2.311 248 H ARG 34 H ARG 34 9.995 2.153 1.433 249 HA ARG 34 HA ARG 34 8.870 4.713 0.900 250 HB2 ARG 34 2HB ARG 34 8.644 2.009 -0.388 251 HB3 ARG 34 3HB ARG 34 7.619 3.339 -0.913 252 HG2 ARG 34 2HG ARG 34 10.465 4.003 -0.735 253 HG3 ARG 34 3HG ARG 34 10.068 2.766 -1.928 254 HD2 ARG 34 2HD ARG 34 8.401 5.230 -1.814 255 HD3 ARG 34 3HD ARG 34 10.007 5.331 -2.535 256 HE ARG 34 HE ARG 34 8.622 3.132 -3.619 257 HH11 ARG 34 1HH1 ARG 34 8.635 6.613 -3.669 258 HH12 ARG 34 2HH1 ARG 34 7.971 6.722 -5.266 259 HH21 ARG 34 1HH2 ARG 34 7.747 3.262 -5.721 260 HH22 ARG 34 2HH2 ARG 34 7.465 4.816 -6.432 261 H ASP 35 H ASP 35 7.631 1.709 2.238 262 HA ASP 35 HA ASP 35 4.933 2.812 2.399 263 HB2 ASP 35 2HB ASP 35 5.741 0.122 3.465 264 HB3 ASP 35 3HB ASP 35 4.177 0.643 2.842 265 H ALA 36 H ALA 36 6.703 4.238 3.927 266 HA ALA 36 HA ALA 36 7.084 3.428 6.562 267 HB1 ALA 36 1HB ALA 36 7.417 5.806 5.063 268 HB2 ALA 36 2HB ALA 36 6.547 6.221 6.541 269 HB3 ALA 36 3HB ALA 36 8.103 5.395 6.635 270 HA PRO 37 HA PRO 37 2.915 5.550 7.746 271 HB2 PRO 37 2HB PRO 37 1.301 6.368 5.722 272 HB3 PRO 37 3HB PRO 37 2.545 7.401 6.436 273 HG2 PRO 37 2HG PRO 37 2.636 5.795 3.911 274 HG3 PRO 37 3HG PRO 37 3.210 7.446 4.208 275 HD2 PRO 37 2HD PRO 37 4.876 5.313 4.155 276 HD3 PRO 37 3HD PRO 37 5.165 6.725 5.191 277 H LYS 38 H LYS 38 2.958 3.610 4.807 278 HA LYS 38 HA LYS 38 0.406 2.426 5.139 279 HB2 LYS 38 2HB LYS 38 2.786 1.965 3.444 280 HB3 LYS 38 3HB LYS 38 1.749 0.568 3.700 281 HG2 LYS 38 2HG LYS 38 0.814 1.444 1.814 282 HG3 LYS 38 3HG LYS 38 -0.153 2.252 3.051 283 HD2 LYS 38 2HD LYS 38 1.565 4.138 2.912 284 HD3 LYS 38 3HD LYS 38 2.121 3.362 1.427 285 HE2 LYS 38 2HE LYS 38 -0.705 4.275 1.957 286 HE3 LYS 38 3HE LYS 38 0.490 5.172 1.020 287 HZ1 LYS 38 3HZ LYS 38 -0.180 4.036 -0.742 288 HZ2 LYS 38 1HZ LYS 38 -1.190 3.052 0.193 289 HZ3 LYS 38 2HZ LYS 38 0.429 2.622 -0.042 290 H VAL 39 H VAL 39 3.673 1.145 5.779 291 HA VAL 39 HA VAL 39 2.813 -1.240 6.999 292 HB VAL 39 HB VAL 39 5.405 0.258 7.411 293 HG11 VAL 39 1HG1 VAL 39 4.357 -2.042 8.717 294 HG12 VAL 39 2HG1 VAL 39 5.705 -2.544 7.694 295 HG13 VAL 39 3HG1 VAL 39 5.939 -1.288 8.910 296 HG21 VAL 39 3HG2 VAL 39 5.012 -2.130 5.643 297 HG22 VAL 39 1HG2 VAL 39 4.697 -0.500 5.050 298 HG23 VAL 39 2HG2 VAL 39 6.307 -0.933 5.625 299 H ALA 40 H ALA 40 3.577 1.945 8.320 300 HA ALA 40 HA ALA 40 3.437 1.242 11.047 301 HB1 ALA 40 1HB ALA 40 4.476 3.271 10.670 302 HB2 ALA 40 2HB ALA 40 3.232 3.819 9.545 303 HB3 ALA 40 3HB ALA 40 2.896 3.770 11.276 304 H GLU 41 H GLU 41 1.001 2.554 8.818 305 HA GLU 41 HA GLU 41 -1.082 2.788 10.685 306 HB2 GLU 41 2HB GLU 41 -1.017 3.789 8.375 307 HB3 GLU 41 3HB GLU 41 -1.390 2.192 7.741 308 HG2 GLU 41 2HG GLU 41 -3.497 2.178 8.936 309 HG3 GLU 41 3HG GLU 41 -3.121 3.744 9.653 310 H MET 42 H MET 42 -0.295 0.161 8.420 311 HA MET 42 HA MET 42 -2.412 -1.538 9.148 312 HB2 MET 42 2HB MET 42 -0.517 -1.607 7.224 313 HB3 MET 42 3HB MET 42 0.137 -2.803 8.335 314 HG2 MET 42 2HG MET 42 -2.657 -2.859 7.223 315 HG3 MET 42 3HG MET 42 -1.294 -3.755 6.558 316 HE1 MET 42 3HE MET 42 -0.476 -6.343 9.304 317 HE2 MET 42 1HE MET 42 -0.070 -5.675 7.722 318 HE3 MET 42 2HE MET 42 0.273 -4.750 9.183 319 H TRP 43 H TRP 43 0.985 -1.509 10.217 320 HA TRP 43 HA TRP 43 0.875 -3.640 11.987 321 HB2 TRP 43 2HB TRP 43 2.974 -2.565 11.356 322 HB3 TRP 43 3HB TRP 43 2.501 -1.098 12.208 323 HD1 TRP 43 HD1 TRP 43 3.755 -4.656 12.840 324 HE1 TRP 43 HE1 TRP 43 4.588 -4.815 15.270 325 HE3 TRP 43 HE3 TRP 43 2.199 -0.090 14.532 326 HZ2 TRP 43 HZ2 TRP 43 4.586 -3.217 17.597 327 HZ3 TRP 43 HZ3 TRP 43 2.654 0.518 16.873 328 HH2 TRP 43 HH2 TRP 43 3.822 -1.015 18.372 329 H LYS 44 H LYS 44 0.099 -0.229 12.541 330 HA LYS 44 HA LYS 44 -0.378 -0.422 15.307 331 HB2 LYS 44 2HB LYS 44 -0.066 1.724 14.190 332 HB3 LYS 44 3HB LYS 44 -1.546 1.484 13.271 333 HG2 LYS 44 2HG LYS 44 -2.722 1.370 15.537 334 HG3 LYS 44 3HG LYS 44 -1.231 2.046 16.197 335 HD2 LYS 44 2HD LYS 44 -1.537 4.072 15.178 336 HD3 LYS 44 3HD LYS 44 -2.442 3.378 13.830 337 HE2 LYS 44 2HE LYS 44 -3.652 3.263 16.544 338 HE3 LYS 44 3HE LYS 44 -3.620 4.819 15.714 339 HZ1 LYS 44 3HZ LYS 44 -4.558 2.517 14.187 340 HZ2 LYS 44 1HZ LYS 44 -5.086 4.124 14.157 341 HZ3 LYS 44 2HZ LYS 44 -5.581 3.094 15.404 342 H GLU 45 H GLU 45 -2.767 -0.235 12.659 343 HA GLU 45 HA GLU 45 -5.024 -0.782 14.179 344 HB2 GLU 45 2HB GLU 45 -4.323 -1.007 11.301 345 HB3 GLU 45 3HB GLU 45 -5.762 -1.862 11.839 346 HG2 GLU 45 2HG GLU 45 -6.550 0.303 12.836 347 HG3 GLU 45 3HG GLU 45 -5.204 1.085 12.009 348 H TYR 46 H TYR 46 -2.593 -2.938 12.921 349 HA TYR 46 HA TYR 46 -4.098 -5.340 13.322 350 HB2 TYR 46 2HB TYR 46 -2.396 -5.486 11.692 351 HB3 TYR 46 3HB TYR 46 -1.196 -4.765 12.759 352 HD1 TYR 46 HD2 TYR 46 -3.113 -7.830 12.039 353 HD2 TYR 46 HD1 TYR 46 0.038 -6.098 14.313 354 HE1 TYR 46 HE2 TYR 46 -2.373 -10.077 12.714 355 HE2 TYR 46 HE1 TYR 46 0.787 -8.339 14.994 356 HH TYR 46 HH TYR 46 0.309 -10.523 14.985 357 H MET 47 H MET 47 -1.702 -3.529 15.167 358 HA MET 47 HA MET 47 -1.451 -5.484 17.236 359 HB2 MET 47 2HB MET 47 -0.685 -2.566 17.107 360 HB3 MET 47 3HB MET 47 -0.324 -3.607 18.478 361 HG2 MET 47 2HG MET 47 0.548 -4.404 15.740 362 HG3 MET 47 3HG MET 47 1.461 -3.196 16.641 363 HE1 MET 47 3HE MET 47 3.472 -4.687 18.990 364 HE2 MET 47 1HE MET 47 2.346 -3.357 18.716 365 HE3 MET 47 2HE MET 47 1.948 -4.624 19.876 366 H LEU 48 H LEU 48 -3.648 -2.909 16.557 367 HA LEU 48 HA LEU 48 -4.697 -2.910 19.284 368 HB2 LEU 48 2HB LEU 48 -5.546 -1.272 16.900 369 HB3 LEU 48 3HB LEU 48 -6.073 -1.045 18.567 370 HG LEU 48 HG LEU 48 -3.231 -0.689 17.621 371 HD11 LEU 48 1HD1 LEU 48 -4.668 0.962 16.569 372 HD12 LEU 48 2HD1 LEU 48 -3.666 1.713 17.810 373 HD13 LEU 48 3HD1 LEU 48 -5.366 1.377 18.135 374 HD21 LEU 48 3HD2 LEU 48 -3.625 0.758 19.926 375 HD22 LEU 48 1HD2 LEU 48 -2.826 -0.810 19.812 376 HD23 LEU 48 2HD2 LEU 48 -4.539 -0.721 20.222 377 H ARG 49 H ARG 49 -4.970 -5.261 17.605 378 HA ARG 49 HA ARG 49 -7.892 -5.318 17.236 379 HB2 ARG 49 2HB ARG 49 -5.642 -6.612 15.785 380 HB3 ARG 49 3HB ARG 49 -7.129 -7.535 15.950 381 HG2 ARG 49 2HG ARG 49 -8.372 -5.969 14.733 382 HG3 ARG 49 3HG ARG 49 -7.127 -4.729 14.897 383 HD2 ARG 49 2HD ARG 49 -6.579 -5.364 12.808 384 HD3 ARG 49 3HD ARG 49 -5.727 -6.663 13.641 385 HE ARG 49 HE ARG 49 -8.338 -7.519 13.213 386 HH11 ARG 49 1HH1 ARG 49 -5.540 -6.643 11.337 387 HH12 ARG 49 2HH1 ARG 49 -5.936 -7.691 10.016 388 HH21 ARG 49 1HH2 ARG 49 -8.871 -8.902 11.480 389 HH22 ARG 49 2HH2 ARG 49 -7.831 -8.975 10.098 390 HA PRO 50 HA PRO 50 -8.334 -8.238 20.482 391 HB2 PRO 50 2HB PRO 50 -10.384 -9.758 19.555 392 HB3 PRO 50 3HB PRO 50 -10.601 -8.103 20.136 393 HG2 PRO 50 2HG PRO 50 -10.365 -9.108 17.326 394 HG3 PRO 50 3HG PRO 50 -11.477 -7.898 17.991 395 HD2 PRO 50 2HD PRO 50 -9.244 -7.224 16.617 396 HD3 PRO 50 3HD PRO 50 -9.892 -6.226 17.934 397 H SER 51 H SER 51 -8.326 -9.662 17.224 398 HA SER 51 HA SER 51 -7.841 -12.301 17.839 399 HB2 SER 51 2HB SER 51 -6.753 -12.468 15.620 400 HB3 SER 51 3HB SER 51 -8.255 -11.546 15.554 401 HG SER 51 HG SER 51 -5.961 -10.766 14.668 402 H VAL 52 H VAL 52 -5.483 -9.674 17.509 403 HA VAL 52 HA VAL 52 -3.175 -11.241 17.905 404 HB VAL 52 HB VAL 52 -3.563 -8.317 18.561 405 HG11 VAL 52 1HG1 VAL 52 -1.168 -8.126 18.379 406 HG12 VAL 52 2HG1 VAL 52 -1.558 -9.369 19.569 407 HG13 VAL 52 3HG1 VAL 52 -1.028 -9.831 17.951 408 HG21 VAL 52 3HG2 VAL 52 -3.140 -9.780 16.018 409 HG22 VAL 52 1HG2 VAL 52 -4.014 -8.281 16.334 410 HG23 VAL 52 2HG2 VAL 52 -2.253 -8.272 16.241 411 H ASN 53 H ASN 53 -2.220 -12.025 19.683 412 HA ASN 53 HA ASN 53 -3.555 -11.604 22.245 413 HB2 ASN 53 2HB ASN 53 -1.337 -13.555 21.602 414 HB3 ASN 53 3HB ASN 53 -2.400 -13.572 23.007 415 HD21 ASN 53 1HD2 ASN 53 -4.081 -14.871 22.921 416 HD22 ASN 53 2HD2 ASN 53 -4.782 -15.532 21.486 417 H THR 54 H THR 54 -1.632 -12.044 24.073 418 HA THR 54 HA THR 54 -0.314 -9.537 24.222 419 HB THR 54 HB THR 54 0.808 -11.539 26.006 420 HG1 THR 54 HG1 THR 54 -1.000 -12.374 26.823 421 HG21 THR 54 3HG2 THR 54 -0.104 -9.973 27.710 422 HG22 THR 54 1HG2 THR 54 -0.862 -9.056 26.409 423 HG23 THR 54 2HG2 THR 54 0.895 -9.178 26.494 424 H ARG 55 H ARG 55 0.879 -12.850 23.724 425 HA ARG 55 HA ARG 55 3.599 -12.280 23.588 426 HB2 ARG 55 2HB ARG 55 2.523 -14.560 23.666 427 HB3 ARG 55 3HB ARG 55 2.181 -14.383 21.951 428 HG2 ARG 55 2HG ARG 55 4.447 -14.450 21.373 429 HG3 ARG 55 3HG ARG 55 4.966 -14.139 23.031 430 HD2 ARG 55 2HD ARG 55 4.619 -16.302 23.692 431 HD3 ARG 55 3HD ARG 55 3.349 -16.576 22.499 432 HE ARG 55 HE ARG 55 6.140 -17.075 22.178 433 HH11 ARG 55 1HH1 ARG 55 3.237 -16.171 20.483 434 HH12 ARG 55 2HH1 ARG 55 3.782 -16.782 18.956 435 HH21 ARG 55 1HH2 ARG 55 6.869 -17.883 20.174 436 HH22 ARG 55 2HH2 ARG 55 5.848 -17.757 18.782 437 H ARG 56 H ARG 56 1.227 -12.465 20.939 438 HA ARG 56 HA ARG 56 2.912 -11.907 18.816 439 HB2 ARG 56 2HB ARG 56 0.044 -11.009 19.156 440 HB3 ARG 56 3HB ARG 56 0.916 -11.106 17.632 441 HG2 ARG 56 2HG ARG 56 0.747 -13.564 19.282 442 HG3 ARG 56 3HG ARG 56 -0.710 -13.021 18.448 443 HD2 ARG 56 2HD ARG 56 1.841 -13.131 16.921 444 HD3 ARG 56 3HD ARG 56 1.025 -14.648 17.296 445 HE ARG 56 HE ARG 56 0.165 -12.625 15.433 446 HH11 ARG 56 1HH1 ARG 56 -0.800 -15.325 17.408 447 HH12 ARG 56 2HH1 ARG 56 -2.202 -15.687 16.456 448 HH21 ARG 56 1HH2 ARG 56 -1.677 -13.092 14.172 449 HH22 ARG 56 2HH2 ARG 56 -2.700 -14.417 14.616 450 H LYS 57 H LYS 57 1.223 -9.654 20.965 451 HA LYS 57 HA LYS 57 2.008 -7.288 19.645 452 HB2 LYS 57 2HB LYS 57 1.022 -7.922 22.404 453 HB3 LYS 57 3HB LYS 57 1.601 -6.304 22.032 454 HG2 LYS 57 2HG LYS 57 -0.132 -5.868 20.582 455 HG3 LYS 57 3HG LYS 57 -0.437 -7.577 20.265 456 HD2 LYS 57 2HD LYS 57 -1.163 -7.737 22.699 457 HD3 LYS 57 3HD LYS 57 -1.161 -5.972 22.704 458 HE2 LYS 57 2HE LYS 57 -2.851 -5.876 21.048 459 HE3 LYS 57 3HE LYS 57 -2.688 -7.593 20.681 460 HZ1 LYS 57 3HZ LYS 57 -4.604 -6.689 22.213 461 HZ2 LYS 57 1HZ LYS 57 -3.420 -6.843 23.412 462 HZ3 LYS 57 2HZ LYS 57 -3.882 -8.192 22.502 463 H LEU 58 H LEU 58 3.371 -8.948 22.483 464 HA LEU 58 HA LEU 58 5.429 -7.215 23.084 465 HB2 LEU 58 2HB LEU 58 4.803 -9.182 24.421 466 HB3 LEU 58 3HB LEU 58 5.514 -10.227 23.193 467 HG LEU 58 HG LEU 58 6.855 -9.756 25.333 468 HD11 LEU 58 1HD1 LEU 58 7.634 -10.729 23.087 469 HD12 LEU 58 2HD1 LEU 58 8.854 -10.105 24.196 470 HD13 LEU 58 3HD1 LEU 58 8.348 -9.140 22.810 471 HD21 LEU 58 3HD2 LEU 58 7.856 -7.738 25.660 472 HD22 LEU 58 1HD2 LEU 58 6.378 -7.187 24.870 473 HD23 LEU 58 2HD2 LEU 58 7.870 -7.339 23.941 474 H LEU 59 H LEU 59 5.435 -9.885 20.745 475 HA LEU 59 HA LEU 59 8.128 -9.555 19.941 476 HB2 LEU 59 2HB LEU 59 5.791 -10.781 18.487 477 HB3 LEU 59 3HB LEU 59 7.474 -10.916 17.982 478 HG LEU 59 HG LEU 59 6.230 -12.075 20.473 479 HD11 LEU 59 1HD1 LEU 59 7.117 -13.182 17.846 480 HD12 LEU 59 2HD1 LEU 59 5.650 -13.511 18.767 481 HD13 LEU 59 3HD1 LEU 59 7.192 -14.183 19.296 482 HD21 LEU 59 3HD2 LEU 59 8.311 -11.686 21.290 483 HD22 LEU 59 1HD2 LEU 59 9.049 -11.614 19.689 484 HD23 LEU 59 2HD2 LEU 59 8.657 -13.176 20.410 485 H GLY 60 H GLY 60 5.062 -8.454 18.507 486 HA2 GLY 60 2HA GLY 60 6.059 -7.205 16.243 487 HA3 GLY 60 3HA GLY 60 4.608 -6.700 17.097 488 H LEU 61 H LEU 61 5.911 -5.994 19.551 489 HA LEU 61 HA LEU 61 6.566 -3.316 18.991 490 HB2 LEU 61 2HB LEU 61 5.799 -4.594 21.195 491 HB3 LEU 61 3HB LEU 61 7.533 -4.557 21.506 492 HG LEU 61 HG LEU 61 6.371 -2.710 22.607 493 HD11 LEU 61 1HD1 LEU 61 7.865 -0.994 21.982 494 HD12 LEU 61 2HD1 LEU 61 8.013 -1.616 20.339 495 HD13 LEU 61 3HD1 LEU 61 8.717 -2.510 21.686 496 HD21 LEU 61 3HD2 LEU 61 4.883 -2.607 20.256 497 HD22 LEU 61 1HD2 LEU 61 5.836 -1.123 20.256 498 HD23 LEU 61 2HD2 LEU 61 4.788 -1.497 21.624 499 H TYR 62 H TYR 62 8.591 -6.120 19.761 500 HA TYR 62 HA TYR 62 11.045 -4.701 19.773 501 HB2 TYR 62 2HB TYR 62 10.257 -7.581 19.664 502 HB3 TYR 62 3HB TYR 62 11.919 -7.147 19.284 503 HD1 TYR 62 HD1 TYR 62 13.085 -5.571 21.044 504 HD2 TYR 62 HD2 TYR 62 9.695 -8.005 21.868 505 HE1 TYR 62 HE1 TYR 62 13.618 -5.490 23.443 506 HE2 TYR 62 HE2 TYR 62 10.218 -7.931 24.270 507 HH TYR 62 HH TYR 62 12.098 -7.530 25.732 508 H LEU 63 H LEU 63 9.179 -6.301 17.271 509 HA LEU 63 HA LEU 63 11.176 -6.326 15.273 510 HB2 LEU 63 2HB LEU 63 9.162 -7.695 15.148 511 HB3 LEU 63 3HB LEU 63 8.174 -6.242 15.008 512 HG LEU 63 HG LEU 63 9.446 -5.776 12.852 513 HD11 LEU 63 1HD1 LEU 63 10.532 -7.610 11.765 514 HD12 LEU 63 2HD1 LEU 63 10.133 -8.698 13.094 515 HD13 LEU 63 3HD1 LEU 63 11.280 -7.383 13.346 516 HD21 LEU 63 3HD2 LEU 63 7.978 -7.171 11.560 517 HD22 LEU 63 1HD2 LEU 63 7.116 -6.619 12.996 518 HD23 LEU 63 2HD2 LEU 63 7.746 -8.265 12.925 519 H MET 64 H MET 64 8.424 -4.109 15.762 520 HA MET 64 HA MET 64 9.173 -2.303 13.733 521 HB2 MET 64 2HB MET 64 7.467 -0.898 14.536 522 HB3 MET 64 3HB MET 64 6.910 -2.526 14.902 523 HG2 MET 64 2HG MET 64 6.471 -1.605 16.904 524 HG3 MET 64 3HG MET 64 8.168 -1.981 17.193 525 HE1 MET 64 3HE MET 64 7.351 1.506 18.932 526 HE2 MET 64 1HE MET 64 5.933 0.651 18.323 527 HE3 MET 64 2HE MET 64 7.223 -0.243 19.126 528 H ASN 65 H ASN 65 10.065 -2.585 17.105 529 HA ASN 65 HA ASN 65 11.271 -0.009 17.319 530 HB2 ASN 65 2HB ASN 65 10.465 -1.375 19.262 531 HB3 ASN 65 3HB ASN 65 11.829 -2.458 19.002 532 HD21 ASN 65 1HD2 ASN 65 12.325 -1.858 21.226 533 HD22 ASN 65 2HD2 ASN 65 13.236 -0.419 21.516 534 H HIS 66 H HIS 66 12.375 -3.187 16.354 535 HA HIS 66 HA HIS 66 15.161 -2.553 16.402 536 HB2 HIS 66 2HB HIS 66 14.248 -4.875 16.553 537 HB3 HIS 66 3HB HIS 66 13.770 -4.754 14.862 538 HD1 HIS 66 HD1 HIS 66 16.661 -5.434 17.050 539 HD2 HIS 66 HD2 HIS 66 15.964 -4.683 13.024 540 HE1 HIS 66 HE1 HIS 66 18.774 -6.109 15.864 541 H VAL 67 H VAL 67 12.680 -2.680 13.875 542 HA VAL 67 HA VAL 67 14.398 -2.082 11.713 543 HB VAL 67 HB VAL 67 12.221 -3.046 11.297 544 HG11 VAL 67 1HG1 VAL 67 10.156 -1.881 11.696 545 HG12 VAL 67 2HG1 VAL 67 11.069 -1.949 13.205 546 HG13 VAL 67 3HG1 VAL 67 11.022 -0.455 12.268 547 HG21 VAL 67 3HG2 VAL 67 13.275 -0.807 9.951 548 HG22 VAL 67 1HG2 VAL 67 12.225 -2.067 9.303 549 HG23 VAL 67 2HG2 VAL 67 11.524 -0.599 9.985 550 H VAL 68 H VAL 68 12.391 -0.044 13.804 551 HA VAL 68 HA VAL 68 12.963 2.387 12.448 552 HB VAL 68 HB VAL 68 12.026 3.506 14.413 553 HG11 VAL 68 1HG1 VAL 68 10.706 1.430 12.891 554 HG12 VAL 68 2HG1 VAL 68 9.938 1.677 14.461 555 HG13 VAL 68 3HG1 VAL 68 10.129 3.033 13.348 556 HG21 VAL 68 3HG2 VAL 68 12.835 2.334 16.264 557 HG22 VAL 68 1HG2 VAL 68 11.115 1.944 16.239 558 HG23 VAL 68 2HG2 VAL 68 12.292 0.779 15.634 559 H GLN 69 H GLN 69 14.436 0.691 15.158 560 HA GLN 69 HA GLN 69 16.161 2.788 15.965 561 HB2 GLN 69 2HB GLN 69 15.982 -0.141 16.475 562 HB3 GLN 69 3HB GLN 69 17.496 0.668 16.855 563 HG2 GLN 69 2HG GLN 69 16.188 2.286 18.238 564 HG3 GLN 69 3HG GLN 69 14.772 1.269 17.974 565 HE21 GLN 69 1HE2 GLN 69 14.480 0.640 20.059 566 HE22 GLN 69 2HE2 GLN 69 15.596 -0.352 20.927 567 H GLN 70 H GLN 70 16.564 0.041 13.770 568 HA GLN 70 HA GLN 70 19.305 0.632 13.197 569 HB2 GLN 70 2HB GLN 70 17.262 -1.254 12.085 570 HB3 GLN 70 3HB GLN 70 18.755 -0.973 11.199 571 HG2 GLN 70 2HG GLN 70 18.882 -1.682 14.090 572 HG3 GLN 70 3HG GLN 70 18.567 -2.940 12.895 573 HE21 GLN 70 1HE2 GLN 70 20.112 -2.627 10.894 574 HE22 GLN 70 2HE2 GLN 70 21.783 -2.495 11.312 575 H ALA 71 H ALA 71 16.220 1.522 11.836 576 HA ALA 71 HA ALA 71 16.895 2.341 9.294 577 HB1 ALA 71 1HB ALA 71 14.710 2.689 11.040 578 HB2 ALA 71 2HB ALA 71 15.134 4.285 10.420 579 HB3 ALA 71 3HB ALA 71 14.770 2.972 9.300 580 H LYS 72 H LYS 72 17.642 3.849 12.347 581 HA LYS 72 HA LYS 72 18.241 6.438 11.552 582 HB2 LYS 72 2HB LYS 72 19.333 4.662 13.713 583 HB3 LYS 72 3HB LYS 72 19.998 6.271 13.461 584 HG2 LYS 72 2HG LYS 72 17.054 6.025 13.702 585 HG3 LYS 72 3HG LYS 72 18.024 5.804 15.160 586 HD2 LYS 72 2HD LYS 72 18.581 8.146 13.402 587 HD3 LYS 72 3HD LYS 72 17.162 8.188 14.450 588 HE2 LYS 72 2HE LYS 72 18.696 9.078 15.879 589 HE3 LYS 72 3HE LYS 72 18.928 7.370 16.248 590 HZ1 LYS 72 3HZ LYS 72 20.869 9.113 15.475 591 HZ2 LYS 72 1HZ LYS 72 20.543 8.253 14.055 592 HZ3 LYS 72 2HZ LYS 72 20.993 7.426 15.461 593 H GLY 73 H GLY 73 20.000 3.481 11.033 594 HA2 GLY 73 2HA GLY 73 22.447 4.817 10.262 595 HA3 GLY 73 3HA GLY 73 22.122 3.093 10.165 596 H GLN 74 H GLN 74 19.545 3.794 8.702 597 HA GLN 74 HA GLN 74 20.784 3.933 6.057 598 HB2 GLN 74 2HB GLN 74 18.115 2.980 7.058 599 HB3 GLN 74 3HB GLN 74 18.376 3.303 5.349 600 HG2 GLN 74 2HG GLN 74 18.668 0.949 5.848 601 HG3 GLN 74 3HG GLN 74 20.180 1.672 5.302 602 HE21 GLN 74 1HE2 GLN 74 18.399 1.010 8.296 603 HE22 GLN 74 2HE2 GLN 74 19.784 0.552 9.222 604 H LYS 75 H LYS 75 20.120 6.231 7.982 605 HA LYS 75 HA LYS 75 19.316 8.362 7.888 606 HB2 LYS 75 2HB LYS 75 19.987 7.763 5.019 607 HB3 LYS 75 3HB LYS 75 19.339 9.330 5.487 608 HG2 LYS 75 2HG LYS 75 21.537 9.820 5.652 609 HG3 LYS 75 3HG LYS 75 21.306 9.161 7.273 610 HD2 LYS 75 2HD LYS 75 23.199 8.040 6.550 611 HD3 LYS 75 3HD LYS 75 21.914 6.894 6.159 612 HE2 LYS 75 2HE LYS 75 23.072 6.888 4.187 613 HE3 LYS 75 3HE LYS 75 21.921 8.185 3.865 614 HZ1 LYS 75 3HZ LYS 75 24.584 8.401 3.588 615 HZ2 LYS 75 1HZ LYS 75 24.365 9.046 5.137 616 HZ3 LYS 75 2HZ LYS 75 23.537 9.710 3.820 617 H ILE 76 H ILE 76 17.304 6.450 8.087 618 HA ILE 76 HA ILE 76 15.187 7.485 6.324 619 HB ILE 76 HB ILE 76 14.964 5.033 8.054 620 HG12 ILE 76 2HG1 ILE 76 15.943 5.224 5.198 621 HG13 ILE 76 3HG1 ILE 76 16.877 4.688 6.590 622 HG21 ILE 76 1HG2 ILE 76 13.543 5.462 5.472 623 HG22 ILE 76 2HG2 ILE 76 13.038 4.562 6.900 624 HG23 ILE 76 3HG2 ILE 76 12.991 6.325 6.907 625 HD11 ILE 76 3HD1 ILE 76 16.309 2.689 5.653 626 HD12 ILE 76 1HD1 ILE 76 14.973 2.903 6.783 627 HD13 ILE 76 2HD1 ILE 76 14.751 3.276 5.073 628 H ILE 77 H ILE 77 13.906 8.968 7.184 629 HA ILE 77 HA ILE 77 13.514 8.983 10.102 630 HB ILE 77 HB ILE 77 13.022 11.280 8.210 631 HG12 ILE 77 2HG1 ILE 77 15.401 10.661 8.183 632 HG13 ILE 77 3HG1 ILE 77 15.154 12.205 8.992 633 HG21 ILE 77 1HG2 ILE 77 11.930 12.040 10.010 634 HG22 ILE 77 2HG2 ILE 77 12.644 10.826 11.070 635 HG23 ILE 77 3HG2 ILE 77 13.533 12.301 10.695 636 HD11 ILE 77 3HD1 ILE 77 15.365 11.126 11.153 637 HD12 ILE 77 1HD1 ILE 77 15.556 9.559 10.367 638 HD13 ILE 77 2HD1 ILE 77 16.782 10.809 10.153 639 H GLN 78 H GLN 78 11.935 8.748 7.034 640 HA GLN 78 HA GLN 78 9.333 9.480 7.651 641 HB2 GLN 78 2HB GLN 78 10.537 8.498 5.447 642 HB3 GLN 78 3HB GLN 78 9.658 7.066 5.966 643 HG2 GLN 78 2HG GLN 78 8.319 8.266 4.395 644 HG3 GLN 78 3HG GLN 78 7.579 8.401 5.990 645 HE21 GLN 78 1HE2 GLN 78 10.224 10.139 4.389 646 HE22 GLN 78 2HE2 GLN 78 9.546 11.714 4.600 647 H PHE 79 H PHE 79 10.901 6.317 8.044 648 HA PHE 79 HA PHE 79 8.631 5.001 9.094 649 HB2 PHE 79 2HB PHE 79 11.428 4.388 8.631 650 HB3 PHE 79 3HB PHE 79 10.870 3.712 10.158 651 HD1 PHE 79 HD1 PHE 79 8.179 2.894 9.689 652 HD2 PHE 79 HD2 PHE 79 11.514 2.730 7.049 653 HE1 PHE 79 HE1 PHE 79 7.125 1.029 8.480 654 HE2 PHE 79 HE2 PHE 79 10.465 0.866 5.835 655 HZ PHE 79 HZ PHE 79 8.268 0.013 6.549 656 H GLN 80 H GLN 80 11.188 6.902 10.551 657 HA GLN 80 HA GLN 80 10.812 6.194 13.231 658 HB2 GLN 80 2HB GLN 80 11.659 8.875 12.122 659 HB3 GLN 80 3HB GLN 80 11.909 8.315 13.771 660 HG2 GLN 80 2HG GLN 80 12.987 6.649 11.569 661 HG3 GLN 80 3HG GLN 80 13.797 8.173 11.927 662 HE21 GLN 80 1HE2 GLN 80 14.979 8.374 13.771 663 HE22 GLN 80 2HE2 GLN 80 15.296 7.065 14.852 664 H ASP 81 H ASP 81 9.399 8.883 11.377 665 HA ASP 81 HA ASP 81 7.713 9.717 13.532 666 HB2 ASP 81 2HB ASP 81 8.041 10.475 10.660 667 HB3 ASP 81 3HB ASP 81 6.567 10.957 11.495 668 H SER 82 H SER 82 7.364 7.612 10.753 669 HA SER 82 HA SER 82 4.551 7.389 10.786 670 HB2 SER 82 2HB SER 82 6.759 5.661 9.695 671 HB3 SER 82 3HB SER 82 5.077 5.139 9.613 672 HG SER 82 HG SER 82 4.857 6.410 7.970 673 H PHE 83 H PHE 83 7.055 5.214 12.093 674 HA PHE 83 HA PHE 83 5.164 3.549 13.430 675 HB2 PHE 83 2HB PHE 83 8.121 3.729 13.251 676 HB3 PHE 83 3HB PHE 83 7.465 2.934 14.678 677 HD1 PHE 83 HD1 PHE 83 5.237 1.427 13.807 678 HD2 PHE 83 HD2 PHE 83 8.883 2.183 11.745 679 HE1 PHE 83 HE1 PHE 83 4.932 -0.644 12.514 680 HE2 PHE 83 HE2 PHE 83 8.583 0.114 10.448 681 HZ PHE 83 HZ PHE 83 6.605 -1.302 10.831 682 H GLY 84 H GLY 84 6.713 6.516 14.192 683 HA2 GLY 84 2HA GLY 84 6.478 6.247 17.057 684 HA3 GLY 84 3HA GLY 84 6.944 7.695 16.177 685 H LYS 85 H LYS 85 4.685 7.886 14.488 686 HA LYS 85 HA LYS 85 2.917 9.305 16.162 687 HB2 LYS 85 2HB LYS 85 1.546 9.603 14.177 688 HB3 LYS 85 3HB LYS 85 3.244 9.819 13.772 689 HG2 LYS 85 2HG LYS 85 3.331 7.913 12.512 690 HG3 LYS 85 3HG LYS 85 2.030 7.128 13.411 691 HD2 LYS 85 2HD LYS 85 1.524 9.538 11.693 692 HD3 LYS 85 3HD LYS 85 1.538 7.908 11.016 693 HE2 LYS 85 2HE LYS 85 -0.151 7.310 12.816 694 HE3 LYS 85 3HE LYS 85 -0.297 9.042 13.113 695 HZ1 LYS 85 3HZ LYS 85 -0.912 9.315 10.763 696 HZ2 LYS 85 1HZ LYS 85 -2.004 8.334 11.604 697 HZ3 LYS 85 2HZ LYS 85 -0.870 7.636 10.562 698 H VAL 86 H VAL 86 3.095 5.990 15.308 699 HA VAL 86 HA VAL 86 0.387 5.532 16.376 700 HB VAL 86 HB VAL 86 0.359 3.408 15.200 701 HG11 VAL 86 1HG1 VAL 86 1.288 5.281 13.083 702 HG12 VAL 86 2HG1 VAL 86 -0.148 4.258 13.137 703 HG13 VAL 86 3HG1 VAL 86 -0.092 5.751 14.075 704 HG21 VAL 86 3HG2 VAL 86 3.155 4.169 14.386 705 HG22 VAL 86 1HG2 VAL 86 2.624 2.724 15.247 706 HG23 VAL 86 2HG2 VAL 86 2.213 2.937 13.546 707 H ALA 87 H ALA 87 3.596 5.376 17.174 708 HA ALA 87 HA ALA 87 3.750 2.899 18.544 709 HB1 ALA 87 1HB ALA 87 5.605 4.287 19.826 710 HB2 ALA 87 2HB ALA 87 5.843 3.722 18.172 711 HB3 ALA 87 3HB ALA 87 5.362 5.392 18.472 712 H ALA 88 H ALA 88 3.355 6.218 19.800 713 HA ALA 88 HA ALA 88 2.940 5.575 22.464 714 HB1 ALA 88 1HB ALA 88 3.279 7.865 21.503 715 HB2 ALA 88 2HB ALA 88 1.579 7.847 21.032 716 HB3 ALA 88 3HB ALA 88 2.023 7.753 22.736 717 H GLU 89 H GLU 89 0.741 5.404 19.756 718 HA GLU 89 HA GLU 89 -1.639 5.140 21.313 719 HB2 GLU 89 2HB GLU 89 -1.341 5.811 18.805 720 HB3 GLU 89 3HB GLU 89 -1.375 4.077 18.522 721 HG2 GLU 89 2HG GLU 89 -3.576 4.786 18.209 722 HG3 GLU 89 3HG GLU 89 -3.558 4.059 19.815 723 H VAL 90 H VAL 90 0.249 2.796 19.397 724 HA VAL 90 HA VAL 90 -1.169 0.522 20.252 725 HB VAL 90 HB VAL 90 1.681 0.707 19.266 726 HG11 VAL 90 1HG1 VAL 90 1.619 -1.404 20.168 727 HG12 VAL 90 2HG1 VAL 90 -0.112 -1.594 19.881 728 HG13 VAL 90 3HG1 VAL 90 1.025 -1.723 18.538 729 HG21 VAL 90 3HG2 VAL 90 -0.047 -0.385 17.327 730 HG22 VAL 90 1HG2 VAL 90 -0.830 1.069 17.947 731 HG23 VAL 90 2HG2 VAL 90 0.799 1.162 17.278 732 H LEU 91 H LEU 91 2.055 1.674 21.263 733 HA LEU 91 HA LEU 91 2.554 -0.159 23.257 734 HB2 LEU 91 2HB LEU 91 3.351 2.688 22.852 735 HB3 LEU 91 3HB LEU 91 3.786 1.872 24.352 736 HG LEU 91 HG LEU 91 4.857 0.092 22.842 737 HD11 LEU 91 1HD1 LEU 91 3.787 0.894 20.762 738 HD12 LEU 91 2HD1 LEU 91 5.545 0.812 20.652 739 HD13 LEU 91 3HD1 LEU 91 4.747 2.370 20.872 740 HD21 LEU 91 3HD2 LEU 91 6.928 1.326 22.749 741 HD22 LEU 91 1HD2 LEU 91 6.080 1.717 24.245 742 HD23 LEU 91 2HD2 LEU 91 6.063 2.856 22.898 743 H GLY 92 H GLY 92 0.858 2.955 23.553 744 HA2 GLY 92 2HA GLY 92 0.361 2.803 26.317 745 HA3 GLY 92 3HA GLY 92 -0.562 3.758 25.166 746 H ARG 93 H ARG 93 -1.267 1.338 23.601 747 HA ARG 93 HA ARG 93 -3.626 0.649 25.104 748 HB2 ARG 93 2HB ARG 93 -2.644 0.224 22.332 749 HB3 ARG 93 3HB ARG 93 -3.821 -0.927 22.949 750 HG2 ARG 93 2HG ARG 93 -4.371 1.982 23.247 751 HG3 ARG 93 3HG ARG 93 -4.577 1.226 21.666 752 HD2 ARG 93 2HD ARG 93 -6.113 -0.397 22.620 753 HD3 ARG 93 3HD ARG 93 -5.868 0.289 24.225 754 HE ARG 93 HE ARG 93 -6.754 2.310 22.489 755 HH11 ARG 93 1HH1 ARG 93 -7.905 -0.584 24.045 756 HH12 ARG 93 2HH1 ARG 93 -9.553 -0.053 24.103 757 HH21 ARG 93 1HH2 ARG 93 -8.920 3.020 22.560 758 HH22 ARG 93 2HH2 ARG 93 -10.130 1.996 23.257 759 H ILE 94 H ILE 94 -0.926 -1.198 23.688 760 HA ILE 94 HA ILE 94 -1.669 -3.672 24.828 761 HB ILE 94 HB ILE 94 0.531 -4.465 24.218 762 HG12 ILE 94 2HG1 ILE 94 1.206 -1.558 23.715 763 HG13 ILE 94 3HG1 ILE 94 1.841 -2.550 25.023 764 HG21 ILE 94 1HG2 ILE 94 0.023 -2.631 21.957 765 HG22 ILE 94 2HG2 ILE 94 0.184 -4.387 21.982 766 HG23 ILE 94 3HG2 ILE 94 -1.329 -3.633 22.485 767 HD11 ILE 94 3HD1 ILE 94 2.711 -4.074 23.142 768 HD12 ILE 94 1HD1 ILE 94 2.438 -2.677 22.100 769 HD13 ILE 94 2HD1 ILE 94 3.547 -2.556 23.467 770 H ASN 95 H ASN 95 0.116 -0.950 26.046 771 HA ASN 95 HA ASN 95 1.545 -2.164 28.118 772 HB2 ASN 95 2HB ASN 95 2.069 0.091 27.594 773 HB3 ASN 95 3HB ASN 95 0.399 0.608 27.810 774 HD21 ASN 95 1HD2 ASN 95 -0.445 0.756 29.923 775 HD22 ASN 95 2HD2 ASN 95 0.599 0.933 31.288 776 H GLN 96 H GLN 96 -1.819 -1.265 27.865 777 HA GLN 96 HA GLN 96 -2.331 -1.701 30.682 778 HB2 GLN 96 2HB GLN 96 -4.180 -1.128 28.362 779 HB3 GLN 96 3HB GLN 96 -4.711 -1.296 30.030 780 HG2 GLN 96 2HG GLN 96 -3.426 0.628 30.685 781 HG3 GLN 96 3HG GLN 96 -2.733 0.757 29.069 782 HE21 GLN 96 1HE2 GLN 96 -3.557 2.412 28.029 783 HE22 GLN 96 2HE2 GLN 96 -5.209 2.916 28.053 784 H GLU 97 H GLU 97 -3.124 -3.288 27.607 785 HA GLU 97 HA GLU 97 -4.559 -5.437 28.769 786 HB2 GLU 97 2HB GLU 97 -3.252 -5.037 26.087 787 HB3 GLU 97 3HB GLU 97 -4.038 -6.551 26.512 788 HG2 GLU 97 2HG GLU 97 -5.568 -4.040 26.892 789 HG3 GLU 97 3HG GLU 97 -5.309 -4.616 25.246 790 H PHE 98 H PHE 98 -1.235 -4.729 28.581 791 HA PHE 98 HA PHE 98 -0.312 -7.457 28.690 792 HB2 PHE 98 2HB PHE 98 0.963 -4.762 28.745 793 HB3 PHE 98 3HB PHE 98 1.871 -6.118 29.405 794 HD1 PHE 98 HD1 PHE 98 -0.481 -6.565 26.642 795 HD2 PHE 98 HD2 PHE 98 3.592 -5.967 27.724 796 HE1 PHE 98 HE1 PHE 98 0.212 -7.202 24.369 797 HE2 PHE 98 HE2 PHE 98 4.292 -6.602 25.452 798 HZ PHE 98 HZ PHE 98 2.601 -7.220 23.771 799 HA PRO 99 HA PRO 99 -0.642 -8.080 33.031 800 HB2 PRO 99 2HB PRO 99 1.316 -9.930 33.369 801 HB3 PRO 99 3HB PRO 99 -0.231 -10.298 32.596 802 HG2 PRO 99 2HG PRO 99 2.419 -9.696 31.340 803 HG3 PRO 99 3HG PRO 99 1.230 -10.938 30.904 804 HD2 PRO 99 2HD PRO 99 1.460 -8.603 29.552 805 HD3 PRO 99 3HD PRO 99 -0.091 -9.446 29.745 806 H ARG 100 H ARG 100 0.717 -8.098 35.040 807 HA ARG 100 HA ARG 100 2.267 -5.759 35.202 808 HB2 ARG 100 2HB ARG 100 1.785 -8.064 37.064 809 HB3 ARG 100 3HB ARG 100 2.944 -6.809 37.481 810 HG2 ARG 100 2HG ARG 100 1.264 -5.137 37.493 811 HG3 ARG 100 3HG ARG 100 0.085 -6.228 36.762 812 HD2 ARG 100 2HD ARG 100 1.349 -6.672 39.461 813 HD3 ARG 100 3HD ARG 100 -0.202 -5.867 39.222 814 HE ARG 100 HE ARG 100 -0.250 -8.362 37.932 815 HH11 ARG 100 1HH1 ARG 100 -0.198 -6.995 41.133 816 HH12 ARG 100 2HH1 ARG 100 -1.038 -8.326 41.857 817 HH21 ARG 100 1HH2 ARG 100 -1.357 -10.120 38.873 818 HH22 ARG 100 2HH2 ARG 100 -1.696 -10.104 40.570 819 H ASP 101 H ASP 101 3.088 -8.999 34.384 820 HA ASP 101 HA ASP 101 5.870 -8.839 35.034 821 HB2 ASP 101 2HB ASP 101 4.714 -10.998 34.881 822 HB3 ASP 101 3HB ASP 101 4.407 -10.720 33.169 823 H LEU 102 H LEU 102 4.037 -8.653 31.988 824 HA LEU 102 HA LEU 102 6.301 -8.088 30.376 825 HB2 LEU 102 2HB LEU 102 3.359 -7.631 29.926 826 HB3 LEU 102 3HB LEU 102 4.593 -7.359 28.699 827 HG LEU 102 HG LEU 102 3.806 -9.991 29.940 828 HD11 LEU 102 1HD1 LEU 102 2.607 -8.666 27.912 829 HD12 LEU 102 2HD1 LEU 102 2.652 -10.422 28.062 830 HD13 LEU 102 3HD1 LEU 102 3.817 -9.596 27.029 831 HD21 LEU 102 3HD2 LEU 102 5.467 -10.701 27.980 832 HD22 LEU 102 1HD2 LEU 102 6.010 -10.434 29.636 833 HD23 LEU 102 2HD2 LEU 102 6.215 -9.167 28.426 834 H LYS 103 H LYS 103 4.151 -6.128 32.281 835 HA LYS 103 HA LYS 103 4.491 -3.626 31.142 836 HB2 LYS 103 2HB LYS 103 4.009 -4.558 33.948 837 HB3 LYS 103 3HB LYS 103 4.296 -2.851 33.637 838 HG2 LYS 103 2HG LYS 103 2.410 -3.462 31.760 839 HG3 LYS 103 3HG LYS 103 1.935 -4.485 33.117 840 HD2 LYS 103 2HD LYS 103 0.815 -2.570 33.669 841 HD3 LYS 103 3HD LYS 103 2.352 -2.256 34.479 842 HE2 LYS 103 2HE LYS 103 2.086 -1.398 31.651 843 HE3 LYS 103 3HE LYS 103 1.194 -0.483 32.866 844 HZ1 LYS 103 3HZ LYS 103 4.016 -0.545 32.330 845 HZ2 LYS 103 1HZ LYS 103 3.652 -0.738 33.970 846 HZ3 LYS 103 2HZ LYS 103 3.095 0.623 33.135 847 H LYS 104 H LYS 104 6.621 -5.413 33.301 848 HA LYS 104 HA LYS 104 8.446 -3.280 33.757 849 HB2 LYS 104 2HB LYS 104 8.084 -5.603 34.989 850 HB3 LYS 104 3HB LYS 104 9.343 -6.123 33.876 851 HG2 LYS 104 2HG LYS 104 10.511 -5.503 35.781 852 HG3 LYS 104 3HG LYS 104 10.660 -4.093 34.730 853 HD2 LYS 104 2HD LYS 104 9.147 -2.846 35.982 854 HD3 LYS 104 3HD LYS 104 8.431 -4.279 36.724 855 HE2 LYS 104 2HE LYS 104 10.652 -4.643 37.868 856 HE3 LYS 104 3HE LYS 104 11.115 -3.040 37.298 857 HZ1 LYS 104 3HZ LYS 104 9.696 -3.660 39.590 858 HZ2 LYS 104 1HZ LYS 104 8.581 -2.934 38.545 859 HZ3 LYS 104 2HZ LYS 104 10.005 -2.120 38.960 860 H LYS 105 H LYS 105 8.371 -5.991 31.479 861 HA LYS 105 HA LYS 105 10.892 -5.455 30.302 862 HB2 LYS 105 2HB LYS 105 8.555 -6.838 28.981 863 HB3 LYS 105 3HB LYS 105 10.263 -7.036 28.611 864 HG2 LYS 105 2HG LYS 105 8.961 -7.828 31.208 865 HG3 LYS 105 3HG LYS 105 9.323 -8.926 29.874 866 HD2 LYS 105 2HD LYS 105 11.352 -7.290 31.398 867 HD3 LYS 105 3HD LYS 105 11.036 -9.011 31.637 868 HE2 LYS 105 2HE LYS 105 11.500 -9.094 29.039 869 HE3 LYS 105 3HE LYS 105 12.392 -7.614 29.384 870 HZ1 LYS 105 3HZ LYS 105 13.933 -9.346 29.595 871 HZ2 LYS 105 1HZ LYS 105 12.866 -10.325 30.470 872 HZ3 LYS 105 2HZ LYS 105 13.528 -8.945 31.188 873 H LEU 106 H LEU 106 7.647 -4.290 29.697 874 HA LEU 106 HA LEU 106 8.340 -3.008 27.211 875 HB2 LEU 106 2HB LEU 106 6.119 -3.622 27.254 876 HB3 LEU 106 3HB LEU 106 5.914 -3.151 28.940 877 HG LEU 106 HG LEU 106 5.814 -0.824 28.332 878 HD11 LEU 106 1HD1 LEU 106 5.648 -0.778 25.556 879 HD12 LEU 106 2HD1 LEU 106 7.063 -1.769 25.908 880 HD13 LEU 106 3HD1 LEU 106 6.951 -0.132 26.554 881 HD21 LEU 106 3HD2 LEU 106 3.786 -0.836 26.932 882 HD22 LEU 106 1HD2 LEU 106 3.730 -2.047 28.213 883 HD23 LEU 106 2HD2 LEU 106 4.078 -2.535 26.554 884 H SER 107 H SER 107 7.838 -2.026 30.567 885 HA SER 107 HA SER 107 7.999 0.750 30.185 886 HB2 SER 107 2HB SER 107 7.181 -0.001 32.279 887 HB3 SER 107 3HB SER 107 8.595 -1.017 32.557 888 HG SER 107 HG SER 107 8.212 1.553 33.221 889 H ARG 108 H ARG 108 10.455 -1.717 30.419 890 HA ARG 108 HA ARG 108 12.621 0.166 30.727 891 HB2 ARG 108 2HB ARG 108 14.075 -1.783 30.583 892 HB3 ARG 108 3HB ARG 108 12.757 -2.086 31.707 893 HG2 ARG 108 2HG ARG 108 11.635 -3.483 30.149 894 HG3 ARG 108 3HG ARG 108 12.727 -3.007 28.846 895 HD2 ARG 108 2HD ARG 108 13.361 -5.188 29.616 896 HD3 ARG 108 3HD ARG 108 14.598 -4.035 30.115 897 HE ARG 108 HE ARG 108 12.582 -4.523 32.109 898 HH11 ARG 108 1HH1 ARG 108 15.624 -5.573 30.781 899 HH12 ARG 108 2HH1 ARG 108 16.135 -6.363 32.236 900 HH21 ARG 108 1HH2 ARG 108 13.244 -5.559 34.030 901 HH22 ARG 108 2HH2 ARG 108 14.780 -6.354 34.083 902 H VAL 109 H VAL 109 11.024 -1.533 28.131 903 HA VAL 109 HA VAL 109 13.051 -0.991 26.169 904 HB VAL 109 HB VAL 109 10.200 -1.946 25.910 905 HG11 VAL 109 1HG1 VAL 109 10.300 -1.258 23.788 906 HG12 VAL 109 2HG1 VAL 109 12.030 -0.924 23.888 907 HG13 VAL 109 3HG1 VAL 109 11.465 -2.559 23.546 908 HG21 VAL 109 3HG2 VAL 109 11.008 -4.029 26.055 909 HG22 VAL 109 1HG2 VAL 109 12.385 -3.661 25.016 910 HG23 VAL 109 2HG2 VAL 109 12.452 -3.279 26.736 911 H VAL 110 H VAL 110 9.876 0.376 26.970 912 HA VAL 110 HA VAL 110 9.645 2.217 24.907 913 HB VAL 110 HB VAL 110 7.819 1.769 26.462 914 HG11 VAL 110 1HG1 VAL 110 9.144 1.572 28.511 915 HG12 VAL 110 2HG1 VAL 110 9.446 3.311 28.481 916 HG13 VAL 110 3HG1 VAL 110 7.806 2.703 28.712 917 HG21 VAL 110 3HG2 VAL 110 7.654 3.806 25.219 918 HG22 VAL 110 1HG2 VAL 110 7.109 4.132 26.864 919 HG23 VAL 110 2HG2 VAL 110 8.715 4.645 26.350 920 H ASN 111 H ASN 111 11.494 2.395 27.887 921 HA ASN 111 HA ASN 111 12.114 5.155 27.750 922 HB2 ASN 111 2HB ASN 111 13.176 2.803 29.250 923 HB3 ASN 111 3HB ASN 111 14.161 4.262 29.190 924 HD21 ASN 111 1HD2 ASN 111 12.262 2.735 31.170 925 HD22 ASN 111 2HD2 ASN 111 11.425 4.036 31.940 926 H ILE 112 H ILE 112 13.620 2.269 26.427 927 HA ILE 112 HA ILE 112 16.098 3.199 25.685 928 HB ILE 112 HB ILE 112 14.304 1.395 24.056 929 HG12 ILE 112 2HG1 ILE 112 16.439 0.703 26.085 930 HG13 ILE 112 3HG1 ILE 112 14.707 0.640 26.390 931 HG21 ILE 112 1HG2 ILE 112 16.382 0.557 23.069 932 HG22 ILE 112 2HG2 ILE 112 16.152 2.272 22.737 933 HG23 ILE 112 3HG2 ILE 112 17.296 1.761 23.977 934 HD11 ILE 112 3HD1 ILE 112 15.148 -1.547 25.914 935 HD12 ILE 112 1HD1 ILE 112 14.714 -0.949 24.313 936 HD13 ILE 112 2HD1 ILE 112 16.411 -1.154 24.747 937 H LEU 113 H LEU 113 12.989 3.912 24.255 938 HA LEU 113 HA LEU 113 13.722 4.906 21.782 939 HB2 LEU 113 2HB LEU 113 11.532 5.587 23.697 940 HB3 LEU 113 3HB LEU 113 11.738 6.538 22.227 941 HG LEU 113 HG LEU 113 10.022 4.814 21.969 942 HD11 LEU 113 1HD1 LEU 113 10.842 3.845 19.896 943 HD12 LEU 113 2HD1 LEU 113 12.498 4.258 20.340 944 HD13 LEU 113 3HD1 LEU 113 11.324 5.537 20.026 945 HD21 LEU 113 3HD2 LEU 113 10.921 3.170 23.536 946 HD22 LEU 113 1HD2 LEU 113 12.276 2.866 22.448 947 HD23 LEU 113 2HD2 LEU 113 10.636 2.451 21.950 948 H LYS 114 H LYS 114 13.848 6.472 24.938 949 HA LYS 114 HA LYS 114 14.595 9.035 23.924 950 HB2 LYS 114 2HB LYS 114 14.661 9.730 26.125 951 HB3 LYS 114 3HB LYS 114 13.557 8.365 26.233 952 HG2 LYS 114 2HG LYS 114 15.721 7.014 26.760 953 HG3 LYS 114 3HG LYS 114 16.378 8.600 27.170 954 HD2 LYS 114 2HD LYS 114 13.755 7.667 28.289 955 HD3 LYS 114 3HD LYS 114 15.284 7.203 29.038 956 HE2 LYS 114 2HE LYS 114 15.775 9.358 29.684 957 HE3 LYS 114 3HE LYS 114 14.782 10.076 28.417 958 HZ1 LYS 114 3HZ LYS 114 14.070 9.353 31.092 959 HZ2 LYS 114 1HZ LYS 114 13.000 8.704 29.952 960 HZ3 LYS 114 2HZ LYS 114 13.272 10.373 30.003 961 H GLU 115 H GLU 115 16.313 6.156 24.889 962 HA GLU 115 HA GLU 115 18.880 7.338 25.149 963 HB2 GLU 115 2HB GLU 115 17.816 4.567 24.919 964 HB3 GLU 115 3HB GLU 115 19.523 4.814 24.580 965 HG2 GLU 115 2HG GLU 115 19.746 5.907 26.798 966 HG3 GLU 115 3HG GLU 115 18.070 5.473 27.130 967 H ARG 116 H ARG 116 17.326 5.536 22.503 968 HA ARG 116 HA ARG 116 19.527 6.074 20.712 969 HB2 ARG 116 2HB ARG 116 16.835 4.922 19.988 970 HB3 ARG 116 3HB ARG 116 18.351 4.747 19.115 971 HG2 ARG 116 2HG ARG 116 17.672 3.557 21.796 972 HG3 ARG 116 3HG ARG 116 17.830 2.698 20.262 973 HD2 ARG 116 2HD ARG 116 20.028 4.179 21.702 974 HD3 ARG 116 3HD ARG 116 19.827 2.428 21.643 975 HE ARG 116 HE ARG 116 19.955 3.418 19.021 976 HH11 ARG 116 1HH1 ARG 116 21.979 2.990 21.821 977 HH12 ARG 116 2HH1 ARG 116 23.439 2.830 20.902 978 HH21 ARG 116 1HH2 ARG 116 21.870 3.209 17.800 979 HH22 ARG 116 2HH2 ARG 116 23.376 2.956 18.615 980 H ASN 117 H ASN 117 16.649 7.635 21.643 981 HA ASN 117 HA ASN 117 15.637 9.556 20.966 982 HB2 ASN 117 2HB ASN 117 17.916 10.045 19.063 983 HB3 ASN 117 3HB ASN 117 16.937 11.223 19.932 984 HD21 ASN 117 1HD2 ASN 117 19.781 9.414 19.920 985 HD22 ASN 117 2HD2 ASN 117 20.327 9.799 21.513 986 H ILE 118 H ILE 118 14.804 7.240 19.733 987 HA ILE 118 HA ILE 118 14.762 7.381 16.908 988 HB ILE 118 HB ILE 118 12.707 6.056 18.677 989 HG12 ILE 118 2HG1 ILE 118 14.925 5.294 19.323 990 HG13 ILE 118 3HG1 ILE 118 14.099 4.020 18.434 991 HG21 ILE 118 1HG2 ILE 118 11.806 5.231 16.818 992 HG22 ILE 118 2HG2 ILE 118 12.806 6.371 15.919 993 HG23 ILE 118 3HG2 ILE 118 13.380 4.728 16.202 994 HD11 ILE 118 3HD1 ILE 118 16.167 5.886 17.297 995 HD12 ILE 118 1HD1 ILE 118 16.442 4.216 17.792 996 HD13 ILE 118 2HD1 ILE 118 15.367 4.569 16.440 997 H PHE 119 H PHE 119 11.976 7.812 19.090 998 HA PHE 119 HA PHE 119 10.663 9.462 17.102 999 HB2 PHE 119 2HB PHE 119 9.684 8.751 19.872 1000 HB3 PHE 119 3HB PHE 119 8.722 9.338 18.520 1001 HD1 PHE 119 HD2 PHE 119 9.691 7.682 16.311 1002 HD2 PHE 119 HD1 PHE 119 8.854 6.649 20.354 1003 HE1 PHE 119 HE2 PHE 119 9.245 5.363 15.622 1004 HE2 PHE 119 HE1 PHE 119 8.407 4.327 19.672 1005 HZ PHE 119 HZ PHE 119 8.601 3.682 17.303 1006 H SER 120 H SER 120 9.605 11.516 17.792 1007 HA SER 120 HA SER 120 11.582 13.232 19.000 1008 HB2 SER 120 2HB SER 120 9.970 13.710 16.976 1009 HB3 SER 120 3HB SER 120 8.845 14.189 18.247 1010 HG SER 120 HG SER 120 11.398 15.271 17.673 1011 H LYS 121 H LYS 121 10.658 15.028 20.503 1012 HA LYS 121 HA LYS 121 10.003 13.840 22.954 1013 HB2 LYS 121 2HB LYS 121 11.013 16.204 22.333 1014 HB3 LYS 121 3HB LYS 121 9.332 16.708 22.453 1015 HG2 LYS 121 2HG LYS 121 9.981 17.085 24.592 1016 HG3 LYS 121 3HG LYS 121 9.482 15.398 24.746 1017 HD2 LYS 121 2HD LYS 121 11.574 15.502 25.805 1018 HD3 LYS 121 3HD LYS 121 11.912 14.814 24.215 1019 HE2 LYS 121 2HE LYS 121 12.474 17.140 23.447 1020 HE3 LYS 121 3HE LYS 121 12.360 17.649 25.131 1021 HZ1 LYS 121 3HZ LYS 121 14.586 17.209 24.923 1022 HZ2 LYS 121 1HZ LYS 121 14.362 15.925 23.844 1023 HZ3 LYS 121 2HZ LYS 121 14.032 15.714 25.490 1024 H GLN 122 H GLN 122 7.980 15.562 20.606 1025 HA GLN 122 HA GLN 122 5.603 15.593 22.062 1026 HB2 GLN 122 2HB GLN 122 6.305 16.583 19.685 1027 HB3 GLN 122 3HB GLN 122 5.456 15.149 19.124 1028 HG2 GLN 122 2HG GLN 122 3.604 16.005 20.784 1029 HG3 GLN 122 3HG GLN 122 4.410 17.550 20.522 1030 HE21 GLN 122 1HE2 GLN 122 3.546 18.714 18.976 1031 HE22 GLN 122 2HE2 GLN 122 2.757 18.116 17.561 1032 H VAL 123 H VAL 123 7.108 13.045 20.197 1033 HA VAL 123 HA VAL 123 4.802 11.328 20.224 1034 HB VAL 123 HB VAL 123 7.676 10.604 19.641 1035 HG11 VAL 123 1HG1 VAL 123 5.080 9.170 19.422 1036 HG12 VAL 123 2HG1 VAL 123 6.306 8.879 18.186 1037 HG13 VAL 123 3HG1 VAL 123 6.671 8.565 19.883 1038 HG21 VAL 123 3HG2 VAL 123 5.506 11.342 17.682 1039 HG22 VAL 123 1HG2 VAL 123 6.789 12.433 18.205 1040 HG23 VAL 123 2HG2 VAL 123 7.189 10.962 17.317 1041 H VAL 124 H VAL 124 7.996 11.195 21.810 1042 HA VAL 124 HA VAL 124 7.527 8.979 23.420 1043 HB VAL 124 HB VAL 124 9.244 11.385 24.048 1044 HG11 VAL 124 1HG1 VAL 124 10.292 9.011 25.159 1045 HG12 VAL 124 2HG1 VAL 124 9.671 10.429 26.006 1046 HG13 VAL 124 3HG1 VAL 124 8.591 9.090 25.615 1047 HG21 VAL 124 3HG2 VAL 124 9.813 10.312 21.922 1048 HG22 VAL 124 1HG2 VAL 124 11.074 10.060 23.129 1049 HG23 VAL 124 2HG2 VAL 124 9.950 8.757 22.742 1050 H ASN 125 H ASN 125 7.001 12.419 24.146 1051 HA ASN 125 HA ASN 125 6.144 12.161 26.777 1052 HB2 ASN 125 2HB ASN 125 5.703 14.173 24.619 1053 HB3 ASN 125 3HB ASN 125 4.697 14.274 26.061 1054 HD21 ASN 125 1HD2 ASN 125 6.921 15.954 24.929 1055 HD22 ASN 125 2HD2 ASN 125 8.014 16.162 26.251 1056 H ASP 126 H ASP 126 4.524 11.391 23.820 1057 HA ASP 126 HA ASP 126 1.870 11.376 24.893 1058 HB2 ASP 126 2HB ASP 126 2.464 11.637 22.449 1059 HB3 ASP 126 3HB ASP 126 2.846 9.918 22.435 1060 H ILE 127 H ILE 127 4.333 8.914 24.261 1061 HA ILE 127 HA ILE 127 2.876 6.629 24.833 1062 HB ILE 127 HB ILE 127 5.781 7.157 25.473 1063 HG12 ILE 127 2HG1 ILE 127 4.826 5.584 23.117 1064 HG13 ILE 127 3HG1 ILE 127 4.766 7.342 23.039 1065 HG21 ILE 127 1HG2 ILE 127 4.088 4.717 25.602 1066 HG22 ILE 127 2HG2 ILE 127 5.755 4.553 25.055 1067 HG23 ILE 127 3HG2 ILE 127 5.413 5.231 26.646 1068 HD11 ILE 127 3HD1 ILE 127 7.015 5.551 22.775 1069 HD12 ILE 127 1HD1 ILE 127 6.867 7.254 22.342 1070 HD13 ILE 127 2HD1 ILE 127 7.304 6.797 23.989 1071 H GLU 128 H GLU 128 4.813 8.595 27.089 1072 HA GLU 128 HA GLU 128 4.246 7.133 29.401 1073 HB2 GLU 128 2HB GLU 128 4.734 10.111 29.232 1074 HB3 GLU 128 3HB GLU 128 4.974 9.086 30.640 1075 HG2 GLU 128 2HG GLU 128 6.649 7.810 29.173 1076 HG3 GLU 128 3HG GLU 128 6.583 9.224 28.122 1077 H ARG 129 H ARG 129 2.664 10.079 28.170 1078 HA ARG 129 HA ARG 129 0.733 10.349 30.143 1079 HB2 ARG 129 2HB ARG 129 0.513 11.008 27.200 1080 HB3 ARG 129 3HB ARG 129 -0.577 11.595 28.449 1081 HG2 ARG 129 2HG ARG 129 2.328 12.102 28.785 1082 HG3 ARG 129 3HG ARG 129 1.448 13.038 27.574 1083 HD2 ARG 129 2HD ARG 129 -0.260 13.306 29.591 1084 HD3 ARG 129 3HD ARG 129 1.208 13.041 30.532 1085 HE ARG 129 HE ARG 129 1.911 15.134 29.944 1086 HH11 ARG 129 1HH1 ARG 129 -0.633 14.148 27.781 1087 HH12 ARG 129 2HH1 ARG 129 -0.750 15.692 27.005 1088 HH21 ARG 129 1HH2 ARG 129 1.767 17.172 28.929 1089 HH22 ARG 129 2HH2 ARG 129 0.617 17.411 27.658 1090 H SER 130 H SER 130 0.719 8.355 27.233 1091 HA SER 130 HA SER 130 -1.931 7.550 27.197 1092 HB2 SER 130 2HB SER 130 0.492 5.867 26.514 1093 HB3 SER 130 3HB SER 130 -1.162 5.561 25.983 1094 HG SER 130 HG SER 130 -1.086 7.568 24.878 1095 H LEU 131 H LEU 131 0.724 6.425 29.201 1096 HA LEU 131 HA LEU 131 -0.804 4.256 30.335 1097 HB2 LEU 131 2HB LEU 131 1.721 5.349 31.511 1098 HB3 LEU 131 3HB LEU 131 1.112 3.695 31.529 1099 HG LEU 131 HG LEU 131 2.363 5.151 29.204 1100 HD11 LEU 131 1HD1 LEU 131 3.225 2.841 30.928 1101 HD12 LEU 131 2HD1 LEU 131 4.031 4.394 30.709 1102 HD13 LEU 131 3HD1 LEU 131 3.978 3.233 29.382 1103 HD21 LEU 131 3HD2 LEU 131 2.071 2.474 28.542 1104 HD22 LEU 131 1HD2 LEU 131 1.151 3.829 27.886 1105 HD23 LEU 131 2HD2 LEU 131 0.521 2.917 29.258 1106 H ALA 132 H ALA 132 0.333 7.443 31.391 1107 HA ALA 132 HA ALA 132 -0.491 7.414 34.024 1108 HB1 ALA 132 1HB ALA 132 -0.983 9.972 33.443 1109 HB2 ALA 132 2HB ALA 132 0.651 9.324 33.596 1110 HB3 ALA 132 3HB ALA 132 -0.070 9.530 32.000 1111 H ALA 133 H ALA 133 -2.404 7.804 31.117 1112 HA ALA 133 HA ALA 133 -4.770 8.760 32.327 1113 HB1 ALA 133 1HB ALA 133 -4.981 9.067 30.107 1114 HB2 ALA 133 2HB ALA 133 -4.009 7.650 29.710 1115 HB3 ALA 133 3HB ALA 133 -5.705 7.459 30.154 1116 H ALA 134 H ALA 134 -3.674 5.482 31.517 1117 HA ALA 134 HA ALA 134 -6.043 4.233 32.540 1118 HB1 ALA 134 1HB ALA 134 -4.117 3.430 30.823 1119 HB2 ALA 134 2HB ALA 134 -3.612 2.597 32.294 1120 HB3 ALA 134 3HB ALA 134 -5.231 2.336 31.645 1121 H LEU 135 H LEU 135 -3.058 5.312 33.881 1122 HA LEU 135 HA LEU 135 -2.741 3.621 36.062 1123 HB2 LEU 135 2HB LEU 135 -1.281 5.576 35.200 1124 HB3 LEU 135 3HB LEU 135 -2.264 6.570 36.274 1125 HG LEU 135 HG LEU 135 -0.742 4.168 37.255 1126 HD11 LEU 135 1HD1 LEU 135 0.592 6.134 36.088 1127 HD12 LEU 135 2HD1 LEU 135 1.168 5.365 37.567 1128 HD13 LEU 135 3HD1 LEU 135 0.322 6.910 37.649 1129 HD21 LEU 135 3HD2 LEU 135 -2.479 6.181 38.418 1130 HD22 LEU 135 1HD2 LEU 135 -0.911 6.102 39.222 1131 HD23 LEU 135 2HD2 LEU 135 -1.908 4.653 39.090 1132 H GLU 136 H GLU 136 -4.915 6.339 35.599 1133 HA GLU 136 HA GLU 136 -5.790 6.392 38.336 1134 HB2 GLU 136 2HB GLU 136 -5.818 8.297 36.542 1135 HB3 GLU 136 3HB GLU 136 -7.358 7.586 36.080 1136 HG2 GLU 136 2HG GLU 136 -8.349 8.096 38.122 1137 HG3 GLU 136 3HG GLU 136 -6.796 8.330 38.922 1138 H HIS 137 H HIS 137 -6.981 4.816 39.169 1139 HA HIS 137 HA HIS 137 -8.326 2.829 37.789 1140 HB2 HIS 137 2HB HIS 137 -8.663 3.927 40.571 1141 HB3 HIS 137 3HB HIS 137 -9.663 2.602 39.984 1142 HD1 HIS 137 HD1 HIS 137 -8.615 0.297 39.891 1143 HD2 HIS 137 HD2 HIS 137 -5.894 3.286 40.851 1144 HE1 HIS 137 HE1 HIS 137 -6.524 -0.902 40.607 1145 H HIS 138 H HIS 138 -9.594 5.879 39.080 1146 HA HIS 138 HA HIS 138 -12.272 5.393 38.227 1147 HB2 HIS 138 2HB HIS 138 -10.838 7.900 39.106 1148 HB3 HIS 138 3HB HIS 138 -12.548 7.868 38.685 1149 HD1 HIS 138 HD1 HIS 138 -13.882 5.861 40.156 1150 HD2 HIS 138 HD2 HIS 138 -10.458 7.588 41.753 1151 HE1 HIS 138 HE1 HIS 138 -13.991 5.407 42.627 Start of MODEL 5 1 H ALA 2 H ALA 2 7.658 -8.343 -4.881 2 HA ALA 2 HA ALA 2 6.595 -5.606 -5.036 3 HB1 ALA 2 1HB ALA 2 5.615 -8.066 -5.993 4 HB2 ALA 2 2HB ALA 2 4.541 -7.563 -4.687 5 HB3 ALA 2 3HB ALA 2 4.832 -6.487 -6.054 6 H PHE 3 H PHE 3 4.656 -5.299 -3.467 7 HA PHE 3 HA PHE 3 5.342 -6.394 -0.824 8 HB2 PHE 3 2HB PHE 3 6.265 -4.187 -0.826 9 HB3 PHE 3 3HB PHE 3 4.808 -3.512 -1.549 10 HD1 PHE 3 HD2 PHE 3 5.466 -5.717 1.392 11 HD2 PHE 3 HD1 PHE 3 3.720 -2.128 -0.087 12 HE1 PHE 3 HE2 PHE 3 4.587 -5.223 3.636 13 HE2 PHE 3 HE1 PHE 3 2.839 -1.628 2.155 14 HZ PHE 3 HZ PHE 3 3.271 -3.177 4.020 15 H SER 4 H SER 4 3.652 -6.891 0.499 16 HA SER 4 HA SER 4 0.952 -6.088 -0.265 17 HB2 SER 4 2HB SER 4 1.665 -8.362 -1.331 18 HB3 SER 4 3HB SER 4 1.447 -8.996 0.300 19 HG SER 4 HG SER 4 -0.411 -8.716 -1.447 20 H SER 5 H SER 5 -0.344 -5.752 1.448 21 HA SER 5 HA SER 5 0.675 -5.555 4.025 22 HB2 SER 5 2HB SER 5 -2.099 -5.587 2.892 23 HB3 SER 5 3HB SER 5 -1.881 -5.618 4.642 24 HG SER 5 HG SER 5 -2.036 -3.485 3.902 25 H GLU 6 H GLU 6 -0.682 -8.276 2.367 26 HA GLU 6 HA GLU 6 -1.354 -9.844 4.630 27 HB2 GLU 6 2HB GLU 6 -2.152 -10.238 2.280 28 HB3 GLU 6 3HB GLU 6 -0.546 -10.842 1.896 29 HG2 GLU 6 2HG GLU 6 -1.970 -12.705 2.306 30 HG3 GLU 6 3HG GLU 6 -0.836 -12.573 3.649 31 H GLN 7 H GLN 7 1.611 -9.317 2.851 32 HA GLN 7 HA GLN 7 3.071 -11.509 3.868 33 HB2 GLN 7 2HB GLN 7 3.620 -9.108 2.309 34 HB3 GLN 7 3HB GLN 7 4.943 -9.521 3.392 35 HG2 GLN 7 2HG GLN 7 4.606 -11.918 2.402 36 HG3 GLN 7 3HG GLN 7 3.840 -11.037 1.081 37 HE21 GLN 7 1HE2 GLN 7 5.120 -10.413 -0.498 38 HE22 GLN 7 2HE2 GLN 7 6.829 -10.188 -0.396 39 H PHE 8 H PHE 8 3.013 -8.086 4.855 40 HA PHE 8 HA PHE 8 4.757 -8.310 7.020 41 HB2 PHE 8 2HB PHE 8 4.023 -6.157 6.065 42 HB3 PHE 8 3HB PHE 8 2.410 -6.425 6.719 43 HD1 PHE 8 HD2 PHE 8 5.859 -6.736 8.114 44 HD2 PHE 8 HD1 PHE 8 1.983 -5.015 8.470 45 HE1 PHE 8 HE2 PHE 8 6.538 -5.651 10.216 46 HE2 PHE 8 HE1 PHE 8 2.655 -3.927 10.572 47 HZ PHE 8 HZ PHE 8 4.935 -4.245 11.448 48 H THR 9 H THR 9 1.217 -8.568 6.927 49 HA THR 9 HA THR 9 0.869 -9.011 9.692 50 HB THR 9 HB THR 9 -1.006 -10.162 7.651 51 HG1 THR 9 HG1 THR 9 -1.247 -8.241 6.815 52 HG21 THR 9 3HG2 THR 9 -1.863 -10.557 9.754 53 HG22 THR 9 1HG2 THR 9 -2.594 -8.995 9.384 54 HG23 THR 9 2HG2 THR 9 -1.176 -9.080 10.429 55 H THR 10 H THR 10 0.874 -11.307 6.964 56 HA THR 10 HA THR 10 0.608 -13.644 8.465 57 HB THR 10 HB THR 10 2.042 -13.268 5.829 58 HG1 THR 10 HG1 THR 10 -0.647 -13.885 6.524 59 HG21 THR 10 3HG2 THR 10 1.569 -15.622 7.507 60 HG22 THR 10 1HG2 THR 10 2.703 -15.389 6.177 61 HG23 THR 10 2HG2 THR 10 1.023 -15.808 5.840 62 H LYS 11 H LYS 11 3.456 -11.753 7.649 63 HA LYS 11 HA LYS 11 5.344 -13.676 8.596 64 HB2 LYS 11 2HB LYS 11 5.511 -10.757 7.887 65 HB3 LYS 11 3HB LYS 11 6.884 -11.607 8.583 66 HG2 LYS 11 2HG LYS 11 5.522 -12.726 6.176 67 HG3 LYS 11 3HG LYS 11 6.654 -11.383 6.004 68 HD2 LYS 11 2HD LYS 11 8.246 -12.846 7.419 69 HD3 LYS 11 3HD LYS 11 7.163 -14.171 6.983 70 HE2 LYS 11 2HE LYS 11 8.808 -14.242 5.336 71 HE3 LYS 11 3HE LYS 11 7.488 -13.364 4.565 72 HZ1 LYS 11 3HZ LYS 11 9.780 -12.035 5.897 73 HZ2 LYS 11 1HZ LYS 11 8.598 -11.313 4.926 74 HZ3 LYS 11 2HZ LYS 11 9.727 -12.368 4.240 75 H LEU 12 H LEU 12 3.605 -10.988 10.017 76 HA LEU 12 HA LEU 12 5.138 -10.850 12.412 77 HB2 LEU 12 2HB LEU 12 2.486 -9.798 11.528 78 HB3 LEU 12 3HB LEU 12 2.933 -9.717 13.231 79 HG LEU 12 HG LEU 12 4.763 -8.588 11.150 80 HD11 LEU 12 1HD1 LEU 12 3.371 -6.417 12.025 81 HD12 LEU 12 2HD1 LEU 12 2.091 -7.616 11.844 82 HD13 LEU 12 3HD1 LEU 12 3.127 -7.219 10.473 83 HD21 LEU 12 3HD2 LEU 12 5.898 -8.214 13.034 84 HD22 LEU 12 1HD2 LEU 12 4.503 -8.585 14.048 85 HD23 LEU 12 2HD2 LEU 12 4.698 -6.966 13.375 86 H ASN 13 H ASN 13 2.325 -12.674 11.392 87 HA ASN 13 HA ASN 13 1.797 -13.686 14.048 88 HB2 ASN 13 2HB ASN 13 0.616 -14.298 11.337 89 HB3 ASN 13 3HB ASN 13 0.127 -15.141 12.804 90 HD21 ASN 13 1HD2 ASN 13 -0.608 -12.659 10.793 91 HD22 ASN 13 2HD2 ASN 13 -1.547 -11.683 11.866 92 H THR 14 H THR 14 4.131 -14.314 11.847 93 HA THR 14 HA THR 14 4.281 -17.171 12.557 94 HB THR 14 HB THR 14 5.777 -17.422 10.581 95 HG1 THR 14 HG1 THR 14 6.338 -15.715 9.450 96 HG21 THR 14 3HG2 THR 14 3.753 -18.154 9.891 97 HG22 THR 14 1HG2 THR 14 3.770 -16.682 8.922 98 HG23 THR 14 2HG2 THR 14 2.919 -16.710 10.466 99 H LEU 15 H LEU 15 6.031 -14.133 12.379 100 HA LEU 15 HA LEU 15 8.605 -14.974 12.958 101 HB2 LEU 15 2HB LEU 15 9.092 -12.788 13.327 102 HB3 LEU 15 3HB LEU 15 7.541 -12.600 12.511 103 HG LEU 15 HG LEU 15 6.648 -12.644 15.011 104 HD11 LEU 15 1HD1 LEU 15 8.581 -12.946 16.254 105 HD12 LEU 15 2HD1 LEU 15 8.342 -11.200 16.315 106 HD13 LEU 15 3HD1 LEU 15 9.536 -11.887 15.215 107 HD21 LEU 15 3HD2 LEU 15 7.691 -10.012 14.598 108 HD22 LEU 15 1HD2 LEU 15 6.039 -10.599 14.404 109 HD23 LEU 15 2HD2 LEU 15 7.171 -10.690 13.054 110 H GLU 16 H GLU 16 9.737 -15.446 14.800 111 HA GLU 16 HA GLU 16 8.120 -15.858 17.228 112 HB2 GLU 16 2HB GLU 16 9.691 -17.672 15.789 113 HB3 GLU 16 3HB GLU 16 10.642 -17.282 17.216 114 HG2 GLU 16 2HG GLU 16 8.334 -17.704 18.429 115 HG3 GLU 16 3HG GLU 16 8.037 -18.680 16.992 116 H ASP 17 H ASP 17 9.581 -15.922 19.260 117 HA ASP 17 HA ASP 17 10.885 -13.354 19.413 118 HB2 ASP 17 2HB ASP 17 10.834 -15.352 21.653 119 HB3 ASP 17 3HB ASP 17 10.796 -13.593 21.736 120 H SER 18 H SER 18 12.726 -13.640 18.107 121 HA SER 18 HA SER 18 14.947 -14.888 19.502 122 HB2 SER 18 2HB SER 18 13.833 -15.895 16.934 123 HB3 SER 18 3HB SER 18 15.589 -15.820 17.073 124 HG SER 18 HG SER 18 15.553 -17.377 18.513 125 H GLN 19 H GLN 19 16.971 -14.060 18.913 126 HA GLN 19 HA GLN 19 17.070 -11.388 18.176 127 HB2 GLN 19 2HB GLN 19 18.846 -12.855 19.342 128 HB3 GLN 19 3HB GLN 19 19.381 -13.257 17.716 129 HG2 GLN 19 2HG GLN 19 20.661 -11.424 18.771 130 HG3 GLN 19 3HG GLN 19 19.898 -10.975 17.247 131 HE21 GLN 19 1HE2 GLN 19 18.355 -9.410 17.219 132 HE22 GLN 19 2HE2 GLN 19 17.918 -8.469 18.600 133 H GLU 20 H GLU 20 17.643 -14.276 16.199 134 HA GLU 20 HA GLU 20 18.211 -12.770 13.828 135 HB2 GLU 20 2HB GLU 20 17.691 -15.688 14.361 136 HB3 GLU 20 3HB GLU 20 17.912 -15.067 12.731 137 HG2 GLU 20 2HG GLU 20 20.116 -14.132 13.508 138 HG3 GLU 20 3HG GLU 20 19.891 -15.061 14.989 139 H SER 21 H SER 21 15.383 -14.290 15.235 140 HA SER 21 HA SER 21 13.691 -14.296 13.017 141 HB2 SER 21 2HB SER 21 13.126 -15.424 15.121 142 HB3 SER 21 3HB SER 21 12.972 -13.864 15.928 143 HG SER 21 HG SER 21 11.356 -14.921 13.855 144 H ILE 22 H ILE 22 14.131 -11.789 15.503 145 HA ILE 22 HA ILE 22 12.314 -9.945 14.378 146 HB ILE 22 HB ILE 22 14.695 -9.426 16.163 147 HG12 ILE 22 2HG1 ILE 22 12.983 -10.958 17.105 148 HG13 ILE 22 3HG1 ILE 22 13.091 -9.438 17.986 149 HG21 ILE 22 1HG2 ILE 22 13.026 -7.415 16.717 150 HG22 ILE 22 2HG2 ILE 22 14.280 -7.305 15.484 151 HG23 ILE 22 3HG2 ILE 22 12.616 -7.661 15.020 152 HD11 ILE 22 3HD1 ILE 22 10.984 -10.223 15.990 153 HD12 ILE 22 1HD1 ILE 22 10.791 -10.053 17.735 154 HD13 ILE 22 2HD1 ILE 22 11.116 -8.632 16.741 155 H SER 23 H SER 23 15.746 -10.522 13.878 156 HA SER 23 HA SER 23 16.287 -8.178 12.392 157 HB2 SER 23 2HB SER 23 17.998 -9.712 13.450 158 HB3 SER 23 3HB SER 23 17.713 -10.830 12.116 159 HG SER 23 HG SER 23 18.168 -8.790 10.804 160 H SER 24 H SER 24 15.312 -11.445 11.446 161 HA SER 24 HA SER 24 15.546 -11.208 8.690 162 HB2 SER 24 2HB SER 24 13.354 -12.722 10.122 163 HB3 SER 24 3HB SER 24 14.020 -13.064 8.525 164 HG SER 24 HG SER 24 15.896 -13.750 9.451 165 H ALA 25 H ALA 25 12.772 -10.428 10.767 166 HA ALA 25 HA ALA 25 11.151 -9.499 8.604 167 HB1 ALA 25 1HB ALA 25 9.917 -10.262 10.417 168 HB2 ALA 25 2HB ALA 25 10.918 -9.402 11.588 169 HB3 ALA 25 3HB ALA 25 9.795 -8.508 10.562 170 H SER 26 H SER 26 13.048 -7.900 11.147 171 HA SER 26 HA SER 26 12.405 -5.264 10.595 172 HB2 SER 26 2HB SER 26 14.323 -4.652 11.830 173 HB3 SER 26 3HB SER 26 13.849 -6.214 12.496 174 HG SER 26 HG SER 26 15.420 -7.110 10.949 175 H LYS 27 H LYS 27 14.870 -7.318 9.104 176 HA LYS 27 HA LYS 27 16.111 -5.395 7.508 177 HB2 LYS 27 2HB LYS 27 15.714 -8.360 7.138 178 HB3 LYS 27 3HB LYS 27 16.645 -7.390 6.005 179 HG2 LYS 27 2HG LYS 27 18.345 -7.016 7.508 180 HG3 LYS 27 3HG LYS 27 17.307 -7.289 8.910 181 HD2 LYS 27 2HD LYS 27 17.386 -9.611 8.663 182 HD3 LYS 27 3HD LYS 27 17.933 -9.506 6.988 183 HE2 LYS 27 2HE LYS 27 19.626 -8.429 9.210 184 HE3 LYS 27 3HE LYS 27 19.624 -10.154 8.848 185 HZ1 LYS 27 3HZ LYS 27 21.381 -9.200 7.623 186 HZ2 LYS 27 1HZ LYS 27 20.416 -7.930 7.057 187 HZ3 LYS 27 2HZ LYS 27 20.153 -9.505 6.500 188 H TRP 28 H TRP 28 13.283 -7.427 6.857 189 HA TRP 28 HA TRP 28 12.898 -6.589 4.189 190 HB2 TRP 28 2HB TRP 28 11.871 -8.624 5.159 191 HB3 TRP 28 3HB TRP 28 10.833 -7.606 6.153 192 HD1 TRP 28 HD1 TRP 28 11.593 -7.769 2.336 193 HE1 TRP 28 HE1 TRP 28 9.348 -7.618 1.086 194 HE3 TRP 28 HE3 TRP 28 8.451 -7.401 6.352 195 HZ2 TRP 28 HZ2 TRP 28 6.608 -7.375 1.719 196 HZ3 TRP 28 HZ3 TRP 28 6.032 -7.213 5.944 197 HH2 TRP 28 HH2 TRP 28 5.131 -7.200 3.675 198 H LEU 29 H LEU 29 11.640 -5.396 7.270 199 HA LEU 29 HA LEU 29 9.896 -3.464 6.128 200 HB2 LEU 29 2HB LEU 29 11.057 -3.872 8.861 201 HB3 LEU 29 3HB LEU 29 10.085 -2.450 8.486 202 HG LEU 29 HG LEU 29 8.939 -5.131 7.893 203 HD11 LEU 29 1HD1 LEU 29 10.033 -4.745 10.359 204 HD12 LEU 29 2HD1 LEU 29 8.667 -5.803 10.009 205 HD13 LEU 29 3HD1 LEU 29 8.385 -4.165 10.597 206 HD21 LEU 29 3HD2 LEU 29 6.976 -4.023 7.888 207 HD22 LEU 29 1HD2 LEU 29 8.008 -2.616 7.627 208 HD23 LEU 29 2HD2 LEU 29 7.429 -2.995 9.249 209 H LEU 30 H LEU 30 13.264 -3.457 7.077 210 HA LEU 30 HA LEU 30 13.758 -0.721 7.175 211 HB2 LEU 30 2HB LEU 30 15.261 -2.958 7.451 212 HB3 LEU 30 3HB LEU 30 15.843 -2.359 5.899 213 HG LEU 30 HG LEU 30 17.314 -1.527 7.557 214 HD11 LEU 30 1HD1 LEU 30 16.660 0.076 5.817 215 HD12 LEU 30 2HD1 LEU 30 17.067 0.873 7.336 216 HD13 LEU 30 3HD1 LEU 30 15.378 0.679 6.868 217 HD21 LEU 30 3HD2 LEU 30 15.814 -1.902 9.484 218 HD22 LEU 30 1HD2 LEU 30 14.913 -0.454 9.033 219 HD23 LEU 30 2HD2 LEU 30 16.602 -0.324 9.525 220 H LEU 31 H LEU 31 13.467 -2.881 4.423 221 HA LEU 31 HA LEU 31 14.190 -0.753 2.566 222 HB2 LEU 31 2HB LEU 31 13.234 -3.485 1.791 223 HB3 LEU 31 3HB LEU 31 14.278 -2.384 0.894 224 HG LEU 31 HG LEU 31 15.065 -3.896 3.384 225 HD11 LEU 31 1HD1 LEU 31 16.647 -4.926 1.553 226 HD12 LEU 31 2HD1 LEU 31 15.326 -4.472 0.477 227 HD13 LEU 31 3HD1 LEU 31 15.027 -5.568 1.826 228 HD21 LEU 31 3HD2 LEU 31 16.599 -2.265 3.505 229 HD22 LEU 31 1HD2 LEU 31 16.292 -1.717 1.857 230 HD23 LEU 31 2HD2 LEU 31 17.354 -3.095 2.144 231 H GLN 32 H GLN 32 11.618 -1.042 4.270 232 HA GLN 32 HA GLN 32 9.704 -0.724 2.056 233 HB2 GLN 32 2HB GLN 32 9.210 -1.498 4.935 234 HB3 GLN 32 3HB GLN 32 7.947 -1.221 3.743 235 HG2 GLN 32 2HG GLN 32 10.029 -3.172 3.005 236 HG3 GLN 32 3HG GLN 32 8.946 -3.636 4.316 237 HE21 GLN 32 1HE2 GLN 32 9.282 -4.557 1.482 238 HE22 GLN 32 2HE2 GLN 32 7.692 -4.484 0.810 239 H TYR 33 H TYR 33 11.540 1.311 3.129 240 HA TYR 33 HA TYR 33 10.351 3.119 4.856 241 HB2 TYR 33 2HB TYR 33 11.701 4.858 3.544 242 HB3 TYR 33 3HB TYR 33 12.596 3.530 4.273 243 HD1 TYR 33 HD2 TYR 33 11.113 4.676 1.063 244 HD2 TYR 33 HD1 TYR 33 13.976 2.166 2.961 245 HE1 TYR 33 HE2 TYR 33 12.084 4.135 -1.131 246 HE2 TYR 33 HE1 TYR 33 14.956 1.619 0.773 247 HH TYR 33 HH TYR 33 14.942 3.031 -1.654 248 H ARG 34 H ARG 34 9.660 2.458 1.510 249 HA ARG 34 HA ARG 34 8.245 4.825 0.901 250 HB2 ARG 34 2HB ARG 34 7.805 2.078 -0.280 251 HB3 ARG 34 3HB ARG 34 7.381 3.620 -1.010 252 HG2 ARG 34 2HG ARG 34 9.862 4.161 -0.943 253 HG3 ARG 34 3HG ARG 34 10.110 2.452 -0.579 254 HD2 ARG 34 2HD ARG 34 10.341 2.879 -2.967 255 HD3 ARG 34 3HD ARG 34 8.953 1.842 -2.642 256 HE ARG 34 HE ARG 34 8.299 4.636 -2.814 257 HH11 ARG 34 1HH1 ARG 34 8.767 1.686 -4.602 258 HH12 ARG 34 2HH1 ARG 34 7.774 2.180 -5.932 259 HH21 ARG 34 1HH2 ARG 34 6.989 5.299 -4.560 260 HH22 ARG 34 2HH2 ARG 34 6.763 4.236 -5.908 261 H ASP 35 H ASP 35 7.359 1.873 2.534 262 HA ASP 35 HA ASP 35 4.545 2.688 2.610 263 HB2 ASP 35 2HB ASP 35 5.450 0.166 3.900 264 HB3 ASP 35 3HB ASP 35 3.987 0.496 2.976 265 H ALA 36 H ALA 36 6.082 4.388 4.035 266 HA ALA 36 HA ALA 36 6.555 3.711 6.722 267 HB1 ALA 36 1HB ALA 36 6.490 6.153 5.119 268 HB2 ALA 36 2HB ALA 36 6.039 6.395 6.808 269 HB3 ALA 36 3HB ALA 36 7.594 5.667 6.406 270 HA PRO 37 HA PRO 37 2.264 5.673 7.742 271 HB2 PRO 37 2HB PRO 37 0.630 6.274 5.659 272 HB3 PRO 37 3HB PRO 37 1.808 7.417 6.317 273 HG2 PRO 37 2HG PRO 37 2.016 5.666 3.898 274 HG3 PRO 37 3HG PRO 37 2.495 7.362 4.096 275 HD2 PRO 37 2HD PRO 37 4.276 5.325 4.189 276 HD3 PRO 37 3HD PRO 37 4.476 6.811 5.138 277 H LYS 38 H LYS 38 2.416 3.585 4.904 278 HA LYS 38 HA LYS 38 -0.060 2.277 5.299 279 HB2 LYS 38 2HB LYS 38 2.429 1.261 3.914 280 HB3 LYS 38 3HB LYS 38 0.815 0.580 3.754 281 HG2 LYS 38 2HG LYS 38 1.262 3.452 3.093 282 HG3 LYS 38 3HG LYS 38 1.752 2.203 1.945 283 HD2 LYS 38 2HD LYS 38 -0.377 2.461 1.216 284 HD3 LYS 38 3HD LYS 38 -0.717 1.329 2.527 285 HE2 LYS 38 2HE LYS 38 -2.255 2.970 2.974 286 HE3 LYS 38 3HE LYS 38 -0.896 3.523 3.953 287 HZ1 LYS 38 3HZ LYS 38 -1.825 5.345 2.700 288 HZ2 LYS 38 1HZ LYS 38 -1.617 4.508 1.245 289 HZ3 LYS 38 2HZ LYS 38 -0.267 5.009 2.132 290 H VAL 39 H VAL 39 3.265 1.213 6.034 291 HA VAL 39 HA VAL 39 2.501 -1.131 7.405 292 HB VAL 39 HB VAL 39 5.039 0.487 7.672 293 HG11 VAL 39 1HG1 VAL 39 5.652 -0.906 9.285 294 HG12 VAL 39 2HG1 VAL 39 4.094 -1.730 9.183 295 HG13 VAL 39 3HG1 VAL 39 5.445 -2.268 8.185 296 HG21 VAL 39 3HG2 VAL 39 5.044 -2.064 6.213 297 HG22 VAL 39 1HG2 VAL 39 4.135 -0.763 5.444 298 HG23 VAL 39 2HG2 VAL 39 5.840 -0.537 5.833 299 H ALA 40 H ALA 40 3.124 2.167 8.493 300 HA ALA 40 HA ALA 40 3.086 1.680 11.260 301 HB1 ALA 40 1HB ALA 40 2.718 4.071 9.534 302 HB2 ALA 40 2HB ALA 40 2.239 4.182 11.229 303 HB3 ALA 40 3HB ALA 40 3.900 3.763 10.808 304 H GLU 41 H GLU 41 0.485 2.570 9.012 305 HA GLU 41 HA GLU 41 -1.552 2.719 10.967 306 HB2 GLU 41 2HB GLU 41 -1.904 3.786 8.854 307 HB3 GLU 41 3HB GLU 41 -1.644 2.281 7.984 308 HG2 GLU 41 2HG GLU 41 -3.986 2.799 8.007 309 HG3 GLU 41 3HG GLU 41 -3.694 1.369 8.995 310 H MET 42 H MET 42 -0.545 0.121 8.767 311 HA MET 42 HA MET 42 -2.514 -1.738 9.535 312 HB2 MET 42 2HB MET 42 -0.662 -1.692 7.588 313 HB3 MET 42 3HB MET 42 0.149 -2.761 8.724 314 HG2 MET 42 2HG MET 42 -2.376 -3.793 8.676 315 HG3 MET 42 3HG MET 42 -2.167 -3.238 7.017 316 HE1 MET 42 3HE MET 42 -1.391 -5.893 9.637 317 HE2 MET 42 1HE MET 42 0.156 -6.579 9.137 318 HE3 MET 42 2HE MET 42 0.090 -4.949 9.807 319 H TRP 43 H TRP 43 0.874 -1.392 10.578 320 HA TRP 43 HA TRP 43 0.924 -3.481 12.414 321 HB2 TRP 43 2HB TRP 43 2.925 -2.238 11.654 322 HB3 TRP 43 3HB TRP 43 2.403 -0.848 12.601 323 HD1 TRP 43 HD1 TRP 43 3.754 -4.421 13.048 324 HE1 TRP 43 HE1 TRP 43 4.767 -4.615 15.406 325 HE3 TRP 43 HE3 TRP 43 2.355 0.130 14.909 326 HZ2 TRP 43 HZ2 TRP 43 4.948 -3.047 17.746 327 HZ3 TRP 43 HZ3 TRP 43 2.987 0.706 17.217 328 HH2 TRP 43 HH2 TRP 43 4.257 -0.851 18.604 329 H LYS 44 H LYS 44 0.170 -0.047 12.968 330 HA LYS 44 HA LYS 44 -0.331 -0.232 15.714 331 HB2 LYS 44 2HB LYS 44 -0.045 1.902 14.530 332 HB3 LYS 44 3HB LYS 44 -1.570 1.647 13.693 333 HG2 LYS 44 2HG LYS 44 -1.734 1.525 16.620 334 HG3 LYS 44 3HG LYS 44 -1.280 3.097 15.957 335 HD2 LYS 44 2HD LYS 44 -3.664 1.507 15.021 336 HD3 LYS 44 3HD LYS 44 -3.745 2.755 16.267 337 HE2 LYS 44 2HE LYS 44 -2.449 3.466 13.695 338 HE3 LYS 44 3HE LYS 44 -4.201 3.265 13.693 339 HZ1 LYS 44 3HZ LYS 44 -3.450 5.566 14.135 340 HZ2 LYS 44 1HZ LYS 44 -2.738 5.033 15.574 341 HZ3 LYS 44 2HZ LYS 44 -4.414 4.928 15.370 342 H GLU 45 H GLU 45 -2.740 -0.085 13.081 343 HA GLU 45 HA GLU 45 -4.993 -0.610 14.591 344 HB2 GLU 45 2HB GLU 45 -4.265 -0.972 11.733 345 HB3 GLU 45 3HB GLU 45 -5.708 -1.799 12.301 346 HG2 GLU 45 2HG GLU 45 -5.362 1.089 12.926 347 HG3 GLU 45 3HG GLU 45 -5.838 0.612 11.297 348 H TYR 46 H TYR 46 -2.538 -2.805 13.450 349 HA TYR 46 HA TYR 46 -4.028 -5.197 13.950 350 HB2 TYR 46 2HB TYR 46 -2.299 -5.383 12.343 351 HB3 TYR 46 3HB TYR 46 -1.116 -4.636 13.411 352 HD1 TYR 46 HD1 TYR 46 -2.919 -7.721 12.605 353 HD2 TYR 46 HD2 TYR 46 -0.039 -5.920 15.168 354 HE1 TYR 46 HE1 TYR 46 -2.204 -9.951 13.358 355 HE2 TYR 46 HE2 TYR 46 0.684 -8.145 15.927 356 HH TYR 46 HH TYR 46 0.631 -10.523 14.975 357 H MET 47 H MET 47 -1.673 -3.278 15.737 358 HA MET 47 HA MET 47 -1.385 -5.125 17.887 359 HB2 MET 47 2HB MET 47 -0.779 -2.171 17.695 360 HB3 MET 47 3HB MET 47 -0.352 -3.177 19.073 361 HG2 MET 47 2HG MET 47 0.554 -3.920 16.326 362 HG3 MET 47 3HG MET 47 1.410 -2.687 17.249 363 HE1 MET 47 3HE MET 47 2.228 -3.940 20.336 364 HE2 MET 47 1HE MET 47 3.666 -4.227 19.356 365 HE3 MET 47 2HE MET 47 2.638 -2.833 19.025 366 H LEU 48 H LEU 48 -3.633 -2.585 17.130 367 HA LEU 48 HA LEU 48 -4.762 -2.634 19.824 368 HB2 LEU 48 2HB LEU 48 -5.187 -0.905 17.412 369 HB3 LEU 48 3HB LEU 48 -6.329 -0.891 18.755 370 HG LEU 48 HG LEU 48 -4.324 -0.312 20.229 371 HD11 LEU 48 1HD1 LEU 48 -2.565 -0.910 18.672 372 HD12 LEU 48 2HD1 LEU 48 -2.469 0.804 19.074 373 HD13 LEU 48 3HD1 LEU 48 -3.141 0.298 17.523 374 HD21 LEU 48 3HD2 LEU 48 -5.930 1.360 19.859 375 HD22 LEU 48 1HD2 LEU 48 -5.483 1.535 18.162 376 HD23 LEU 48 2HD2 LEU 48 -4.391 2.105 19.424 377 H ARG 49 H ARG 49 -4.950 -4.972 18.115 378 HA ARG 49 HA ARG 49 -7.864 -5.077 17.691 379 HB2 ARG 49 2HB ARG 49 -5.573 -6.226 16.203 380 HB3 ARG 49 3HB ARG 49 -6.988 -7.256 16.368 381 HG2 ARG 49 2HG ARG 49 -8.367 -5.712 15.235 382 HG3 ARG 49 3HG ARG 49 -7.148 -4.440 15.338 383 HD2 ARG 49 2HD ARG 49 -5.986 -5.231 13.571 384 HD3 ARG 49 3HD ARG 49 -6.295 -6.915 13.991 385 HE ARG 49 HE ARG 49 -8.695 -5.813 13.109 386 HH11 ARG 49 1HH1 ARG 49 -5.535 -6.552 11.849 387 HH12 ARG 49 2HH1 ARG 49 -6.098 -6.814 10.231 388 HH21 ARG 49 1HH2 ARG 49 -9.449 -6.155 10.984 389 HH22 ARG 49 2HH2 ARG 49 -8.324 -6.587 9.740 390 HA PRO 50 HA PRO 50 -8.215 -8.035 20.921 391 HB2 PRO 50 2HB PRO 50 -10.389 -9.420 20.067 392 HB3 PRO 50 3HB PRO 50 -10.490 -7.780 20.720 393 HG2 PRO 50 2HG PRO 50 -10.471 -8.684 17.867 394 HG3 PRO 50 3HG PRO 50 -11.481 -7.451 18.643 395 HD2 PRO 50 2HD PRO 50 -9.304 -6.828 17.159 396 HD3 PRO 50 3HD PRO 50 -9.822 -5.853 18.549 397 H SER 51 H SER 51 -8.582 -9.387 17.644 398 HA SER 51 HA SER 51 -8.126 -12.047 18.167 399 HB2 SER 51 2HB SER 51 -7.276 -12.211 15.842 400 HB3 SER 51 3HB SER 51 -8.749 -11.246 15.949 401 HG SER 51 HG SER 51 -6.580 -10.506 14.807 402 H VAL 52 H VAL 52 -5.758 -9.457 17.795 403 HA VAL 52 HA VAL 52 -3.460 -11.118 17.861 404 HB VAL 52 HB VAL 52 -3.732 -8.196 18.579 405 HG11 VAL 52 1HG1 VAL 52 -1.321 -8.071 18.217 406 HG12 VAL 52 2HG1 VAL 52 -1.709 -9.191 19.525 407 HG13 VAL 52 3HG1 VAL 52 -1.267 -9.810 17.933 408 HG21 VAL 52 3HG2 VAL 52 -4.305 -8.212 16.363 409 HG22 VAL 52 1HG2 VAL 52 -2.550 -8.120 16.222 410 HG23 VAL 52 2HG2 VAL 52 -3.371 -9.667 16.017 411 H ASN 53 H ASN 53 -2.649 -12.213 19.513 412 HA ASN 53 HA ASN 53 -3.651 -11.817 22.184 413 HB2 ASN 53 2HB ASN 53 -1.510 -13.693 21.154 414 HB3 ASN 53 3HB ASN 53 -2.228 -13.744 22.762 415 HD21 ASN 53 1HD2 ASN 53 -2.367 -14.956 19.678 416 HD22 ASN 53 2HD2 ASN 53 -3.949 -15.651 19.728 417 H THR 54 H THR 54 -1.662 -12.217 23.893 418 HA THR 54 HA THR 54 -0.356 -9.697 24.004 419 HB THR 54 HB THR 54 0.878 -11.613 25.765 420 HG1 THR 54 HG1 THR 54 -0.775 -12.847 26.198 421 HG21 THR 54 3HG2 THR 54 -0.974 -9.264 26.147 422 HG22 THR 54 1HG2 THR 54 0.781 -9.291 26.317 423 HG23 THR 54 2HG2 THR 54 -0.231 -10.146 27.481 424 H ARG 55 H ARG 55 0.855 -13.009 23.514 425 HA ARG 55 HA ARG 55 3.554 -12.472 23.294 426 HB2 ARG 55 2HB ARG 55 3.631 -14.500 21.798 427 HB3 ARG 55 3HB ARG 55 2.831 -14.740 23.345 428 HG2 ARG 55 2HG ARG 55 0.648 -14.375 22.164 429 HG3 ARG 55 3HG ARG 55 1.549 -14.416 20.647 430 HD2 ARG 55 2HD ARG 55 1.328 -16.614 22.698 431 HD3 ARG 55 3HD ARG 55 0.637 -16.599 21.075 432 HE ARG 55 HE ARG 55 3.320 -16.289 20.680 433 HH11 ARG 55 1HH1 ARG 55 1.323 -18.631 22.308 434 HH12 ARG 55 2HH1 ARG 55 2.411 -19.949 22.024 435 HH21 ARG 55 1HH2 ARG 55 4.761 -18.017 20.301 436 HH22 ARG 55 2HH2 ARG 55 4.367 -19.598 20.883 437 H ARG 56 H ARG 56 1.116 -12.462 20.703 438 HA ARG 56 HA ARG 56 2.773 -11.860 18.564 439 HB2 ARG 56 2HB ARG 56 -0.080 -10.986 19.049 440 HB3 ARG 56 3HB ARG 56 0.747 -10.885 17.501 441 HG2 ARG 56 2HG ARG 56 0.212 -13.428 19.022 442 HG3 ARG 56 3HG ARG 56 -0.726 -12.836 17.650 443 HD2 ARG 56 2HD ARG 56 1.269 -12.958 16.238 444 HD3 ARG 56 3HD ARG 56 2.205 -13.547 17.611 445 HE ARG 56 HE ARG 56 -0.108 -15.145 16.986 446 HH11 ARG 56 1HH1 ARG 56 3.269 -14.593 16.345 447 HH12 ARG 56 2HH1 ARG 56 3.562 -16.207 15.790 448 HH21 ARG 56 1HH2 ARG 56 0.265 -17.274 16.257 449 HH22 ARG 56 2HH2 ARG 56 1.852 -17.731 15.739 450 H LYS 57 H LYS 57 1.128 -9.646 20.798 451 HA LYS 57 HA LYS 57 1.972 -7.254 19.581 452 HB2 LYS 57 2HB LYS 57 1.117 -7.913 22.396 453 HB3 LYS 57 3HB LYS 57 1.542 -6.278 21.903 454 HG2 LYS 57 2HG LYS 57 -0.286 -6.107 20.466 455 HG3 LYS 57 3HG LYS 57 -0.537 -7.854 20.431 456 HD2 LYS 57 2HD LYS 57 -1.093 -7.709 22.885 457 HD3 LYS 57 3HD LYS 57 -1.087 -5.953 22.703 458 HE2 LYS 57 2HE LYS 57 -2.864 -6.083 21.066 459 HE3 LYS 57 3HE LYS 57 -2.820 -7.845 21.116 460 HZ1 LYS 57 3HZ LYS 57 -3.580 -7.810 23.371 461 HZ2 LYS 57 1HZ LYS 57 -4.634 -6.865 22.444 462 HZ3 LYS 57 2HZ LYS 57 -3.486 -6.122 23.441 463 H LEU 58 H LEU 58 3.319 -9.042 22.349 464 HA LEU 58 HA LEU 58 5.427 -7.384 22.983 465 HB2 LEU 58 2HB LEU 58 4.756 -9.387 24.255 466 HB3 LEU 58 3HB LEU 58 5.449 -10.400 22.990 467 HG LEU 58 HG LEU 58 6.803 -10.039 25.136 468 HD11 LEU 58 1HD1 LEU 58 7.535 -10.376 22.429 469 HD12 LEU 58 2HD1 LEU 58 8.408 -10.892 23.871 470 HD13 LEU 58 3HD1 LEU 58 8.727 -9.307 23.168 471 HD21 LEU 58 3HD2 LEU 58 7.966 -8.055 25.452 472 HD22 LEU 58 1HD2 LEU 58 6.363 -7.499 24.969 473 HD23 LEU 58 2HD2 LEU 58 7.683 -7.507 23.798 474 H LEU 59 H LEU 59 5.270 -9.880 20.482 475 HA LEU 59 HA LEU 59 7.982 -9.676 19.686 476 HB2 LEU 59 2HB LEU 59 5.513 -10.899 18.597 477 HB3 LEU 59 3HB LEU 59 6.833 -10.608 17.465 478 HG LEU 59 HG LEU 59 6.965 -12.305 19.958 479 HD11 LEU 59 1HD1 LEU 59 6.545 -12.884 17.072 480 HD12 LEU 59 2HD1 LEU 59 5.847 -13.655 18.495 481 HD13 LEU 59 3HD1 LEU 59 7.510 -14.010 18.027 482 HD21 LEU 59 3HD2 LEU 59 9.175 -12.175 19.839 483 HD22 LEU 59 1HD2 LEU 59 9.026 -10.980 18.551 484 HD23 LEU 59 2HD2 LEU 59 9.138 -12.695 18.153 485 H GLY 60 H GLY 60 4.986 -8.305 18.335 486 HA2 GLY 60 2HA GLY 60 6.059 -6.955 16.167 487 HA3 GLY 60 3HA GLY 60 4.637 -6.430 17.056 488 H LEU 61 H LEU 61 5.898 -5.923 19.544 489 HA LEU 61 HA LEU 61 6.739 -3.274 19.163 490 HB2 LEU 61 2HB LEU 61 5.854 -4.623 21.271 491 HB3 LEU 61 3HB LEU 61 7.581 -4.736 21.607 492 HG LEU 61 HG LEU 61 6.534 -2.881 22.809 493 HD11 LEU 61 1HD1 LEU 61 8.910 -2.855 21.619 494 HD12 LEU 61 2HD1 LEU 61 8.295 -1.476 22.530 495 HD13 LEU 61 3HD1 LEU 61 8.176 -1.494 20.770 496 HD21 LEU 61 3HD2 LEU 61 6.168 -1.222 20.420 497 HD22 LEU 61 1HD2 LEU 61 5.184 -1.352 21.878 498 HD23 LEU 61 2HD2 LEU 61 5.005 -2.539 20.585 499 H TYR 62 H TYR 62 8.584 -6.233 19.799 500 HA TYR 62 HA TYR 62 11.116 -4.990 19.951 501 HB2 TYR 62 2HB TYR 62 10.109 -7.766 19.671 502 HB3 TYR 62 3HB TYR 62 11.769 -7.477 19.162 503 HD1 TYR 62 HD1 TYR 62 12.909 -5.684 21.022 504 HD2 TYR 62 HD2 TYR 62 10.033 -8.732 21.758 505 HE1 TYR 62 HE1 TYR 62 13.653 -5.812 23.363 506 HE2 TYR 62 HE2 TYR 62 10.768 -8.868 24.101 507 HH TYR 62 HH TYR 62 13.463 -6.896 25.299 508 H LEU 63 H LEU 63 9.232 -6.273 17.277 509 HA LEU 63 HA LEU 63 11.284 -6.184 15.329 510 HB2 LEU 63 2HB LEU 63 9.273 -7.503 15.016 511 HB3 LEU 63 3HB LEU 63 8.287 -6.042 15.031 512 HG LEU 63 HG LEU 63 9.357 -5.326 12.931 513 HD11 LEU 63 1HD1 LEU 63 11.495 -6.412 13.137 514 HD12 LEU 63 2HD1 LEU 63 10.696 -6.978 11.670 515 HD13 LEU 63 3HD1 LEU 63 10.732 -8.002 13.105 516 HD21 LEU 63 3HD2 LEU 63 8.036 -8.030 12.979 517 HD22 LEU 63 1HD2 LEU 63 8.358 -7.133 11.495 518 HD23 LEU 63 2HD2 LEU 63 7.282 -6.457 12.718 519 H MET 64 H MET 64 8.551 -3.967 15.922 520 HA MET 64 HA MET 64 9.340 -2.014 14.072 521 HB2 MET 64 2HB MET 64 7.655 -0.675 14.959 522 HB3 MET 64 3HB MET 64 7.101 -2.300 15.342 523 HG2 MET 64 2HG MET 64 6.767 -1.380 17.367 524 HG3 MET 64 3HG MET 64 8.469 -1.789 17.572 525 HE1 MET 64 3HE MET 64 7.534 -0.075 19.525 526 HE2 MET 64 1HE MET 64 7.822 1.661 19.396 527 HE3 MET 64 2HE MET 64 6.321 0.968 18.781 528 H ASN 65 H ASN 65 10.333 -2.637 17.358 529 HA ASN 65 HA ASN 65 11.555 -0.123 17.851 530 HB2 ASN 65 2HB ASN 65 10.902 -1.781 19.615 531 HB3 ASN 65 3HB ASN 65 12.257 -2.783 19.105 532 HD21 ASN 65 1HD2 ASN 65 13.124 -2.599 21.203 533 HD22 ASN 65 2HD2 ASN 65 13.950 -1.166 21.704 534 H HIS 66 H HIS 66 12.862 -3.268 16.825 535 HA HIS 66 HA HIS 66 15.538 -2.398 16.582 536 HB2 HIS 66 2HB HIS 66 14.651 -4.800 16.698 537 HB3 HIS 66 3HB HIS 66 14.319 -4.638 14.976 538 HD1 HIS 66 HD1 HIS 66 17.222 -4.575 17.400 539 HD2 HIS 66 HD2 HIS 66 16.476 -5.042 13.339 540 HE1 HIS 66 HE1 HIS 66 19.421 -5.253 16.385 541 H VAL 67 H VAL 67 12.799 -2.339 14.404 542 HA VAL 67 HA VAL 67 14.243 -1.777 12.028 543 HB VAL 67 HB VAL 67 11.369 -1.178 12.736 544 HG11 VAL 67 1HG1 VAL 67 12.910 -0.886 10.184 545 HG12 VAL 67 2HG1 VAL 67 11.173 -1.197 10.165 546 HG13 VAL 67 3HG1 VAL 67 11.802 0.251 10.952 547 HG21 VAL 67 3HG2 VAL 67 11.778 -3.245 10.782 548 HG22 VAL 67 1HG2 VAL 67 12.673 -3.610 12.258 549 HG23 VAL 67 2HG2 VAL 67 10.935 -3.320 12.329 550 H VAL 68 H VAL 68 12.334 0.350 14.164 551 HA VAL 68 HA VAL 68 13.023 2.755 12.889 552 HB VAL 68 HB VAL 68 12.225 3.890 14.882 553 HG11 VAL 68 1HG1 VAL 68 10.445 3.208 13.544 554 HG12 VAL 68 2HG1 VAL 68 10.673 1.504 13.942 555 HG13 VAL 68 3HG1 VAL 68 10.007 2.611 15.144 556 HG21 VAL 68 3HG2 VAL 68 11.549 2.587 16.877 557 HG22 VAL 68 1HG2 VAL 68 12.307 1.162 16.166 558 HG23 VAL 68 2HG2 VAL 68 13.290 2.563 16.594 559 H GLN 69 H GLN 69 14.612 0.899 15.405 560 HA GLN 69 HA GLN 69 16.437 2.871 16.255 561 HB2 GLN 69 2HB GLN 69 16.190 -0.068 16.509 562 HB3 GLN 69 3HB GLN 69 17.806 0.593 16.721 563 HG2 GLN 69 2HG GLN 69 17.031 2.028 18.497 564 HG3 GLN 69 3HG GLN 69 15.371 1.493 18.242 565 HE21 GLN 69 1HE2 GLN 69 15.039 0.619 20.228 566 HE22 GLN 69 2HE2 GLN 69 15.879 -0.769 20.820 567 H GLN 70 H GLN 70 16.742 0.273 13.848 568 HA GLN 70 HA GLN 70 19.386 1.051 13.079 569 HB2 GLN 70 2HB GLN 70 17.397 -0.968 12.194 570 HB3 GLN 70 3HB GLN 70 18.614 -0.483 11.021 571 HG2 GLN 70 2HG GLN 70 19.300 -1.420 13.790 572 HG3 GLN 70 3HG GLN 70 19.149 -2.510 12.412 573 HE21 GLN 70 1HE2 GLN 70 20.371 -1.474 10.403 574 HE22 GLN 70 2HE2 GLN 70 22.013 -1.055 10.740 575 H ALA 71 H ALA 71 16.153 1.816 12.026 576 HA ALA 71 HA ALA 71 16.548 2.767 9.474 577 HB1 ALA 71 1HB ALA 71 14.818 4.551 10.944 578 HB2 ALA 71 2HB ALA 71 14.424 3.393 9.672 579 HB3 ALA 71 3HB ALA 71 14.498 2.865 11.353 580 H LYS 72 H LYS 72 17.098 4.461 12.540 581 HA LYS 72 HA LYS 72 17.715 6.982 11.560 582 HB2 LYS 72 2HB LYS 72 18.396 5.455 14.015 583 HB3 LYS 72 3HB LYS 72 19.366 6.881 13.671 584 HG2 LYS 72 2HG LYS 72 17.116 8.093 13.404 585 HG3 LYS 72 3HG LYS 72 16.433 6.693 14.235 586 HD2 LYS 72 2HD LYS 72 16.875 8.248 15.938 587 HD3 LYS 72 3HD LYS 72 18.212 7.098 16.020 588 HE2 LYS 72 2HE LYS 72 19.097 9.320 16.215 589 HE3 LYS 72 3HE LYS 72 19.567 8.663 14.648 590 HZ1 LYS 72 3HZ LYS 72 18.561 11.066 14.894 591 HZ2 LYS 72 1HZ LYS 72 17.099 10.223 14.780 592 HZ3 LYS 72 2HZ LYS 72 18.239 10.109 13.537 593 H GLY 73 H GLY 73 19.799 4.145 11.940 594 HA2 GLY 73 2HA GLY 73 22.126 5.567 10.968 595 HA3 GLY 73 3HA GLY 73 22.041 3.862 11.385 596 H GLN 74 H GLN 74 19.473 4.483 9.415 597 HA GLN 74 HA GLN 74 21.001 3.712 7.017 598 HB2 GLN 74 2HB GLN 74 18.952 2.316 8.307 599 HB3 GLN 74 3HB GLN 74 18.188 3.031 6.894 600 HG2 GLN 74 2HG GLN 74 19.080 0.745 6.531 601 HG3 GLN 74 3HG GLN 74 19.722 1.959 5.425 602 HE21 GLN 74 1HE2 GLN 74 20.511 0.838 8.703 603 HE22 GLN 74 2HE2 GLN 74 22.195 0.602 8.399 604 H LYS 75 H LYS 75 19.992 6.378 8.147 605 HA LYS 75 HA LYS 75 19.179 8.342 7.339 606 HB2 LYS 75 2HB LYS 75 19.881 6.867 4.824 607 HB3 LYS 75 3HB LYS 75 19.090 8.435 4.732 608 HG2 LYS 75 2HG LYS 75 21.295 9.038 4.609 609 HG3 LYS 75 3HG LYS 75 21.005 9.173 6.344 610 HD2 LYS 75 2HD LYS 75 23.010 7.997 6.228 611 HD3 LYS 75 3HD LYS 75 21.807 6.722 6.443 612 HE2 LYS 75 2HE LYS 75 23.181 5.924 4.732 613 HE3 LYS 75 3HE LYS 75 21.783 6.582 3.884 614 HZ1 LYS 75 3HZ LYS 75 23.296 7.681 2.692 615 HZ2 LYS 75 1HZ LYS 75 24.534 7.424 3.817 616 HZ3 LYS 75 2HZ LYS 75 23.448 8.703 4.031 617 H ILE 76 H ILE 76 17.230 6.747 8.296 618 HA ILE 76 HA ILE 76 15.027 7.145 6.379 619 HB ILE 76 HB ILE 76 15.000 5.033 8.524 620 HG12 ILE 76 2HG1 ILE 76 16.873 4.530 7.042 621 HG13 ILE 76 3HG1 ILE 76 15.556 3.397 6.759 622 HG21 ILE 76 1HG2 ILE 76 13.464 4.511 6.146 623 HG22 ILE 76 2HG2 ILE 76 12.932 4.626 7.823 624 HG23 ILE 76 3HG2 ILE 76 13.042 6.080 6.831 625 HD11 ILE 76 3HD1 ILE 76 14.973 5.275 4.924 626 HD12 ILE 76 1HD1 ILE 76 16.729 5.422 4.984 627 HD13 ILE 76 2HD1 ILE 76 15.985 3.867 4.609 628 H ILE 77 H ILE 77 13.628 8.631 7.022 629 HA ILE 77 HA ILE 77 13.279 9.080 9.915 630 HB ILE 77 HB ILE 77 12.897 11.168 7.772 631 HG12 ILE 77 2HG1 ILE 77 15.254 10.477 7.847 632 HG13 ILE 77 3HG1 ILE 77 15.049 12.105 8.483 633 HG21 ILE 77 1HG2 ILE 77 13.138 12.673 9.810 634 HG22 ILE 77 2HG2 ILE 77 11.644 11.748 9.672 635 HG23 ILE 77 3HG2 ILE 77 12.913 11.214 10.775 636 HD11 ILE 77 3HD1 ILE 77 15.114 11.168 10.769 637 HD12 ILE 77 1HD1 ILE 77 15.453 9.584 10.071 638 HD13 ILE 77 2HD1 ILE 77 16.600 10.906 9.856 639 H GLN 78 H GLN 78 11.806 8.109 7.057 640 HA GLN 78 HA GLN 78 9.174 9.107 7.509 641 HB2 GLN 78 2HB GLN 78 9.917 6.673 5.891 642 HB3 GLN 78 3HB GLN 78 8.496 7.691 5.707 643 HG2 GLN 78 2HG GLN 78 11.345 8.453 5.112 644 HG3 GLN 78 3HG GLN 78 10.062 8.146 3.942 645 HE21 GLN 78 1HE2 GLN 78 11.760 10.509 5.400 646 HE22 GLN 78 2HE2 GLN 78 10.627 11.809 5.292 647 H PHE 79 H PHE 79 10.813 6.047 8.202 648 HA PHE 79 HA PHE 79 8.518 4.753 9.269 649 HB2 PHE 79 2HB PHE 79 11.387 4.171 9.003 650 HB3 PHE 79 3HB PHE 79 10.637 3.458 10.427 651 HD1 PHE 79 HD1 PHE 79 8.162 2.460 9.793 652 HD2 PHE 79 HD2 PHE 79 11.525 2.776 7.203 653 HE1 PHE 79 HE1 PHE 79 7.261 0.638 8.406 654 HE2 PHE 79 HE2 PHE 79 10.628 0.956 5.811 655 HZ PHE 79 HZ PHE 79 8.494 -0.115 6.411 656 H GLN 80 H GLN 80 11.075 6.729 10.637 657 HA GLN 80 HA GLN 80 10.624 6.193 13.352 658 HB2 GLN 80 2HB GLN 80 11.524 8.843 12.226 659 HB3 GLN 80 3HB GLN 80 11.883 8.174 13.812 660 HG2 GLN 80 2HG GLN 80 13.027 6.274 12.482 661 HG3 GLN 80 3HG GLN 80 13.009 7.428 11.150 662 HE21 GLN 80 1HE2 GLN 80 13.588 7.724 14.638 663 HE22 GLN 80 2HE2 GLN 80 15.123 8.502 14.491 664 H ASP 81 H ASP 81 9.289 8.722 11.245 665 HA ASP 81 HA ASP 81 7.636 9.835 13.294 666 HB2 ASP 81 2HB ASP 81 8.441 11.144 11.347 667 HB3 ASP 81 3HB ASP 81 7.429 10.160 10.293 668 H SER 82 H SER 82 7.212 7.437 10.771 669 HA SER 82 HA SER 82 4.388 7.274 10.908 670 HB2 SER 82 2HB SER 82 4.576 5.359 9.531 671 HB3 SER 82 3HB SER 82 5.937 6.380 9.068 672 HG SER 82 HG SER 82 6.422 4.099 9.443 673 H PHE 83 H PHE 83 6.974 5.377 12.434 674 HA PHE 83 HA PHE 83 5.121 3.755 13.916 675 HB2 PHE 83 2HB PHE 83 8.095 3.994 13.751 676 HB3 PHE 83 3HB PHE 83 7.392 3.192 15.151 677 HD1 PHE 83 HD1 PHE 83 5.213 1.661 14.163 678 HD2 PHE 83 HD2 PHE 83 8.965 2.441 12.310 679 HE1 PHE 83 HE1 PHE 83 5.000 -0.418 12.865 680 HE2 PHE 83 HE2 PHE 83 8.757 0.363 11.008 681 HZ PHE 83 HZ PHE 83 6.772 -1.069 11.284 682 H GLY 84 H GLY 84 6.690 6.783 14.375 683 HA2 GLY 84 2HA GLY 84 6.545 6.791 17.247 684 HA3 GLY 84 3HA GLY 84 6.913 8.166 16.216 685 H LYS 85 H LYS 85 4.439 7.753 14.637 686 HA LYS 85 HA LYS 85 2.708 9.338 16.298 687 HB2 LYS 85 2HB LYS 85 1.279 9.481 14.331 688 HB3 LYS 85 3HB LYS 85 2.953 9.797 13.893 689 HG2 LYS 85 2HG LYS 85 3.147 7.870 12.682 690 HG3 LYS 85 3HG LYS 85 1.925 7.020 13.631 691 HD2 LYS 85 2HD LYS 85 1.203 9.337 11.865 692 HD3 LYS 85 3HD LYS 85 1.337 7.699 11.222 693 HE2 LYS 85 2HE LYS 85 -0.413 6.912 12.588 694 HE3 LYS 85 3HE LYS 85 -0.366 8.346 13.612 695 HZ1 LYS 85 3HZ LYS 85 -1.631 7.958 11.019 696 HZ2 LYS 85 1HZ LYS 85 -0.914 9.467 11.284 697 HZ3 LYS 85 2HZ LYS 85 -2.118 8.909 12.331 698 H VAL 86 H VAL 86 3.157 6.037 15.827 699 HA VAL 86 HA VAL 86 0.454 5.462 16.857 700 HB VAL 86 HB VAL 86 0.721 3.181 15.859 701 HG11 VAL 86 1HG1 VAL 86 0.843 4.589 13.404 702 HG12 VAL 86 2HG1 VAL 86 -0.585 4.036 14.280 703 HG13 VAL 86 3HG1 VAL 86 0.072 5.643 14.589 704 HG21 VAL 86 3HG2 VAL 86 2.387 3.023 13.974 705 HG22 VAL 86 1HG2 VAL 86 3.144 4.476 14.628 706 HG23 VAL 86 2HG2 VAL 86 3.075 3.005 15.598 707 H ALA 87 H ALA 87 3.715 5.483 17.556 708 HA ALA 87 HA ALA 87 3.986 3.124 19.102 709 HB1 ALA 87 1HB ALA 87 6.067 3.886 18.740 710 HB2 ALA 87 2HB ALA 87 5.545 5.568 18.638 711 HB3 ALA 87 3HB ALA 87 5.792 4.815 20.214 712 H ALA 88 H ALA 88 3.473 6.514 20.092 713 HA ALA 88 HA ALA 88 3.180 6.054 22.822 714 HB1 ALA 88 1HB ALA 88 2.624 8.247 22.984 715 HB2 ALA 88 2HB ALA 88 3.257 8.266 21.338 716 HB3 ALA 88 3HB ALA 88 1.517 8.184 21.613 717 H GLU 89 H GLU 89 0.914 5.645 20.198 718 HA GLU 89 HA GLU 89 -1.385 5.376 21.909 719 HB2 GLU 89 2HB GLU 89 -1.294 6.123 19.420 720 HB3 GLU 89 3HB GLU 89 -1.266 4.400 19.073 721 HG2 GLU 89 2HG GLU 89 -3.520 5.269 18.938 722 HG3 GLU 89 3HG GLU 89 -3.375 4.119 20.266 723 H VAL 90 H VAL 90 0.296 3.098 19.734 724 HA VAL 90 HA VAL 90 -0.975 0.781 20.602 725 HB VAL 90 HB VAL 90 1.846 1.073 19.559 726 HG11 VAL 90 1HG1 VAL 90 1.910 -1.059 20.379 727 HG12 VAL 90 2HG1 VAL 90 0.169 -1.294 20.215 728 HG13 VAL 90 3HG1 VAL 90 1.209 -1.371 18.792 729 HG21 VAL 90 3HG2 VAL 90 -0.394 0.065 17.895 730 HG22 VAL 90 1HG2 VAL 90 -0.339 1.796 18.230 731 HG23 VAL 90 2HG2 VAL 90 1.024 1.007 17.435 732 H LEU 91 H LEU 91 2.193 2.055 21.637 733 HA LEU 91 HA LEU 91 2.833 0.158 23.528 734 HB2 LEU 91 2HB LEU 91 3.364 3.121 23.525 735 HB3 LEU 91 3HB LEU 91 4.094 2.003 24.674 736 HG LEU 91 HG LEU 91 4.445 1.507 21.753 737 HD11 LEU 91 1HD1 LEU 91 4.986 3.987 22.633 738 HD12 LEU 91 2HD1 LEU 91 5.928 3.165 21.390 739 HD13 LEU 91 3HD1 LEU 91 6.492 3.176 23.061 740 HD21 LEU 91 3HD2 LEU 91 6.266 1.133 24.128 741 HD22 LEU 91 1HD2 LEU 91 6.530 0.543 22.487 742 HD23 LEU 91 2HD2 LEU 91 5.211 -0.112 23.458 743 H GLY 92 H GLY 92 0.627 2.882 23.800 744 HA2 GLY 92 2HA GLY 92 0.248 2.586 26.634 745 HA3 GLY 92 3HA GLY 92 -0.697 3.601 25.554 746 H ARG 93 H ARG 93 -1.296 1.332 23.761 747 HA ARG 93 HA ARG 93 -3.630 0.395 25.165 748 HB2 ARG 93 2HB ARG 93 -2.625 0.314 22.373 749 HB3 ARG 93 3HB ARG 93 -3.738 -0.960 22.852 750 HG2 ARG 93 2HG ARG 93 -4.298 1.981 23.162 751 HG3 ARG 93 3HG ARG 93 -4.827 1.000 21.793 752 HD2 ARG 93 2HD ARG 93 -5.998 -0.491 23.425 753 HD3 ARG 93 3HD ARG 93 -5.598 0.672 24.688 754 HE ARG 93 HE ARG 93 -6.897 2.005 22.583 755 HH11 ARG 93 1HH1 ARG 93 -7.548 -0.294 25.115 756 HH12 ARG 93 2HH1 ARG 93 -9.213 0.157 25.275 757 HH21 ARG 93 1HH2 ARG 93 -9.088 2.608 22.784 758 HH22 ARG 93 2HH2 ARG 93 -10.088 1.807 23.947 759 H ILE 94 H ILE 94 -0.550 -0.917 24.135 760 HA ILE 94 HA ILE 94 -1.273 -3.633 24.810 761 HB ILE 94 HB ILE 94 0.995 -4.224 24.220 762 HG12 ILE 94 2HG1 ILE 94 1.486 -1.245 24.008 763 HG13 ILE 94 3HG1 ILE 94 2.148 -2.314 25.240 764 HG21 ILE 94 1HG2 ILE 94 0.400 -4.153 22.084 765 HG22 ILE 94 2HG2 ILE 94 -0.850 -2.982 22.500 766 HG23 ILE 94 3HG2 ILE 94 0.750 -2.427 22.008 767 HD11 ILE 94 3HD1 ILE 94 3.924 -2.462 23.915 768 HD12 ILE 94 1HD1 ILE 94 2.935 -3.515 22.905 769 HD13 ILE 94 2HD1 ILE 94 3.056 -1.796 22.532 770 H ASN 95 H ASN 95 0.387 -0.941 26.293 771 HA ASN 95 HA ASN 95 1.696 -2.345 28.357 772 HB2 ASN 95 2HB ASN 95 2.363 -0.091 27.887 773 HB3 ASN 95 3HB ASN 95 0.733 0.512 28.170 774 HD21 ASN 95 1HD2 ASN 95 -0.078 0.518 30.318 775 HD22 ASN 95 2HD2 ASN 95 1.004 0.571 31.664 776 H GLN 96 H GLN 96 -1.579 -1.182 27.991 777 HA GLN 96 HA GLN 96 -2.257 -1.682 30.759 778 HB2 GLN 96 2HB GLN 96 -4.558 -1.069 30.036 779 HB3 GLN 96 3HB GLN 96 -3.357 0.164 29.675 780 HG2 GLN 96 2HG GLN 96 -3.296 -0.522 27.360 781 HG3 GLN 96 3HG GLN 96 -4.414 -1.842 27.697 782 HE21 GLN 96 1HE2 GLN 96 -6.526 -1.469 27.543 783 HE22 GLN 96 2HE2 GLN 96 -7.253 0.084 27.332 784 H GLU 97 H GLU 97 -2.707 -3.219 27.627 785 HA GLU 97 HA GLU 97 -4.431 -5.279 28.646 786 HB2 GLU 97 2HB GLU 97 -2.963 -4.977 26.024 787 HB3 GLU 97 3HB GLU 97 -4.037 -6.319 26.390 788 HG2 GLU 97 2HG GLU 97 -5.032 -3.524 26.666 789 HG3 GLU 97 3HG GLU 97 -4.908 -4.256 25.067 790 H PHE 98 H PHE 98 -1.064 -4.746 28.552 791 HA PHE 98 HA PHE 98 -0.309 -7.531 28.617 792 HB2 PHE 98 2HB PHE 98 1.135 -4.922 28.737 793 HB3 PHE 98 3HB PHE 98 1.948 -6.354 29.358 794 HD1 PHE 98 HD2 PHE 98 -0.419 -6.628 26.599 795 HD2 PHE 98 HD1 PHE 98 3.679 -6.204 27.665 796 HE1 PHE 98 HE2 PHE 98 0.236 -7.243 24.309 797 HE2 PHE 98 HE1 PHE 98 4.342 -6.818 25.376 798 HZ PHE 98 HZ PHE 98 2.619 -7.340 23.695 799 HA PRO 99 HA PRO 99 -0.722 -8.186 32.947 800 HB2 PRO 99 2HB PRO 99 1.105 -10.167 33.274 801 HB3 PRO 99 3HB PRO 99 -0.456 -10.421 32.485 802 HG2 PRO 99 2HG PRO 99 2.238 -9.981 31.257 803 HG3 PRO 99 3HG PRO 99 0.974 -11.135 30.795 804 HD2 PRO 99 2HD PRO 99 1.370 -8.803 29.477 805 HD3 PRO 99 3HD PRO 99 -0.235 -9.543 29.646 806 H ARG 100 H ARG 100 0.639 -8.355 34.963 807 HA ARG 100 HA ARG 100 2.324 -6.114 35.180 808 HB2 ARG 100 2HB ARG 100 1.549 -8.369 36.965 809 HB3 ARG 100 3HB ARG 100 2.957 -7.416 37.414 810 HG2 ARG 100 2HG ARG 100 1.405 -5.382 37.076 811 HG3 ARG 100 3HG ARG 100 0.101 -6.566 37.187 812 HD2 ARG 100 2HD ARG 100 1.165 -7.336 39.350 813 HD3 ARG 100 3HD ARG 100 2.186 -5.901 39.252 814 HE ARG 100 HE ARG 100 -0.577 -6.008 40.006 815 HH11 ARG 100 1HH1 ARG 100 1.916 -4.012 38.619 816 HH12 ARG 100 2HH1 ARG 100 1.154 -2.522 39.068 817 HH21 ARG 100 1HH2 ARG 100 -1.590 -4.053 40.602 818 HH22 ARG 100 2HH2 ARG 100 -0.839 -2.546 40.197 819 H ASP 101 H ASP 101 2.949 -9.376 34.283 820 HA ASP 101 HA ASP 101 5.737 -9.390 34.934 821 HB2 ASP 101 2HB ASP 101 4.036 -11.164 33.179 822 HB3 ASP 101 3HB ASP 101 5.760 -11.428 33.427 823 H LEU 102 H LEU 102 3.908 -9.055 31.899 824 HA LEU 102 HA LEU 102 6.191 -8.607 30.281 825 HB2 LEU 102 2HB LEU 102 3.277 -7.971 29.870 826 HB3 LEU 102 3HB LEU 102 4.512 -7.722 28.637 827 HG LEU 102 HG LEU 102 3.594 -10.347 29.802 828 HD11 LEU 102 1HD1 LEU 102 3.625 -9.954 26.912 829 HD12 LEU 102 2HD1 LEU 102 2.533 -8.862 27.762 830 HD13 LEU 102 3HD1 LEU 102 2.364 -10.606 27.957 831 HD21 LEU 102 3HD2 LEU 102 5.216 -11.094 27.828 832 HD22 LEU 102 1HD2 LEU 102 5.776 -10.891 29.488 833 HD23 LEU 102 2HD2 LEU 102 6.043 -9.610 28.305 834 H LYS 103 H LYS 103 4.210 -6.549 32.255 835 HA LYS 103 HA LYS 103 4.691 -4.053 31.149 836 HB2 LYS 103 2HB LYS 103 4.331 -4.913 34.017 837 HB3 LYS 103 3HB LYS 103 4.470 -3.223 33.550 838 HG2 LYS 103 2HG LYS 103 2.477 -4.760 32.042 839 HG3 LYS 103 3HG LYS 103 2.137 -4.573 33.764 840 HD2 LYS 103 2HD LYS 103 2.824 -2.288 31.920 841 HD3 LYS 103 3HD LYS 103 1.175 -2.776 32.315 842 HE2 LYS 103 2HE LYS 103 1.277 -1.905 34.397 843 HE3 LYS 103 3HE LYS 103 2.970 -2.346 34.612 844 HZ1 LYS 103 3HZ LYS 103 3.571 -0.293 34.099 845 HZ2 LYS 103 1HZ LYS 103 1.942 0.159 34.027 846 HZ3 LYS 103 2HZ LYS 103 2.741 -0.353 32.626 847 H LYS 104 H LYS 104 6.716 -5.989 33.292 848 HA LYS 104 HA LYS 104 8.687 -3.992 33.731 849 HB2 LYS 104 2HB LYS 104 8.202 -6.242 34.996 850 HB3 LYS 104 3HB LYS 104 9.327 -6.916 33.824 851 HG2 LYS 104 2HG LYS 104 10.822 -6.401 35.430 852 HG3 LYS 104 3HG LYS 104 10.774 -4.824 34.638 853 HD2 LYS 104 2HD LYS 104 9.011 -4.139 36.263 854 HD3 LYS 104 3HD LYS 104 9.252 -5.674 37.101 855 HE2 LYS 104 2HE LYS 104 10.558 -4.119 38.282 856 HE3 LYS 104 3HE LYS 104 11.702 -5.009 37.279 857 HZ1 LYS 104 3HZ LYS 104 10.702 -2.742 35.897 858 HZ2 LYS 104 1HZ LYS 104 12.302 -3.144 36.273 859 HZ3 LYS 104 2HZ LYS 104 11.365 -2.278 37.383 860 H LYS 105 H LYS 105 8.433 -6.698 31.455 861 HA LYS 105 HA LYS 105 10.961 -6.347 30.253 862 HB2 LYS 105 2HB LYS 105 8.424 -7.724 29.455 863 HB3 LYS 105 3HB LYS 105 9.717 -7.544 28.277 864 HG2 LYS 105 2HG LYS 105 11.149 -8.534 30.287 865 HG3 LYS 105 3HG LYS 105 9.580 -9.225 30.707 866 HD2 LYS 105 2HD LYS 105 9.577 -9.829 28.124 867 HD3 LYS 105 3HD LYS 105 11.325 -9.743 28.356 868 HE2 LYS 105 2HE LYS 105 11.077 -11.324 30.267 869 HE3 LYS 105 3HE LYS 105 9.372 -11.489 29.849 870 HZ1 LYS 105 3HZ LYS 105 10.548 -13.286 28.867 871 HZ2 LYS 105 1HZ LYS 105 11.708 -12.257 28.189 872 HZ3 LYS 105 2HZ LYS 105 10.118 -12.235 27.613 873 H LEU 106 H LEU 106 7.831 -4.883 29.681 874 HA LEU 106 HA LEU 106 8.636 -3.609 27.226 875 HB2 LEU 106 2HB LEU 106 6.366 -4.035 27.276 876 HB3 LEU 106 3HB LEU 106 6.210 -3.552 28.964 877 HG LEU 106 HG LEU 106 6.426 -1.202 28.310 878 HD11 LEU 106 1HD1 LEU 106 7.826 -1.701 26.276 879 HD12 LEU 106 2HD1 LEU 106 6.559 -0.495 26.057 880 HD13 LEU 106 3HD1 LEU 106 6.328 -2.135 25.453 881 HD21 LEU 106 3HD2 LEU 106 4.208 -2.233 28.437 882 HD22 LEU 106 1HD2 LEU 106 4.321 -2.681 26.735 883 HD23 LEU 106 2HD2 LEU 106 4.272 -0.979 27.197 884 H SER 107 H SER 107 8.187 -2.643 30.599 885 HA SER 107 HA SER 107 8.516 0.091 30.379 886 HB2 SER 107 2HB SER 107 7.920 -1.026 32.484 887 HB3 SER 107 3HB SER 107 9.541 -1.711 32.588 888 HG SER 107 HG SER 107 9.926 0.057 33.671 889 H ARG 108 H ARG 108 10.958 -2.445 30.406 890 HA ARG 108 HA ARG 108 13.170 -0.616 30.476 891 HB2 ARG 108 2HB ARG 108 14.560 -2.582 30.157 892 HB3 ARG 108 3HB ARG 108 13.334 -2.909 31.374 893 HG2 ARG 108 2HG ARG 108 12.117 -4.300 29.944 894 HG3 ARG 108 3HG ARG 108 12.942 -3.689 28.508 895 HD2 ARG 108 2HD ARG 108 14.180 -5.356 30.696 896 HD3 ARG 108 3HD ARG 108 13.724 -5.926 29.092 897 HE ARG 108 HE ARG 108 15.471 -3.789 28.753 898 HH11 ARG 108 1HH1 ARG 108 15.510 -7.008 30.076 899 HH12 ARG 108 2HH1 ARG 108 17.189 -7.268 29.737 900 HH21 ARG 108 1HH2 ARG 108 17.683 -4.118 28.301 901 HH22 ARG 108 2HH2 ARG 108 18.424 -5.623 28.728 902 H VAL 109 H VAL 109 11.210 -2.088 28.024 903 HA VAL 109 HA VAL 109 13.038 -1.685 25.858 904 HB VAL 109 HB VAL 109 10.064 -2.208 25.872 905 HG11 VAL 109 1HG1 VAL 109 10.402 -1.168 23.816 906 HG12 VAL 109 2HG1 VAL 109 12.008 -1.871 23.615 907 HG13 VAL 109 3HG1 VAL 109 10.573 -2.882 23.439 908 HG21 VAL 109 3HG2 VAL 109 10.553 -4.382 26.000 909 HG22 VAL 109 1HG2 VAL 109 11.810 -4.247 24.770 910 HG23 VAL 109 2HG2 VAL 109 12.184 -3.890 26.456 911 H VAL 110 H VAL 110 10.095 -0.011 26.955 912 HA VAL 110 HA VAL 110 9.992 1.975 25.020 913 HB VAL 110 HB VAL 110 8.166 1.678 26.567 914 HG11 VAL 110 1HG1 VAL 110 10.056 2.667 28.700 915 HG12 VAL 110 2HG1 VAL 110 8.336 2.341 28.919 916 HG13 VAL 110 3HG1 VAL 110 9.442 1.022 28.535 917 HG21 VAL 110 3HG2 VAL 110 9.202 4.397 27.256 918 HG22 VAL 110 1HG2 VAL 110 8.819 3.991 25.583 919 HG23 VAL 110 2HG2 VAL 110 7.567 3.899 26.822 920 H ASN 111 H ASN 111 11.955 1.760 27.924 921 HA ASN 111 HA ASN 111 12.862 4.428 27.978 922 HB2 ASN 111 2HB ASN 111 13.739 1.851 29.180 923 HB3 ASN 111 3HB ASN 111 14.917 3.159 29.135 924 HD21 ASN 111 1HD2 ASN 111 12.741 1.742 31.041 925 HD22 ASN 111 2HD2 ASN 111 12.264 3.077 32.028 926 H ILE 112 H ILE 112 13.920 1.597 26.208 927 HA ILE 112 HA ILE 112 16.443 2.345 25.385 928 HB ILE 112 HB ILE 112 14.353 0.931 23.725 929 HG12 ILE 112 2HG1 ILE 112 16.555 -0.237 25.438 930 HG13 ILE 112 3HG1 ILE 112 14.878 -0.094 25.955 931 HG21 ILE 112 1HG2 ILE 112 16.589 -0.093 22.793 932 HG22 ILE 112 2HG2 ILE 112 15.947 1.420 22.157 933 HG23 ILE 112 3HG2 ILE 112 17.258 1.446 23.336 934 HD11 ILE 112 3HD1 ILE 112 16.050 -1.846 23.835 935 HD12 ILE 112 1HD1 ILE 112 15.063 -2.289 25.228 936 HD13 ILE 112 2HD1 ILE 112 14.330 -1.457 23.855 937 H LEU 113 H LEU 113 13.323 3.229 23.947 938 HA LEU 113 HA LEU 113 14.183 4.581 21.704 939 HB2 LEU 113 2HB LEU 113 11.837 4.913 23.520 940 HB3 LEU 113 3HB LEU 113 12.107 6.082 22.229 941 HG LEU 113 HG LEU 113 10.486 4.346 21.604 942 HD11 LEU 113 1HD1 LEU 113 13.084 4.248 20.078 943 HD12 LEU 113 2HD1 LEU 113 11.787 5.423 19.865 944 HD13 LEU 113 3HD1 LEU 113 11.515 3.728 19.463 945 HD21 LEU 113 3HD2 LEU 113 10.997 2.077 21.479 946 HD22 LEU 113 1HD2 LEU 113 11.716 2.578 23.010 947 HD23 LEU 113 2HD2 LEU 113 12.734 2.362 21.587 948 H LYS 114 H LYS 114 14.218 5.612 25.046 949 HA LYS 114 HA LYS 114 14.768 8.360 24.522 950 HB2 LYS 114 2HB LYS 114 15.536 6.921 27.049 951 HB3 LYS 114 3HB LYS 114 15.053 8.600 26.847 952 HG2 LYS 114 2HG LYS 114 13.264 6.192 26.577 953 HG3 LYS 114 3HG LYS 114 13.303 7.324 27.931 954 HD2 LYS 114 2HD LYS 114 12.533 9.116 26.528 955 HD3 LYS 114 3HD LYS 114 12.668 8.105 25.088 956 HE2 LYS 114 2HE LYS 114 11.042 6.661 26.828 957 HE3 LYS 114 3HE LYS 114 10.504 8.332 26.993 958 HZ1 LYS 114 3HZ LYS 114 9.371 8.024 25.127 959 HZ2 LYS 114 1HZ LYS 114 10.090 6.519 24.846 960 HZ3 LYS 114 2HZ LYS 114 10.840 7.930 24.293 961 H GLU 115 H GLU 115 16.770 5.536 25.263 962 HA GLU 115 HA GLU 115 19.229 6.894 25.449 963 HB2 GLU 115 2HB GLU 115 18.429 4.055 24.942 964 HB3 GLU 115 3HB GLU 115 20.109 4.527 24.726 965 HG2 GLU 115 2HG GLU 115 18.684 5.210 27.256 966 HG3 GLU 115 3HG GLU 115 19.311 3.582 27.002 967 H ARG 116 H ARG 116 17.736 5.161 22.722 968 HA ARG 116 HA ARG 116 19.808 5.941 20.896 969 HB2 ARG 116 2HB ARG 116 17.084 4.869 20.170 970 HB3 ARG 116 3HB ARG 116 18.568 4.771 19.232 971 HG2 ARG 116 2HG ARG 116 17.965 3.332 21.806 972 HG3 ARG 116 3HG ARG 116 18.077 2.625 20.193 973 HD2 ARG 116 2HD ARG 116 20.471 3.608 20.194 974 HD3 ARG 116 3HD ARG 116 20.255 3.708 21.941 975 HE ARG 116 HE ARG 116 19.567 1.126 21.113 976 HH11 ARG 116 1HH1 ARG 116 22.369 3.180 21.341 977 HH12 ARG 116 2HH1 ARG 116 23.477 1.865 21.552 978 HH21 ARG 116 1HH2 ARG 116 21.017 -0.613 21.389 979 HH22 ARG 116 2HH2 ARG 116 22.707 -0.292 21.578 980 H ASN 117 H ASN 117 16.976 7.400 22.098 981 HA ASN 117 HA ASN 117 15.845 9.307 21.589 982 HB2 ASN 117 2HB ASN 117 18.268 10.121 21.751 983 HB3 ASN 117 3HB ASN 117 18.263 10.134 19.990 984 HD21 ASN 117 1HD2 ASN 117 18.551 12.352 19.904 985 HD22 ASN 117 2HD2 ASN 117 17.287 13.463 20.299 986 H ILE 118 H ILE 118 15.061 7.273 20.017 987 HA ILE 118 HA ILE 118 15.250 7.821 17.227 988 HB ILE 118 HB ILE 118 13.126 6.179 18.603 989 HG12 ILE 118 2HG1 ILE 118 15.399 5.474 19.294 990 HG13 ILE 118 3HG1 ILE 118 14.586 4.253 18.321 991 HG21 ILE 118 1HG2 ILE 118 14.268 6.008 15.818 992 HG22 ILE 118 2HG2 ILE 118 12.975 5.013 16.485 993 HG23 ILE 118 3HG2 ILE 118 12.721 6.741 16.241 994 HD11 ILE 118 3HD1 ILE 118 15.874 4.902 16.382 995 HD12 ILE 118 1HD1 ILE 118 16.645 6.195 17.301 996 HD13 ILE 118 2HD1 ILE 118 16.944 4.509 17.727 997 H PHE 119 H PHE 119 12.454 8.010 19.441 998 HA PHE 119 HA PHE 119 11.004 9.666 17.580 999 HB2 PHE 119 2HB PHE 119 10.320 8.884 20.422 1000 HB3 PHE 119 3HB PHE 119 9.224 9.634 19.267 1001 HD1 PHE 119 HD2 PHE 119 9.641 8.175 16.828 1002 HD2 PHE 119 HD1 PHE 119 9.587 6.748 20.837 1003 HE1 PHE 119 HE2 PHE 119 8.969 5.950 16.023 1004 HE2 PHE 119 HE1 PHE 119 8.917 4.519 20.038 1005 HZ PHE 119 HZ PHE 119 8.606 4.118 17.628 1006 H SER 120 H SER 120 9.999 11.730 18.318 1007 HA SER 120 HA SER 120 12.067 13.428 19.452 1008 HB2 SER 120 2HB SER 120 9.494 13.949 17.981 1009 HB3 SER 120 3HB SER 120 10.334 15.250 18.825 1010 HG SER 120 HG SER 120 11.740 15.307 17.271 1011 H LYS 121 H LYS 121 11.008 15.383 20.763 1012 HA LYS 121 HA LYS 121 10.274 14.320 23.266 1013 HB2 LYS 121 2HB LYS 121 11.377 16.603 22.633 1014 HB3 LYS 121 3HB LYS 121 9.716 17.170 22.519 1015 HG2 LYS 121 2HG LYS 121 10.259 17.708 24.686 1016 HG3 LYS 121 3HG LYS 121 9.473 16.141 24.889 1017 HD2 LYS 121 2HD LYS 121 11.359 15.846 26.169 1018 HD3 LYS 121 3HD LYS 121 11.919 15.230 24.612 1019 HE2 LYS 121 2HE LYS 121 12.275 18.124 25.224 1020 HE3 LYS 121 3HE LYS 121 13.347 16.958 25.998 1021 HZ1 LYS 121 3HZ LYS 121 13.280 17.852 23.267 1022 HZ2 LYS 121 1HZ LYS 121 13.350 16.168 23.411 1023 HZ3 LYS 121 2HZ LYS 121 14.538 17.129 24.137 1024 H GLN 122 H GLN 122 8.379 15.960 20.755 1025 HA GLN 122 HA GLN 122 5.943 16.087 22.101 1026 HB2 GLN 122 2HB GLN 122 6.680 15.945 19.195 1027 HB3 GLN 122 3HB GLN 122 4.991 15.937 19.686 1028 HG2 GLN 122 2HG GLN 122 5.525 18.172 19.189 1029 HG3 GLN 122 3HG GLN 122 5.462 18.061 20.948 1030 HE21 GLN 122 1HE2 GLN 122 7.829 17.622 18.335 1031 HE22 GLN 122 2HE2 GLN 122 9.111 18.469 19.125 1032 H VAL 123 H VAL 123 7.518 13.422 20.498 1033 HA VAL 123 HA VAL 123 5.184 11.740 20.455 1034 HB VAL 123 HB VAL 123 8.093 11.022 20.069 1035 HG11 VAL 123 1HG1 VAL 123 5.594 9.444 20.035 1036 HG12 VAL 123 2HG1 VAL 123 6.752 9.120 18.743 1037 HG13 VAL 123 3HG1 VAL 123 7.242 8.955 20.430 1038 HG21 VAL 123 3HG2 VAL 123 5.964 11.407 17.973 1039 HG22 VAL 123 1HG2 VAL 123 7.119 12.657 18.437 1040 HG23 VAL 123 2HG2 VAL 123 7.690 11.149 17.722 1041 H VAL 124 H VAL 124 8.235 11.732 22.299 1042 HA VAL 124 HA VAL 124 7.673 9.592 23.980 1043 HB VAL 124 HB VAL 124 9.278 12.073 24.614 1044 HG11 VAL 124 1HG1 VAL 124 9.154 11.199 26.697 1045 HG12 VAL 124 2HG1 VAL 124 8.752 9.583 26.114 1046 HG13 VAL 124 3HG1 VAL 124 10.424 10.144 26.080 1047 HG21 VAL 124 3HG2 VAL 124 11.010 9.974 24.160 1048 HG22 VAL 124 1HG2 VAL 124 9.764 9.753 22.932 1049 HG23 VAL 124 2HG2 VAL 124 10.642 11.279 23.034 1050 H ASN 125 H ASN 125 7.008 13.050 24.470 1051 HA ASN 125 HA ASN 125 5.927 12.907 27.025 1052 HB2 ASN 125 2HB ASN 125 5.661 14.792 24.735 1053 HB3 ASN 125 3HB ASN 125 4.491 14.933 26.044 1054 HD21 ASN 125 1HD2 ASN 125 7.956 14.183 25.960 1055 HD22 ASN 125 2HD2 ASN 125 8.427 15.439 27.049 1056 H ASP 126 H ASP 126 4.585 11.957 23.978 1057 HA ASP 126 HA ASP 126 1.851 11.910 24.832 1058 HB2 ASP 126 2HB ASP 126 2.642 12.093 22.434 1059 HB3 ASP 126 3HB ASP 126 3.060 10.384 22.522 1060 H ILE 127 H ILE 127 4.440 9.520 24.551 1061 HA ILE 127 HA ILE 127 2.971 7.218 25.103 1062 HB ILE 127 HB ILE 127 5.831 7.822 25.865 1063 HG12 ILE 127 2HG1 ILE 127 5.044 6.119 23.543 1064 HG13 ILE 127 3HG1 ILE 127 4.917 7.866 23.374 1065 HG21 ILE 127 1HG2 ILE 127 4.173 5.355 26.005 1066 HG22 ILE 127 2HG2 ILE 127 5.876 5.207 25.574 1067 HG23 ILE 127 3HG2 ILE 127 5.417 5.945 27.108 1068 HD11 ILE 127 3HD1 ILE 127 7.060 7.894 22.840 1069 HD12 ILE 127 1HD1 ILE 127 7.432 7.402 24.492 1070 HD13 ILE 127 2HD1 ILE 127 7.230 6.183 23.233 1071 H GLU 128 H GLU 128 4.584 9.467 27.325 1072 HA GLU 128 HA GLU 128 4.076 8.082 29.701 1073 HB2 GLU 128 2HB GLU 128 4.268 11.073 29.300 1074 HB3 GLU 128 3HB GLU 128 4.442 10.227 30.831 1075 HG2 GLU 128 2HG GLU 128 6.247 9.818 28.461 1076 HG3 GLU 128 3HG GLU 128 6.585 10.923 29.792 1077 H ARG 129 H ARG 129 2.181 10.605 28.071 1078 HA ARG 129 HA ARG 129 0.129 10.781 29.978 1079 HB2 ARG 129 2HB ARG 129 0.002 11.281 26.998 1080 HB3 ARG 129 3HB ARG 129 -1.200 11.805 28.169 1081 HG2 ARG 129 2HG ARG 129 1.644 12.637 28.507 1082 HG3 ARG 129 3HG ARG 129 0.619 13.459 27.328 1083 HD2 ARG 129 2HD ARG 129 -0.795 14.303 28.948 1084 HD3 ARG 129 3HD ARG 129 -0.367 13.054 30.117 1085 HE ARG 129 HE ARG 129 1.940 14.454 29.777 1086 HH11 ARG 129 1HH1 ARG 129 -1.327 15.309 30.626 1087 HH12 ARG 129 2HH1 ARG 129 -0.857 16.663 31.600 1088 HH21 ARG 129 1HH2 ARG 129 2.570 16.234 31.056 1089 HH22 ARG 129 2HH2 ARG 129 1.359 17.189 31.843 1090 H SER 130 H SER 130 0.543 8.690 27.166 1091 HA SER 130 HA SER 130 -1.998 7.559 27.062 1092 HB2 SER 130 2HB SER 130 0.718 6.724 26.179 1093 HB3 SER 130 3HB SER 130 -0.526 5.476 26.245 1094 HG SER 130 HG SER 130 -1.804 6.772 24.877 1095 H LEU 131 H LEU 131 0.882 6.029 28.513 1096 HA LEU 131 HA LEU 131 -0.411 3.962 29.810 1097 HB2 LEU 131 2HB LEU 131 2.132 5.438 30.319 1098 HB3 LEU 131 3HB LEU 131 1.575 4.249 31.494 1099 HG LEU 131 HG LEU 131 1.654 2.508 29.788 1100 HD11 LEU 131 1HD1 LEU 131 2.718 4.662 27.967 1101 HD12 LEU 131 2HD1 LEU 131 1.130 3.904 27.846 1102 HD13 LEU 131 3HD1 LEU 131 2.587 2.945 27.588 1103 HD21 LEU 131 3HD2 LEU 131 3.658 3.072 31.161 1104 HD22 LEU 131 1HD2 LEU 131 4.236 4.062 29.820 1105 HD23 LEU 131 2HD2 LEU 131 4.033 2.323 29.609 1106 H ALA 132 H ALA 132 0.096 7.282 30.876 1107 HA ALA 132 HA ALA 132 -0.836 6.923 33.528 1108 HB1 ALA 132 1HB ALA 132 -0.020 9.140 31.836 1109 HB2 ALA 132 2HB ALA 132 -1.351 9.562 32.915 1110 HB3 ALA 132 3HB ALA 132 0.152 8.921 33.578 1111 H ALA 133 H ALA 133 -2.428 7.482 30.477 1112 HA ALA 133 HA ALA 133 -4.946 8.267 31.578 1113 HB1 ALA 133 1HB ALA 133 -3.832 7.782 28.921 1114 HB2 ALA 133 2HB ALA 133 -5.530 7.329 29.077 1115 HB3 ALA 133 3HB ALA 133 -5.018 8.974 29.456 1116 H ALA 134 H ALA 134 -3.627 5.228 30.307 1117 HA ALA 134 HA ALA 134 -5.968 3.695 30.555 1118 HB1 ALA 134 1HB ALA 134 -4.243 2.816 29.214 1119 HB2 ALA 134 2HB ALA 134 -3.058 2.944 30.515 1120 HB3 ALA 134 3HB ALA 134 -4.347 1.745 30.612 1121 H LEU 135 H LEU 135 -3.712 4.822 32.904 1122 HA LEU 135 HA LEU 135 -4.594 2.899 34.911 1123 HB2 LEU 135 2HB LEU 135 -2.393 4.866 34.671 1124 HB3 LEU 135 3HB LEU 135 -2.995 4.534 36.293 1125 HG LEU 135 HG LEU 135 -0.998 3.200 35.651 1126 HD11 LEU 135 1HD1 LEU 135 -3.019 2.486 37.201 1127 HD12 LEU 135 2HD1 LEU 135 -1.683 1.390 36.851 1128 HD13 LEU 135 3HD1 LEU 135 -3.202 1.237 35.969 1129 HD21 LEU 135 3HD2 LEU 135 -2.672 1.445 33.951 1130 HD22 LEU 135 1HD2 LEU 135 -0.941 1.774 33.887 1131 HD23 LEU 135 2HD2 LEU 135 -2.085 2.945 33.231 1132 H GLU 136 H GLU 136 -5.415 5.984 33.776 1133 HA GLU 136 HA GLU 136 -6.472 6.951 36.295 1134 HB2 GLU 136 2HB GLU 136 -5.479 8.491 34.611 1135 HB3 GLU 136 3HB GLU 136 -6.797 8.095 33.516 1136 HG2 GLU 136 2HG GLU 136 -7.582 10.033 34.413 1137 HG3 GLU 136 3HG GLU 136 -8.285 8.866 35.532 1138 H HIS 137 H HIS 137 -8.362 6.303 37.059 1139 HA HIS 137 HA HIS 137 -10.532 5.720 35.161 1140 HB2 HIS 137 2HB HIS 137 -11.255 3.843 36.526 1141 HB3 HIS 137 3HB HIS 137 -9.580 3.607 36.035 1142 HD1 HIS 137 HD1 HIS 137 -7.753 3.926 37.906 1143 HD2 HIS 137 HD2 HIS 137 -11.684 3.973 39.249 1144 HE1 HIS 137 HE1 HIS 137 -7.615 3.625 40.399 1145 H HIS 138 H HIS 138 -12.629 6.205 35.864 1146 HA HIS 138 HA HIS 138 -12.808 8.413 37.656 1147 HB2 HIS 138 2HB HIS 138 -14.959 6.774 36.302 1148 HB3 HIS 138 3HB HIS 138 -15.259 8.251 37.212 1149 HD1 HIS 138 HD1 HIS 138 -13.399 7.088 34.121 1150 HD2 HIS 138 HD2 HIS 138 -15.014 10.546 35.761 1151 HE1 HIS 138 HE1 HIS 138 -13.202 8.838 32.326 Start of MODEL 6 1 H ALA 2 H ALA 2 7.362 -6.666 -6.651 2 HA ALA 2 HA ALA 2 7.172 -4.201 -5.047 3 HB1 ALA 2 1HB ALA 2 4.637 -5.110 -5.052 4 HB2 ALA 2 2HB ALA 2 5.278 -3.986 -6.251 5 HB3 ALA 2 3HB ALA 2 5.187 -5.709 -6.618 6 H PHE 3 H PHE 3 5.733 -4.525 -3.054 7 HA PHE 3 HA PHE 3 6.709 -6.908 -1.651 8 HB2 PHE 3 2HB PHE 3 6.432 -5.700 0.386 9 HB3 PHE 3 3HB PHE 3 7.191 -4.592 -0.753 10 HD1 PHE 3 HD2 PHE 3 5.733 -2.893 -1.927 11 HD2 PHE 3 HD1 PHE 3 4.410 -5.165 1.420 12 HE1 PHE 3 HE2 PHE 3 3.940 -1.256 -1.529 13 HE2 PHE 3 HE1 PHE 3 2.614 -3.532 1.823 14 HZ PHE 3 HZ PHE 3 2.378 -1.574 0.348 15 H SER 4 H SER 4 5.113 -7.481 0.270 16 HA SER 4 HA SER 4 2.358 -7.560 -0.741 17 HB2 SER 4 2HB SER 4 3.871 -9.700 -1.154 18 HB3 SER 4 3HB SER 4 3.463 -10.028 0.530 19 HG SER 4 HG SER 4 1.764 -9.837 -1.707 20 H SER 5 H SER 5 1.101 -6.698 0.760 21 HA SER 5 HA SER 5 1.867 -6.202 3.408 22 HB2 SER 5 2HB SER 5 -0.514 -5.625 3.782 23 HB3 SER 5 3HB SER 5 0.123 -4.898 2.307 24 HG SER 5 HG SER 5 -0.972 -6.388 1.101 25 H GLU 6 H GLU 6 0.334 -8.950 1.926 26 HA GLU 6 HA GLU 6 -0.763 -10.142 4.229 27 HB2 GLU 6 2HB GLU 6 -0.919 -12.156 2.934 28 HB3 GLU 6 3HB GLU 6 -1.277 -10.799 1.876 29 HG2 GLU 6 2HG GLU 6 1.255 -10.948 1.289 30 HG3 GLU 6 3HG GLU 6 1.107 -12.586 1.923 31 H GLN 7 H GLN 7 2.470 -10.100 2.907 32 HA GLN 7 HA GLN 7 3.514 -12.254 4.425 33 HB2 GLN 7 2HB GLN 7 4.583 -10.119 2.704 34 HB3 GLN 7 3HB GLN 7 5.684 -10.665 3.962 35 HG2 GLN 7 2HG GLN 7 5.325 -12.997 3.163 36 HG3 GLN 7 3HG GLN 7 4.402 -12.334 1.816 37 HE21 GLN 7 1HE2 GLN 7 5.516 -12.168 0.021 38 HE22 GLN 7 2HE2 GLN 7 7.211 -11.861 -0.109 39 H PHE 8 H PHE 8 3.586 -8.732 4.905 40 HA PHE 8 HA PHE 8 5.057 -8.693 7.270 41 HB2 PHE 8 2HB PHE 8 4.555 -6.669 5.986 42 HB3 PHE 8 3HB PHE 8 2.850 -6.817 6.396 43 HD1 PHE 8 HD2 PHE 8 6.170 -6.626 8.087 44 HD2 PHE 8 HD1 PHE 8 2.051 -5.555 8.136 45 HE1 PHE 8 HE2 PHE 8 6.547 -5.282 10.113 46 HE2 PHE 8 HE1 PHE 8 2.421 -4.208 10.161 47 HZ PHE 8 HZ PHE 8 4.671 -4.072 11.153 48 H THR 9 H THR 9 1.566 -9.003 6.767 49 HA THR 9 HA THR 9 0.919 -9.042 9.543 50 HB THR 9 HB THR 9 -0.867 -10.327 7.520 51 HG1 THR 9 HG1 THR 9 -0.960 -8.565 6.364 52 HG21 THR 9 3HG2 THR 9 -1.908 -8.248 9.284 53 HG22 THR 9 1HG2 THR 9 -1.149 -9.580 10.154 54 HG23 THR 9 2HG2 THR 9 -2.469 -9.900 9.029 55 H THR 10 H THR 10 1.050 -11.599 7.063 56 HA THR 10 HA THR 10 0.460 -13.760 8.714 57 HB THR 10 HB THR 10 2.256 -13.721 6.281 58 HG1 THR 10 HG1 THR 10 0.445 -13.795 5.156 59 HG21 THR 10 3HG2 THR 10 1.438 -16.154 6.158 60 HG22 THR 10 1HG2 THR 10 1.029 -15.962 7.862 61 HG23 THR 10 2HG2 THR 10 2.699 -15.770 7.329 62 H LYS 11 H LYS 11 3.468 -12.043 8.213 63 HA LYS 11 HA LYS 11 5.106 -13.981 9.547 64 HB2 LYS 11 2HB LYS 11 5.535 -11.155 8.612 65 HB3 LYS 11 3HB LYS 11 6.744 -11.980 9.587 66 HG2 LYS 11 2HG LYS 11 6.974 -13.705 7.911 67 HG3 LYS 11 3HG LYS 11 5.684 -12.978 6.950 68 HD2 LYS 11 2HD LYS 11 6.992 -11.150 6.351 69 HD3 LYS 11 3HD LYS 11 8.108 -11.384 7.698 70 HE2 LYS 11 2HE LYS 11 9.264 -12.061 5.747 71 HE3 LYS 11 3HE LYS 11 8.806 -13.539 6.591 72 HZ1 LYS 11 3HZ LYS 11 8.335 -13.836 4.300 73 HZ2 LYS 11 1HZ LYS 11 7.510 -12.363 4.197 74 HZ3 LYS 11 2HZ LYS 11 6.847 -13.644 5.080 75 H LEU 12 H LEU 12 3.731 -10.828 10.436 76 HA LEU 12 HA LEU 12 4.801 -10.533 12.959 77 HB2 LEU 12 2HB LEU 12 2.223 -9.699 11.712 78 HB3 LEU 12 3HB LEU 12 2.466 -9.440 13.438 79 HG LEU 12 HG LEU 12 4.414 -8.404 11.400 80 HD11 LEU 12 1HD1 LEU 12 2.636 -7.229 10.615 81 HD12 LEU 12 2HD1 LEU 12 3.051 -6.202 11.987 82 HD13 LEU 12 3HD1 LEU 12 1.734 -7.366 12.124 83 HD21 LEU 12 3HD2 LEU 12 5.493 -7.777 13.235 84 HD22 LEU 12 1HD2 LEU 12 4.184 -8.370 14.259 85 HD23 LEU 12 2HD2 LEU 12 4.135 -6.723 13.629 86 H ASN 13 H ASN 13 2.175 -12.599 11.907 87 HA ASN 13 HA ASN 13 1.363 -13.307 14.574 88 HB2 ASN 13 2HB ASN 13 0.671 -14.422 11.853 89 HB3 ASN 13 3HB ASN 13 0.011 -15.069 13.352 90 HD21 ASN 13 1HD2 ASN 13 -0.409 -12.854 10.900 91 HD22 ASN 13 2HD2 ASN 13 -1.625 -11.871 11.634 92 H THR 14 H THR 14 3.489 -14.610 12.116 93 HA THR 14 HA THR 14 4.005 -16.992 13.737 94 HB THR 14 HB THR 14 5.263 -17.840 11.826 95 HG1 THR 14 HG1 THR 14 5.767 -16.593 10.144 96 HG21 THR 14 3HG2 THR 14 2.987 -18.406 11.698 97 HG22 THR 14 1HG2 THR 14 3.367 -17.758 10.103 98 HG23 THR 14 2HG2 THR 14 2.511 -16.760 11.279 99 H LEU 15 H LEU 15 4.934 -14.155 14.300 100 HA LEU 15 HA LEU 15 7.804 -14.296 14.013 101 HB2 LEU 15 2HB LEU 15 5.828 -12.320 14.941 102 HB3 LEU 15 3HB LEU 15 7.397 -12.255 15.740 103 HG LEU 15 HG LEU 15 6.916 -12.003 12.771 104 HD11 LEU 15 1HD1 LEU 15 8.105 -9.789 14.285 105 HD12 LEU 15 2HD1 LEU 15 6.412 -10.118 14.653 106 HD13 LEU 15 3HD1 LEU 15 6.902 -9.772 12.995 107 HD21 LEU 15 3HD2 LEU 15 9.458 -11.076 13.462 108 HD22 LEU 15 1HD2 LEU 15 9.062 -12.536 12.556 109 HD23 LEU 15 2HD2 LEU 15 9.276 -12.615 14.305 110 H GLU 16 H GLU 16 9.232 -15.021 15.467 111 HA GLU 16 HA GLU 16 8.194 -15.872 18.087 112 HB2 GLU 16 2HB GLU 16 10.159 -17.045 16.196 113 HB3 GLU 16 3HB GLU 16 10.507 -17.222 17.911 114 HG2 GLU 16 2HG GLU 16 8.059 -18.067 18.056 115 HG3 GLU 16 3HG GLU 16 8.234 -18.318 16.320 116 H ASP 17 H ASP 17 9.749 -15.792 19.893 117 HA ASP 17 HA ASP 17 11.044 -13.214 19.961 118 HB2 ASP 17 2HB ASP 17 11.508 -13.835 22.353 119 HB3 ASP 17 3HB ASP 17 9.803 -13.841 21.912 120 H SER 18 H SER 18 12.776 -13.477 18.512 121 HA SER 18 HA SER 18 15.066 -14.867 19.684 122 HB2 SER 18 2HB SER 18 14.860 -15.097 16.739 123 HB3 SER 18 3HB SER 18 15.479 -16.250 17.921 124 HG SER 18 HG SER 18 13.234 -16.446 16.711 125 H GLN 19 H GLN 19 17.108 -14.058 18.999 126 HA GLN 19 HA GLN 19 17.130 -11.255 18.558 127 HB2 GLN 19 2HB GLN 19 19.167 -13.384 18.921 128 HB3 GLN 19 3HB GLN 19 19.697 -11.902 18.137 129 HG2 GLN 19 2HG GLN 19 18.253 -11.923 20.769 130 HG3 GLN 19 3HG GLN 19 20.007 -12.026 20.633 131 HE21 GLN 19 1HE2 GLN 19 17.202 -10.022 20.076 132 HE22 GLN 19 2HE2 GLN 19 18.052 -8.522 19.970 133 H GLU 20 H GLU 20 17.910 -14.042 16.515 134 HA GLU 20 HA GLU 20 18.648 -12.433 14.262 135 HB2 GLU 20 2HB GLU 20 19.260 -14.931 14.896 136 HB3 GLU 20 3HB GLU 20 17.820 -15.283 13.951 137 HG2 GLU 20 2HG GLU 20 19.648 -15.455 12.478 138 HG3 GLU 20 3HG GLU 20 18.839 -13.938 12.091 139 H SER 21 H SER 21 15.728 -13.998 15.390 140 HA SER 21 HA SER 21 14.212 -13.947 13.051 141 HB2 SER 21 2HB SER 21 12.268 -14.135 14.469 142 HB3 SER 21 3HB SER 21 13.569 -15.078 15.196 143 HG SER 21 HG SER 21 12.352 -12.741 16.076 144 H ILE 22 H ILE 22 14.440 -11.501 15.627 145 HA ILE 22 HA ILE 22 12.706 -9.628 14.466 146 HB ILE 22 HB ILE 22 15.057 -9.131 16.296 147 HG12 ILE 22 2HG1 ILE 22 13.326 -10.680 17.186 148 HG13 ILE 22 3HG1 ILE 22 13.433 -9.177 18.096 149 HG21 ILE 22 1HG2 ILE 22 13.846 -7.041 16.870 150 HG22 ILE 22 2HG2 ILE 22 14.438 -7.081 15.210 151 HG23 ILE 22 3HG2 ILE 22 12.730 -7.370 15.544 152 HD11 ILE 22 3HD1 ILE 22 11.124 -9.886 17.744 153 HD12 ILE 22 1HD1 ILE 22 11.459 -8.334 16.977 154 HD13 ILE 22 2HD1 ILE 22 11.368 -9.799 16.000 155 H SER 23 H SER 23 16.144 -10.216 14.022 156 HA SER 23 HA SER 23 16.618 -7.854 12.482 157 HB2 SER 23 2HB SER 23 18.527 -8.744 13.550 158 HB3 SER 23 3HB SER 23 18.193 -10.377 12.972 159 HG SER 23 HG SER 23 19.744 -9.671 11.631 160 H SER 24 H SER 24 15.564 -11.096 11.790 161 HA SER 24 HA SER 24 16.135 -11.155 9.029 162 HB2 SER 24 2HB SER 24 14.088 -12.614 10.703 163 HB3 SER 24 3HB SER 24 14.305 -12.919 8.980 164 HG SER 24 HG SER 24 16.611 -13.251 9.603 165 H ALA 25 H ALA 25 13.171 -10.289 10.794 166 HA ALA 25 HA ALA 25 11.749 -9.547 8.426 167 HB1 ALA 25 1HB ALA 25 11.146 -8.939 11.318 168 HB2 ALA 25 2HB ALA 25 10.038 -8.717 9.964 169 HB3 ALA 25 3HB ALA 25 10.573 -10.338 10.408 170 H SER 26 H SER 26 13.639 -7.842 10.850 171 HA SER 26 HA SER 26 12.922 -5.221 10.317 172 HB2 SER 26 2HB SER 26 15.007 -4.570 11.314 173 HB3 SER 26 3HB SER 26 14.460 -6.024 12.149 174 HG SER 26 HG SER 26 16.583 -5.689 10.351 175 H LYS 27 H LYS 27 15.280 -7.273 8.663 176 HA LYS 27 HA LYS 27 16.286 -5.288 6.925 177 HB2 LYS 27 2HB LYS 27 16.203 -8.297 6.730 178 HB3 LYS 27 3HB LYS 27 16.993 -7.287 5.526 179 HG2 LYS 27 2HG LYS 27 18.706 -6.714 6.926 180 HG3 LYS 27 3HG LYS 27 17.734 -6.928 8.383 181 HD2 LYS 27 2HD LYS 27 17.961 -9.262 8.326 182 HD3 LYS 27 3HD LYS 27 18.491 -9.255 6.643 183 HE2 LYS 27 2HE LYS 27 20.122 -7.834 8.699 184 HE3 LYS 27 3HE LYS 27 20.215 -9.591 8.588 185 HZ1 LYS 27 3HZ LYS 27 20.739 -7.691 6.367 186 HZ2 LYS 27 1HZ LYS 27 20.827 -9.377 6.261 187 HZ3 LYS 27 2HZ LYS 27 21.915 -8.534 7.243 188 H TRP 28 H TRP 28 13.631 -7.600 6.631 189 HA TRP 28 HA TRP 28 13.015 -7.122 3.932 190 HB2 TRP 28 2HB TRP 28 12.153 -9.025 5.319 191 HB3 TRP 28 3HB TRP 28 11.069 -7.888 6.116 192 HD1 TRP 28 HD1 TRP 28 11.821 -8.773 2.398 193 HE1 TRP 28 HE1 TRP 28 9.567 -8.955 1.168 194 HE3 TRP 28 HE3 TRP 28 8.683 -7.710 6.291 195 HZ2 TRP 28 HZ2 TRP 28 6.823 -8.683 1.768 196 HZ3 TRP 28 HZ3 TRP 28 6.257 -7.691 5.879 197 HH2 TRP 28 HH2 TRP 28 5.348 -8.167 3.664 198 H LEU 29 H LEU 29 11.828 -5.601 6.905 199 HA LEU 29 HA LEU 29 9.983 -3.879 5.596 200 HB2 LEU 29 2HB LEU 29 11.217 -3.932 8.327 201 HB3 LEU 29 3HB LEU 29 10.188 -2.594 7.819 202 HG LEU 29 HG LEU 29 9.064 -5.308 7.487 203 HD11 LEU 29 1HD1 LEU 29 10.340 -5.134 9.757 204 HD12 LEU 29 2HD1 LEU 29 8.702 -5.785 9.706 205 HD13 LEU 29 3HD1 LEU 29 8.973 -4.121 10.222 206 HD21 LEU 29 3HD2 LEU 29 7.115 -4.198 7.542 207 HD22 LEU 29 1HD2 LEU 29 8.113 -2.768 7.277 208 HD23 LEU 29 2HD2 LEU 29 7.607 -3.199 8.911 209 H LEU 30 H LEU 30 13.368 -3.643 6.449 210 HA LEU 30 HA LEU 30 13.683 -0.864 6.124 211 HB2 LEU 30 2HB LEU 30 15.307 -3.033 6.768 212 HB3 LEU 30 3HB LEU 30 16.007 -2.369 5.293 213 HG LEU 30 HG LEU 30 17.146 -1.367 7.109 214 HD11 LEU 30 1HD1 LEU 30 16.782 0.936 6.727 215 HD12 LEU 30 2HD1 LEU 30 15.090 0.675 6.307 216 HD13 LEU 30 3HD1 LEU 30 16.363 0.115 5.223 217 HD21 LEU 30 3HD2 LEU 30 16.040 -0.244 8.948 218 HD22 LEU 30 1HD2 LEU 30 15.493 -1.918 8.847 219 HD23 LEU 30 2HD2 LEU 30 14.460 -0.616 8.258 220 H LEU 31 H LEU 31 13.403 -3.460 3.850 221 HA LEU 31 HA LEU 31 14.493 -1.983 1.630 222 HB2 LEU 31 2HB LEU 31 12.953 -4.567 1.779 223 HB3 LEU 31 3HB LEU 31 13.603 -3.889 0.287 224 HG LEU 31 HG LEU 31 15.157 -4.926 2.653 225 HD11 LEU 31 1HD1 LEU 31 14.414 -6.719 1.304 226 HD12 LEU 31 2HD1 LEU 31 16.093 -6.424 0.853 227 HD13 LEU 31 3HD1 LEU 31 14.788 -5.851 -0.185 228 HD21 LEU 31 3HD2 LEU 31 15.954 -3.189 0.376 229 HD22 LEU 31 1HD2 LEU 31 17.068 -4.455 0.891 230 HD23 LEU 31 2HD2 LEU 31 16.546 -3.222 2.038 231 H GLN 32 H GLN 32 11.322 -2.664 2.965 232 HA GLN 32 HA GLN 32 10.016 -1.290 0.743 233 HB2 GLN 32 2HB GLN 32 7.947 -2.103 1.629 234 HB3 GLN 32 3HB GLN 32 9.094 -3.436 1.648 235 HG2 GLN 32 2HG GLN 32 9.521 -2.634 4.100 236 HG3 GLN 32 3HG GLN 32 7.928 -1.904 3.916 237 HE21 GLN 32 1HE2 GLN 32 9.374 -4.968 2.860 238 HE22 GLN 32 2HE2 GLN 32 8.154 -5.978 3.550 239 H TYR 33 H TYR 33 11.712 0.224 2.491 240 HA TYR 33 HA TYR 33 10.442 1.596 4.527 241 HB2 TYR 33 2HB TYR 33 12.115 3.253 4.312 242 HB3 TYR 33 3HB TYR 33 12.876 1.759 3.780 243 HD1 TYR 33 HD2 TYR 33 12.561 1.327 1.136 244 HD2 TYR 33 HD1 TYR 33 12.518 5.130 3.043 245 HE1 TYR 33 HE2 TYR 33 13.177 2.394 -0.992 246 HE2 TYR 33 HE1 TYR 33 13.132 6.208 0.919 247 HH TYR 33 HH TYR 33 13.473 4.324 -2.066 248 H ARG 34 H ARG 34 10.034 1.874 1.087 249 HA ARG 34 HA ARG 34 8.931 4.398 0.830 250 HB2 ARG 34 2HB ARG 34 7.971 1.936 -0.635 251 HB3 ARG 34 3HB ARG 34 7.874 3.604 -1.184 252 HG2 ARG 34 2HG ARG 34 10.474 3.525 -0.964 253 HG3 ARG 34 3HG ARG 34 10.226 1.781 -1.068 254 HD2 ARG 34 2HD ARG 34 8.959 3.633 -3.052 255 HD3 ARG 34 3HD ARG 34 10.638 3.126 -3.238 256 HE ARG 34 HE ARG 34 8.305 1.560 -3.745 257 HH11 ARG 34 1HH1 ARG 34 11.630 1.403 -2.725 258 HH12 ARG 34 2HH1 ARG 34 11.851 -0.232 -3.254 259 HH21 ARG 34 1HH2 ARG 34 8.584 -0.594 -4.445 260 HH22 ARG 34 2HH2 ARG 34 10.118 -1.367 -4.232 261 H ASP 35 H ASP 35 7.560 1.512 2.205 262 HA ASP 35 HA ASP 35 4.902 2.714 2.350 263 HB2 ASP 35 2HB ASP 35 5.593 0.046 3.531 264 HB3 ASP 35 3HB ASP 35 4.069 0.596 2.838 265 H ALA 36 H ALA 36 6.748 4.126 3.803 266 HA ALA 36 HA ALA 36 7.128 3.397 6.462 267 HB1 ALA 36 1HB ALA 36 8.247 5.309 6.418 268 HB2 ALA 36 2HB ALA 36 7.506 5.723 4.872 269 HB3 ALA 36 3HB ALA 36 6.724 6.198 6.379 270 HA PRO 37 HA PRO 37 3.067 5.735 7.614 271 HB2 PRO 37 2HB PRO 37 1.469 6.560 5.580 272 HB3 PRO 37 3HB PRO 37 2.765 7.558 6.248 273 HG2 PRO 37 2HG PRO 37 2.757 5.870 3.776 274 HG3 PRO 37 3HG PRO 37 3.407 7.503 4.014 275 HD2 PRO 37 2HD PRO 37 4.976 5.296 4.014 276 HD3 PRO 37 3HD PRO 37 5.339 6.726 5.001 277 H LYS 38 H LYS 38 2.997 3.698 4.743 278 HA LYS 38 HA LYS 38 0.398 2.646 5.115 279 HB2 LYS 38 2HB LYS 38 2.770 1.976 3.472 280 HB3 LYS 38 3HB LYS 38 1.636 0.665 3.765 281 HG2 LYS 38 2HG LYS 38 0.660 3.315 2.787 282 HG3 LYS 38 3HG LYS 38 1.352 2.140 1.667 283 HD2 LYS 38 2HD LYS 38 -0.340 0.587 2.059 284 HD3 LYS 38 3HD LYS 38 -0.808 1.340 3.586 285 HE2 LYS 38 2HE LYS 38 -1.159 2.622 0.880 286 HE3 LYS 38 3HE LYS 38 -2.418 1.715 1.717 287 HZ1 LYS 38 3HZ LYS 38 -2.840 3.915 2.269 288 HZ2 LYS 38 1HZ LYS 38 -1.204 4.300 2.466 289 HZ3 LYS 38 2HZ LYS 38 -1.993 3.345 3.618 290 H VAL 39 H VAL 39 3.595 1.234 5.833 291 HA VAL 39 HA VAL 39 2.651 -1.065 7.123 292 HB VAL 39 HB VAL 39 5.248 0.408 7.592 293 HG11 VAL 39 1HG1 VAL 39 4.470 -2.433 8.246 294 HG12 VAL 39 2HG1 VAL 39 6.081 -1.738 8.430 295 HG13 VAL 39 3HG1 VAL 39 4.743 -1.135 9.408 296 HG21 VAL 39 3HG2 VAL 39 4.609 -0.438 5.231 297 HG22 VAL 39 1HG2 VAL 39 6.198 -0.843 5.881 298 HG23 VAL 39 2HG2 VAL 39 4.906 -2.042 5.902 299 H ALA 40 H ALA 40 3.361 2.162 8.354 300 HA ALA 40 HA ALA 40 3.123 1.556 11.101 301 HB1 ALA 40 1HB ALA 40 2.463 4.142 11.076 302 HB2 ALA 40 2HB ALA 40 4.122 3.578 10.872 303 HB3 ALA 40 3HB ALA 40 3.160 4.018 9.461 304 H GLU 41 H GLU 41 0.779 2.761 8.722 305 HA GLU 41 HA GLU 41 -1.375 3.069 10.505 306 HB2 GLU 41 2HB GLU 41 -1.134 3.927 8.094 307 HB3 GLU 41 3HB GLU 41 -1.688 2.332 7.604 308 HG2 GLU 41 2HG GLU 41 -3.792 2.638 8.600 309 HG3 GLU 41 3HG GLU 41 -3.244 4.043 9.513 310 H MET 42 H MET 42 -0.543 0.384 8.321 311 HA MET 42 HA MET 42 -2.680 -1.287 9.068 312 HB2 MET 42 2HB MET 42 -0.844 -1.406 7.122 313 HB3 MET 42 3HB MET 42 -0.107 -2.531 8.255 314 HG2 MET 42 2HG MET 42 -2.951 -2.755 7.311 315 HG3 MET 42 3HG MET 42 -1.593 -3.556 6.524 316 HE1 MET 42 3HE MET 42 -0.572 -6.359 8.816 317 HE2 MET 42 1HE MET 42 -0.430 -5.543 7.259 318 HE3 MET 42 2HE MET 42 0.266 -4.811 8.705 319 H TRP 43 H TRP 43 0.710 -1.226 10.152 320 HA TRP 43 HA TRP 43 0.609 -3.340 11.944 321 HB2 TRP 43 2HB TRP 43 2.694 -2.212 11.290 322 HB3 TRP 43 3HB TRP 43 2.206 -0.781 12.193 323 HD1 TRP 43 HD1 TRP 43 3.431 -4.378 12.725 324 HE1 TRP 43 HE1 TRP 43 4.314 -4.591 15.134 325 HE3 TRP 43 HE3 TRP 43 2.017 0.197 14.516 326 HZ2 TRP 43 HZ2 TRP 43 4.399 -3.027 17.482 327 HZ3 TRP 43 HZ3 TRP 43 2.536 0.760 16.854 328 HH2 TRP 43 HH2 TRP 43 3.702 -0.820 18.305 329 H LYS 44 H LYS 44 -0.020 0.107 12.561 330 HA LYS 44 HA LYS 44 -0.588 -0.114 15.290 331 HB2 LYS 44 2HB LYS 44 -0.199 2.024 14.094 332 HB3 LYS 44 3HB LYS 44 -1.767 1.850 13.317 333 HG2 LYS 44 2HG LYS 44 -2.604 1.679 15.808 334 HG3 LYS 44 3HG LYS 44 -1.106 2.557 16.124 335 HD2 LYS 44 2HD LYS 44 -2.652 4.263 15.814 336 HD3 LYS 44 3HD LYS 44 -1.900 4.122 14.224 337 HE2 LYS 44 2HE LYS 44 -3.795 2.596 13.585 338 HE3 LYS 44 3HE LYS 44 -4.568 3.037 15.106 339 HZ1 LYS 44 3HZ LYS 44 -5.454 4.446 13.455 340 HZ2 LYS 44 1HZ LYS 44 -3.929 4.809 12.819 341 HZ3 LYS 44 2HZ LYS 44 -4.374 5.401 14.340 342 H GLU 45 H GLU 45 -2.933 0.180 12.612 343 HA GLU 45 HA GLU 45 -5.229 -0.313 14.083 344 HB2 GLU 45 2HB GLU 45 -4.479 -0.547 11.220 345 HB3 GLU 45 3HB GLU 45 -5.947 -1.373 11.724 346 HG2 GLU 45 2HG GLU 45 -6.577 0.885 12.797 347 HG3 GLU 45 3HG GLU 45 -5.329 1.550 11.745 348 H TYR 46 H TYR 46 -2.830 -2.534 12.889 349 HA TYR 46 HA TYR 46 -4.423 -4.891 13.272 350 HB2 TYR 46 2HB TYR 46 -2.728 -5.091 11.640 351 HB3 TYR 46 3HB TYR 46 -1.503 -4.413 12.707 352 HD1 TYR 46 HD1 TYR 46 -3.576 -7.404 12.052 353 HD2 TYR 46 HD2 TYR 46 -0.269 -5.796 14.194 354 HE1 TYR 46 HE1 TYR 46 -2.914 -9.675 12.724 355 HE2 TYR 46 HE2 TYR 46 0.402 -8.063 14.871 356 HH TYR 46 HH TYR 46 -0.469 -10.249 15.100 357 H MET 47 H MET 47 -1.993 -3.135 15.120 358 HA MET 47 HA MET 47 -1.794 -5.100 17.191 359 HB2 MET 47 2HB MET 47 -0.941 -2.205 17.073 360 HB3 MET 47 3HB MET 47 -0.593 -3.275 18.424 361 HG2 MET 47 2HG MET 47 0.224 -4.052 15.663 362 HG3 MET 47 3HG MET 47 1.183 -2.890 16.576 363 HE1 MET 47 3HE MET 47 1.716 -4.372 19.762 364 HE2 MET 47 1HE MET 47 3.207 -4.496 18.828 365 HE3 MET 47 2HE MET 47 2.133 -3.115 18.596 366 H LEU 48 H LEU 48 -3.936 -2.500 16.484 367 HA LEU 48 HA LEU 48 -4.963 -2.415 19.218 368 HB2 LEU 48 2HB LEU 48 -5.749 -0.819 16.785 369 HB3 LEU 48 3HB LEU 48 -6.355 -0.567 18.420 370 HG LEU 48 HG LEU 48 -3.529 -0.125 17.461 371 HD11 LEU 48 1HD1 LEU 48 -4.118 1.976 17.071 372 HD12 LEU 48 2HD1 LEU 48 -4.832 2.124 18.677 373 HD13 LEU 48 3HD1 LEU 48 -5.799 1.511 17.335 374 HD21 LEU 48 3HD2 LEU 48 -3.743 1.015 19.937 375 HD22 LEU 48 1HD2 LEU 48 -2.981 -0.537 19.590 376 HD23 LEU 48 2HD2 LEU 48 -4.659 -0.480 20.133 377 H ARG 49 H ARG 49 -5.280 -4.783 17.517 378 HA ARG 49 HA ARG 49 -8.209 -4.815 17.218 379 HB2 ARG 49 2HB ARG 49 -5.997 -6.164 15.752 380 HB3 ARG 49 3HB ARG 49 -7.504 -7.051 15.941 381 HG2 ARG 49 2HG ARG 49 -8.720 -5.481 14.713 382 HG3 ARG 49 3HG ARG 49 -7.462 -4.253 14.870 383 HD2 ARG 49 2HD ARG 49 -6.981 -4.911 12.759 384 HD3 ARG 49 3HD ARG 49 -6.061 -6.152 13.609 385 HE ARG 49 HE ARG 49 -7.539 -7.723 12.844 386 HH11 ARG 49 1HH1 ARG 49 -8.921 -4.554 12.428 387 HH12 ARG 49 2HH1 ARG 49 -10.275 -5.123 11.509 388 HH21 ARG 49 1HH2 ARG 49 -9.318 -8.483 11.635 389 HH22 ARG 49 2HH2 ARG 49 -10.500 -7.358 11.059 390 HA PRO 50 HA PRO 50 -8.611 -7.666 20.533 391 HB2 PRO 50 2HB PRO 50 -10.759 -9.107 19.709 392 HB3 PRO 50 3HB PRO 50 -10.884 -7.440 20.284 393 HG2 PRO 50 2HG PRO 50 -10.811 -8.474 17.476 394 HG3 PRO 50 3HG PRO 50 -11.844 -7.214 18.178 395 HD2 PRO 50 2HD PRO 50 -9.647 -6.642 16.702 396 HD3 PRO 50 3HD PRO 50 -10.196 -5.609 18.038 397 H SER 51 H SER 51 -8.850 -9.136 17.300 398 HA SER 51 HA SER 51 -8.419 -11.778 17.933 399 HB2 SER 51 2HB SER 51 -7.698 -10.124 15.534 400 HB3 SER 51 3HB SER 51 -7.193 -11.811 15.623 401 HG SER 51 HG SER 51 -9.133 -12.051 14.777 402 H VAL 52 H VAL 52 -6.007 -9.231 17.449 403 HA VAL 52 HA VAL 52 -3.724 -10.864 17.694 404 HB VAL 52 HB VAL 52 -4.005 -7.931 18.367 405 HG11 VAL 52 1HG1 VAL 52 -1.988 -8.984 19.310 406 HG12 VAL 52 2HG1 VAL 52 -1.537 -9.529 17.693 407 HG13 VAL 52 3HG1 VAL 52 -1.607 -7.804 18.057 408 HG21 VAL 52 3HG2 VAL 52 -4.577 -7.955 16.150 409 HG22 VAL 52 1HG2 VAL 52 -2.821 -7.873 16.011 410 HG23 VAL 52 2HG2 VAL 52 -3.649 -9.417 15.813 411 H ASN 53 H ASN 53 -3.009 -11.944 19.398 412 HA ASN 53 HA ASN 53 -4.067 -11.416 22.033 413 HB2 ASN 53 2HB ASN 53 -2.259 -13.522 20.874 414 HB3 ASN 53 3HB ASN 53 -2.466 -13.367 22.616 415 HD21 ASN 53 1HD2 ASN 53 -3.180 -15.605 21.015 416 HD22 ASN 53 2HD2 ASN 53 -4.890 -15.812 21.148 417 H THR 54 H THR 54 -2.178 -11.845 23.815 418 HA THR 54 HA THR 54 -0.733 -9.425 23.913 419 HB THR 54 HB THR 54 0.375 -11.498 25.633 420 HG1 THR 54 HG1 THR 54 -2.443 -11.063 25.632 421 HG21 THR 54 3HG2 THR 54 -0.249 -9.911 27.379 422 HG22 THR 54 1HG2 THR 54 -1.202 -8.988 26.218 423 HG23 THR 54 2HG2 THR 54 0.550 -9.081 26.044 424 H ARG 55 H ARG 55 0.354 -12.778 23.403 425 HA ARG 55 HA ARG 55 3.069 -12.338 23.171 426 HB2 ARG 55 2HB ARG 55 1.475 -14.510 22.922 427 HB3 ARG 55 3HB ARG 55 1.919 -14.259 21.239 428 HG2 ARG 55 2HG ARG 55 3.566 -15.690 21.945 429 HG3 ARG 55 3HG ARG 55 4.340 -14.123 22.183 430 HD2 ARG 55 2HD ARG 55 4.791 -15.079 24.205 431 HD3 ARG 55 3HD ARG 55 3.234 -14.338 24.572 432 HE ARG 55 HE ARG 55 2.592 -16.832 23.690 433 HH11 ARG 55 1HH1 ARG 55 4.687 -15.582 26.173 434 HH12 ARG 55 2HH1 ARG 55 4.496 -16.958 27.209 435 HH21 ARG 55 1HH2 ARG 55 2.332 -18.648 25.045 436 HH22 ARG 55 2HH2 ARG 55 3.157 -18.702 26.566 437 H ARG 56 H ARG 56 0.664 -12.336 20.540 438 HA ARG 56 HA ARG 56 2.353 -11.723 18.435 439 HB2 ARG 56 2HB ARG 56 -0.501 -10.806 18.834 440 HB3 ARG 56 3HB ARG 56 0.362 -10.818 17.302 441 HG2 ARG 56 2HG ARG 56 0.671 -13.360 17.844 442 HG3 ARG 56 3HG ARG 56 -0.731 -13.090 18.881 443 HD2 ARG 56 2HD ARG 56 -2.102 -12.522 17.087 444 HD3 ARG 56 3HD ARG 56 -0.734 -12.168 16.032 445 HE ARG 56 HE ARG 56 -0.617 -14.393 15.481 446 HH11 ARG 56 1HH1 ARG 56 -2.695 -13.986 18.244 447 HH12 ARG 56 2HH1 ARG 56 -3.270 -15.620 18.218 448 HH21 ARG 56 1HH2 ARG 56 -1.365 -16.548 15.435 449 HH22 ARG 56 2HH2 ARG 56 -2.512 -17.077 16.620 450 H LYS 57 H LYS 57 0.673 -9.516 20.645 451 HA LYS 57 HA LYS 57 1.463 -7.111 19.445 452 HB2 LYS 57 2HB LYS 57 0.605 -7.872 22.215 453 HB3 LYS 57 3HB LYS 57 1.185 -6.243 21.895 454 HG2 LYS 57 2HG LYS 57 -0.609 -5.720 20.549 455 HG3 LYS 57 3HG LYS 57 -0.953 -7.410 20.174 456 HD2 LYS 57 2HD LYS 57 -1.507 -7.626 22.682 457 HD3 LYS 57 3HD LYS 57 -1.587 -5.863 22.665 458 HE2 LYS 57 2HE LYS 57 -3.323 -5.903 21.007 459 HE3 LYS 57 3HE LYS 57 -3.158 -7.647 20.812 460 HZ1 LYS 57 3HZ LYS 57 -5.067 -6.923 22.213 461 HZ2 LYS 57 1HZ LYS 57 -3.958 -6.359 23.360 462 HZ3 LYS 57 2HZ LYS 57 -4.016 -8.005 22.978 463 H LEU 58 H LEU 58 2.934 -8.887 22.159 464 HA LEU 58 HA LEU 58 5.048 -7.199 22.702 465 HB2 LEU 58 2HB LEU 58 4.459 -9.168 24.040 466 HB3 LEU 58 3HB LEU 58 5.059 -10.214 22.756 467 HG LEU 58 HG LEU 58 6.537 -9.803 24.828 468 HD11 LEU 58 1HD1 LEU 58 7.893 -9.264 22.211 469 HD12 LEU 58 2HD1 LEU 58 7.139 -10.821 22.552 470 HD13 LEU 58 3HD1 LEU 58 8.451 -10.235 23.574 471 HD21 LEU 58 3HD2 LEU 58 7.381 -7.365 23.301 472 HD22 LEU 58 1HD2 LEU 58 7.800 -7.849 24.945 473 HD23 LEU 58 2HD2 LEU 58 6.174 -7.271 24.584 474 H LEU 59 H LEU 59 5.046 -9.969 20.457 475 HA LEU 59 HA LEU 59 7.643 -9.688 19.506 476 HB2 LEU 59 2HB LEU 59 5.139 -10.884 18.439 477 HB3 LEU 59 3HB LEU 59 6.499 -10.680 17.337 478 HG LEU 59 HG LEU 59 6.238 -12.946 18.458 479 HD11 LEU 59 1HD1 LEU 59 8.661 -11.295 18.190 480 HD12 LEU 59 2HD1 LEU 59 8.269 -12.865 17.489 481 HD13 LEU 59 3HD1 LEU 59 8.831 -12.759 19.158 482 HD21 LEU 59 3HD2 LEU 59 7.589 -11.701 20.813 483 HD22 LEU 59 1HD2 LEU 59 6.741 -13.242 20.689 484 HD23 LEU 59 2HD2 LEU 59 5.827 -11.734 20.727 485 H GLY 60 H GLY 60 4.627 -8.358 18.148 486 HA2 GLY 60 2HA GLY 60 5.701 -7.032 15.960 487 HA3 GLY 60 3HA GLY 60 4.259 -6.519 16.824 488 H LEU 61 H LEU 61 5.501 -5.959 19.320 489 HA LEU 61 HA LEU 61 6.279 -3.295 18.912 490 HB2 LEU 61 2HB LEU 61 5.431 -4.649 21.035 491 HB3 LEU 61 3HB LEU 61 7.160 -4.707 21.371 492 HG LEU 61 HG LEU 61 6.066 -2.871 22.555 493 HD11 LEU 61 1HD1 LEU 61 7.647 -1.200 22.050 494 HD12 LEU 61 2HD1 LEU 61 7.780 -1.721 20.371 495 HD13 LEU 61 3HD1 LEU 61 8.432 -2.731 21.661 496 HD21 LEU 61 3HD2 LEU 61 5.617 -1.044 20.435 497 HD22 LEU 61 1HD2 LEU 61 4.456 -1.685 21.598 498 HD23 LEU 61 2HD2 LEU 61 4.729 -2.525 20.071 499 H TYR 62 H TYR 62 8.220 -6.163 19.720 500 HA TYR 62 HA TYR 62 10.706 -4.823 19.755 501 HB2 TYR 62 2HB TYR 62 9.810 -7.658 19.672 502 HB3 TYR 62 3HB TYR 62 11.470 -7.325 19.192 503 HD1 TYR 62 HD1 TYR 62 12.509 -5.396 20.939 504 HD2 TYR 62 HD2 TYR 62 9.665 -8.431 21.833 505 HE1 TYR 62 HE1 TYR 62 13.181 -5.321 23.304 506 HE2 TYR 62 HE2 TYR 62 10.329 -8.364 24.200 507 HH TYR 62 HH TYR 62 13.087 -6.525 25.284 508 H LEU 63 H LEU 63 8.795 -6.236 17.198 509 HA LEU 63 HA LEU 63 10.832 -6.338 15.228 510 HB2 LEU 63 2HB LEU 63 8.792 -7.628 15.018 511 HB3 LEU 63 3HB LEU 63 7.836 -6.149 14.956 512 HG LEU 63 HG LEU 63 8.332 -7.456 12.771 513 HD11 LEU 63 1HD1 LEU 63 7.731 -4.811 13.362 514 HD12 LEU 63 2HD1 LEU 63 7.549 -5.616 11.804 515 HD13 LEU 63 3HD1 LEU 63 9.023 -4.717 12.165 516 HD21 LEU 63 3HD2 LEU 63 10.856 -7.379 13.400 517 HD22 LEU 63 1HD2 LEU 63 10.788 -5.755 12.714 518 HD23 LEU 63 2HD2 LEU 63 10.365 -7.150 11.721 519 H MET 64 H MET 64 8.148 -4.030 15.686 520 HA MET 64 HA MET 64 9.004 -2.214 13.717 521 HB2 MET 64 2HB MET 64 7.339 -0.766 14.512 522 HB3 MET 64 3HB MET 64 6.721 -2.372 14.877 523 HG2 MET 64 2HG MET 64 6.311 -1.440 16.879 524 HG3 MET 64 3HG MET 64 7.995 -1.869 17.171 525 HE1 MET 64 3HE MET 64 7.731 1.101 19.173 526 HE2 MET 64 1HE MET 64 6.168 1.417 18.418 527 HE3 MET 64 2HE MET 64 6.615 -0.230 18.862 528 H ASN 65 H ASN 65 9.881 -2.625 17.072 529 HA ASN 65 HA ASN 65 11.121 -0.104 17.441 530 HB2 ASN 65 2HB ASN 65 10.395 -1.732 19.253 531 HB3 ASN 65 3HB ASN 65 11.848 -2.656 18.881 532 HD21 ASN 65 1HD2 ASN 65 12.134 -2.130 21.233 533 HD22 ASN 65 2HD2 ASN 65 12.990 -0.678 21.610 534 H HIS 66 H HIS 66 12.434 -3.317 16.660 535 HA HIS 66 HA HIS 66 15.122 -2.511 16.450 536 HB2 HIS 66 2HB HIS 66 14.042 -4.898 16.549 537 HB3 HIS 66 3HB HIS 66 14.027 -4.756 14.794 538 HD1 HIS 66 HD1 HIS 66 16.557 -4.407 17.618 539 HD2 HIS 66 HD2 HIS 66 16.319 -5.614 13.649 540 HE1 HIS 66 HE1 HIS 66 18.848 -5.270 17.039 541 H VAL 67 H VAL 67 12.493 -2.614 14.110 542 HA VAL 67 HA VAL 67 14.039 -2.099 11.804 543 HB VAL 67 HB VAL 67 11.137 -1.442 12.325 544 HG11 VAL 67 1HG1 VAL 67 11.584 -0.196 10.449 545 HG12 VAL 67 2HG1 VAL 67 12.852 -1.289 9.892 546 HG13 VAL 67 3HG1 VAL 67 11.157 -1.744 9.721 547 HG21 VAL 67 3HG2 VAL 67 10.693 -3.607 12.086 548 HG22 VAL 67 1HG2 VAL 67 11.595 -3.664 10.571 549 HG23 VAL 67 2HG2 VAL 67 12.428 -3.927 12.104 550 H VAL 68 H VAL 68 12.147 0.076 13.893 551 HA VAL 68 HA VAL 68 12.738 2.457 12.539 552 HB VAL 68 HB VAL 68 12.121 2.043 15.467 553 HG11 VAL 68 1HG1 VAL 68 12.090 4.561 13.808 554 HG12 VAL 68 2HG1 VAL 68 11.465 4.419 15.452 555 HG13 VAL 68 3HG1 VAL 68 13.186 4.192 15.139 556 HG21 VAL 68 3HG2 VAL 68 10.101 3.194 13.676 557 HG22 VAL 68 1HG2 VAL 68 10.513 1.512 13.341 558 HG23 VAL 68 2HG2 VAL 68 9.936 1.977 14.941 559 H GLN 69 H GLN 69 14.383 0.863 15.246 560 HA GLN 69 HA GLN 69 16.269 2.819 15.823 561 HB2 GLN 69 2HB GLN 69 16.158 -0.142 16.153 562 HB3 GLN 69 3HB GLN 69 17.705 0.659 16.396 563 HG2 GLN 69 2HG GLN 69 16.834 1.988 18.161 564 HG3 GLN 69 3HG GLN 69 15.183 1.476 17.811 565 HE21 GLN 69 1HE2 GLN 69 14.709 0.569 19.744 566 HE22 GLN 69 2HE2 GLN 69 15.507 -0.825 20.380 567 H GLN 70 H GLN 70 16.265 0.348 13.318 568 HA GLN 70 HA GLN 70 18.952 0.853 12.474 569 HB2 GLN 70 2HB GLN 70 16.652 -0.648 11.232 570 HB3 GLN 70 3HB GLN 70 18.214 -0.489 10.440 571 HG2 GLN 70 2HG GLN 70 17.795 -1.702 13.161 572 HG3 GLN 70 3HG GLN 70 17.924 -2.617 11.660 573 HE21 GLN 70 1HE2 GLN 70 19.932 -2.091 10.361 574 HE22 GLN 70 2HE2 GLN 70 21.407 -1.951 11.250 575 H ALA 71 H ALA 71 15.805 2.112 11.667 576 HA ALA 71 HA ALA 71 16.205 3.227 9.183 577 HB1 ALA 71 1HB ALA 71 14.184 4.062 9.559 578 HB2 ALA 71 2HB ALA 71 14.289 3.445 11.208 579 HB3 ALA 71 3HB ALA 71 14.795 5.096 10.851 580 H LYS 72 H LYS 72 17.043 4.624 12.341 581 HA LYS 72 HA LYS 72 18.015 7.079 11.435 582 HB2 LYS 72 2HB LYS 72 19.045 5.507 13.802 583 HB3 LYS 72 3HB LYS 72 19.163 7.245 13.562 584 HG2 LYS 72 2HG LYS 72 16.674 7.352 13.616 585 HG3 LYS 72 3HG LYS 72 16.664 5.641 14.048 586 HD2 LYS 72 2HD LYS 72 16.470 6.976 16.050 587 HD3 LYS 72 3HD LYS 72 18.042 6.173 16.032 588 HE2 LYS 72 2HE LYS 72 19.167 8.161 15.472 589 HE3 LYS 72 3HE LYS 72 17.673 8.972 15.006 590 HZ1 LYS 72 3HZ LYS 72 17.889 8.051 17.767 591 HZ2 LYS 72 1HZ LYS 72 17.148 9.439 17.144 592 HZ3 LYS 72 2HZ LYS 72 18.828 9.387 17.327 593 H GLY 73 H GLY 73 19.609 3.942 11.736 594 HA2 GLY 73 2HA GLY 73 22.179 5.012 10.942 595 HA3 GLY 73 3HA GLY 73 21.796 3.323 11.242 596 H GLN 74 H GLN 74 19.425 4.331 9.256 597 HA GLN 74 HA GLN 74 20.950 3.615 6.838 598 HB2 GLN 74 2HB GLN 74 18.880 2.189 7.970 599 HB3 GLN 74 3HB GLN 74 18.067 3.127 6.724 600 HG2 GLN 74 2HG GLN 74 18.795 0.895 5.966 601 HG3 GLN 74 3HG GLN 74 19.483 2.217 5.025 602 HE21 GLN 74 1HE2 GLN 74 20.323 0.618 8.083 603 HE22 GLN 74 2HE2 GLN 74 21.967 0.298 7.660 604 H LYS 75 H LYS 75 20.180 6.263 8.087 605 HA LYS 75 HA LYS 75 19.484 8.324 7.420 606 HB2 LYS 75 2HB LYS 75 20.039 6.986 4.783 607 HB3 LYS 75 3HB LYS 75 19.473 8.649 4.862 608 HG2 LYS 75 2HG LYS 75 21.723 8.993 4.795 609 HG3 LYS 75 3HG LYS 75 21.480 8.906 6.542 610 HD2 LYS 75 2HD LYS 75 22.283 6.685 6.639 611 HD3 LYS 75 3HD LYS 75 22.189 6.495 4.886 612 HE2 LYS 75 2HE LYS 75 23.888 8.474 4.866 613 HE3 LYS 75 3HE LYS 75 24.190 7.985 6.532 614 HZ1 LYS 75 3HZ LYS 75 25.649 6.961 4.762 615 HZ2 LYS 75 1HZ LYS 75 24.298 6.060 4.289 616 HZ3 LYS 75 2HZ LYS 75 24.926 5.885 5.849 617 H ILE 76 H ILE 76 17.411 6.895 8.288 618 HA ILE 76 HA ILE 76 15.256 7.661 6.442 619 HB ILE 76 HB ILE 76 14.995 5.209 8.150 620 HG12 ILE 76 2HG1 ILE 76 16.100 5.350 5.337 621 HG13 ILE 76 3HG1 ILE 76 16.960 4.807 6.774 622 HG21 ILE 76 1HG2 ILE 76 13.232 4.644 6.633 623 HG22 ILE 76 2HG2 ILE 76 13.000 6.314 7.148 624 HG23 ILE 76 3HG2 ILE 76 13.669 5.968 5.554 625 HD11 ILE 76 3HD1 ILE 76 16.320 2.889 5.533 626 HD12 ILE 76 1HD1 ILE 76 15.298 2.958 6.969 627 HD13 ILE 76 2HD1 ILE 76 14.654 3.455 5.404 628 H ILE 77 H ILE 77 13.803 8.950 7.357 629 HA ILE 77 HA ILE 77 13.604 8.967 10.298 630 HB ILE 77 HB ILE 77 13.097 11.325 8.486 631 HG12 ILE 77 2HG1 ILE 77 15.467 10.690 8.403 632 HG13 ILE 77 3HG1 ILE 77 15.250 12.204 9.276 633 HG21 ILE 77 1HG2 ILE 77 11.901 11.709 10.432 634 HG22 ILE 77 2HG2 ILE 77 13.097 10.904 11.446 635 HG23 ILE 77 3HG2 ILE 77 13.443 12.495 10.769 636 HD11 ILE 77 3HD1 ILE 77 15.436 10.992 11.395 637 HD12 ILE 77 1HD1 ILE 77 15.693 9.493 10.502 638 HD13 ILE 77 2HD1 ILE 77 16.871 10.801 10.387 639 H GLN 78 H GLN 78 11.977 8.471 7.377 640 HA GLN 78 HA GLN 78 9.372 9.324 8.071 641 HB2 GLN 78 2HB GLN 78 10.381 7.286 6.091 642 HB3 GLN 78 3HB GLN 78 8.675 7.676 6.265 643 HG2 GLN 78 2HG GLN 78 9.490 8.942 4.448 644 HG3 GLN 78 3HG GLN 78 9.268 10.062 5.792 645 HE21 GLN 78 1HE2 GLN 78 11.853 7.807 4.887 646 HE22 GLN 78 2HE2 GLN 78 13.120 8.981 4.912 647 H PHE 79 H PHE 79 11.149 6.344 8.605 648 HA PHE 79 HA PHE 79 8.949 4.784 9.472 649 HB2 PHE 79 2HB PHE 79 11.868 4.521 9.388 650 HB3 PHE 79 3HB PHE 79 11.127 3.701 10.758 651 HD1 PHE 79 HD2 PHE 79 8.710 2.584 9.840 652 HD2 PHE 79 HD1 PHE 79 12.365 3.049 7.710 653 HE1 PHE 79 HE2 PHE 79 8.094 0.702 8.380 654 HE2 PHE 79 HE1 PHE 79 11.755 1.169 6.246 655 HZ PHE 79 HZ PHE 79 9.618 -0.008 6.580 656 H GLN 80 H GLN 80 11.259 6.855 11.151 657 HA GLN 80 HA GLN 80 10.476 6.179 13.778 658 HB2 GLN 80 2HB GLN 80 11.575 8.858 12.946 659 HB3 GLN 80 3HB GLN 80 11.763 8.040 14.492 660 HG2 GLN 80 2HG GLN 80 13.080 6.279 13.303 661 HG3 GLN 80 3HG GLN 80 13.025 7.300 11.866 662 HE21 GLN 80 1HE2 GLN 80 14.010 7.266 15.256 663 HE22 GLN 80 2HE2 GLN 80 15.332 8.362 15.069 664 H ASP 81 H ASP 81 9.457 8.763 11.578 665 HA ASP 81 HA ASP 81 7.625 9.918 13.448 666 HB2 ASP 81 2HB ASP 81 8.787 10.965 11.333 667 HB3 ASP 81 3HB ASP 81 7.375 10.331 10.494 668 H SER 82 H SER 82 7.436 7.496 10.936 669 HA SER 82 HA SER 82 4.589 7.422 10.788 670 HB2 SER 82 2HB SER 82 6.755 5.524 9.890 671 HB3 SER 82 3HB SER 82 5.042 5.160 9.679 672 HG SER 82 HG SER 82 6.364 7.471 8.691 673 H PHE 83 H PHE 83 6.979 5.249 12.292 674 HA PHE 83 HA PHE 83 4.951 3.735 13.645 675 HB2 PHE 83 2HB PHE 83 7.938 3.707 13.564 676 HB3 PHE 83 3HB PHE 83 7.121 2.886 14.890 677 HD1 PHE 83 HD2 PHE 83 4.872 1.592 13.792 678 HD2 PHE 83 HD1 PHE 83 8.681 2.215 12.000 679 HE1 PHE 83 HE2 PHE 83 4.511 -0.371 12.353 680 HE2 PHE 83 HE1 PHE 83 8.327 0.253 10.557 681 HZ PHE 83 HZ PHE 83 6.240 -1.043 10.733 682 H GLY 84 H GLY 84 6.729 6.594 14.302 683 HA2 GLY 84 2HA GLY 84 6.610 6.463 17.160 684 HA3 GLY 84 3HA GLY 84 6.984 7.885 16.197 685 H LYS 85 H LYS 85 4.623 8.000 14.668 686 HA LYS 85 HA LYS 85 2.923 9.370 16.483 687 HB2 LYS 85 2HB LYS 85 1.590 9.912 14.599 688 HB3 LYS 85 3HB LYS 85 3.252 9.888 14.023 689 HG2 LYS 85 2HG LYS 85 2.457 8.617 12.374 690 HG3 LYS 85 3HG LYS 85 2.466 7.317 13.568 691 HD2 LYS 85 2HD LYS 85 0.313 7.324 12.549 692 HD3 LYS 85 3HD LYS 85 0.122 7.989 14.173 693 HE2 LYS 85 2HE LYS 85 -1.094 9.495 12.936 694 HE3 LYS 85 3HE LYS 85 0.487 10.275 12.951 695 HZ1 LYS 85 3HZ LYS 85 0.106 10.361 10.745 696 HZ2 LYS 85 1HZ LYS 85 -0.954 9.043 10.745 697 HZ3 LYS 85 2HZ LYS 85 0.718 8.784 10.774 698 H VAL 86 H VAL 86 3.123 6.109 15.474 699 HA VAL 86 HA VAL 86 0.416 5.559 16.495 700 HB VAL 86 HB VAL 86 0.508 3.434 15.318 701 HG11 VAL 86 1HG1 VAL 86 1.398 5.522 13.353 702 HG12 VAL 86 2HG1 VAL 86 0.203 4.242 13.139 703 HG13 VAL 86 3HG1 VAL 86 -0.158 5.622 14.177 704 HG21 VAL 86 3HG2 VAL 86 2.530 3.312 13.613 705 HG22 VAL 86 1HG2 VAL 86 3.335 4.235 14.881 706 HG23 VAL 86 2HG2 VAL 86 2.652 2.650 15.243 707 H ALA 87 H ALA 87 3.604 5.494 17.399 708 HA ALA 87 HA ALA 87 3.695 3.018 18.821 709 HB1 ALA 87 1HB ALA 87 5.829 3.668 18.476 710 HB2 ALA 87 2HB ALA 87 5.430 5.386 18.531 711 HB3 ALA 87 3HB ALA 87 5.604 4.472 20.030 712 H ALA 88 H ALA 88 3.293 6.407 19.849 713 HA ALA 88 HA ALA 88 2.945 5.912 22.577 714 HB1 ALA 88 1HB ALA 88 2.349 8.126 22.778 715 HB2 ALA 88 2HB ALA 88 3.237 8.143 21.254 716 HB3 ALA 88 3HB ALA 88 1.473 8.142 21.247 717 H GLU 89 H GLU 89 0.717 5.664 19.899 718 HA GLU 89 HA GLU 89 -1.633 5.487 21.544 719 HB2 GLU 89 2HB GLU 89 -1.459 6.242 19.073 720 HB3 GLU 89 3HB GLU 89 -1.456 4.523 18.703 721 HG2 GLU 89 2HG GLU 89 -3.681 5.104 18.494 722 HG3 GLU 89 3HG GLU 89 -3.597 4.426 20.119 723 H VAL 90 H VAL 90 0.065 3.138 19.461 724 HA VAL 90 HA VAL 90 -1.361 0.881 20.290 725 HB VAL 90 HB VAL 90 1.485 1.041 19.288 726 HG11 VAL 90 1HG1 VAL 90 1.446 -1.089 20.113 727 HG12 VAL 90 2HG1 VAL 90 -0.302 -1.245 19.934 728 HG13 VAL 90 3HG1 VAL 90 0.745 -1.375 18.520 729 HG21 VAL 90 3HG2 VAL 90 -0.922 1.617 17.990 730 HG22 VAL 90 1HG2 VAL 90 0.658 1.358 17.249 731 HG23 VAL 90 2HG2 VAL 90 -0.462 0.007 17.434 732 H LEU 91 H LEU 91 1.870 1.967 21.347 733 HA LEU 91 HA LEU 91 2.362 0.058 23.269 734 HB2 LEU 91 2HB LEU 91 3.088 2.981 23.263 735 HB3 LEU 91 3HB LEU 91 3.752 1.805 24.395 736 HG LEU 91 HG LEU 91 4.049 1.324 21.465 737 HD11 LEU 91 1HD1 LEU 91 4.726 3.747 22.242 738 HD12 LEU 91 2HD1 LEU 91 5.753 2.812 21.157 739 HD13 LEU 91 3HD1 LEU 91 6.138 2.901 22.875 740 HD21 LEU 91 3HD2 LEU 91 6.095 0.237 22.189 741 HD22 LEU 91 1HD2 LEU 91 4.718 -0.381 23.102 742 HD23 LEU 91 2HD2 LEU 91 5.820 0.778 23.846 743 H GLY 92 H GLY 92 0.669 3.161 23.688 744 HA2 GLY 92 2HA GLY 92 0.157 2.893 26.439 745 HA3 GLY 92 3HA GLY 92 -0.760 3.896 25.325 746 H ARG 93 H ARG 93 -1.458 1.542 23.658 747 HA ARG 93 HA ARG 93 -3.825 0.794 25.120 748 HB2 ARG 93 2HB ARG 93 -2.829 0.476 22.336 749 HB3 ARG 93 3HB ARG 93 -4.019 -0.688 22.902 750 HG2 ARG 93 2HG ARG 93 -4.385 2.298 22.988 751 HG3 ARG 93 3HG ARG 93 -4.999 1.245 21.712 752 HD2 ARG 93 2HD ARG 93 -6.064 -0.053 23.725 753 HD3 ARG 93 3HD ARG 93 -5.857 1.486 24.560 754 HE ARG 93 HE ARG 93 -7.153 1.732 22.010 755 HH11 ARG 93 1HH1 ARG 93 -7.615 1.077 25.397 756 HH12 ARG 93 2HH1 ARG 93 -9.277 1.564 25.399 757 HH21 ARG 93 1HH2 ARG 93 -9.341 2.377 21.999 758 HH22 ARG 93 2HH2 ARG 93 -10.259 2.303 23.465 759 H ILE 94 H ILE 94 -1.118 -0.993 23.641 760 HA ILE 94 HA ILE 94 -1.867 -3.513 24.671 761 HB ILE 94 HB ILE 94 0.364 -4.265 24.064 762 HG12 ILE 94 2HG1 ILE 94 0.966 -1.337 23.590 763 HG13 ILE 94 3HG1 ILE 94 1.629 -2.325 24.888 764 HG21 ILE 94 1HG2 ILE 94 -1.537 -3.328 22.355 765 HG22 ILE 94 2HG2 ILE 94 -0.100 -2.472 21.796 766 HG23 ILE 94 3HG2 ILE 94 -0.103 -4.234 21.871 767 HD11 ILE 94 3HD1 ILE 94 3.351 -2.620 23.508 768 HD12 ILE 94 1HD1 ILE 94 2.303 -3.771 22.680 769 HD13 ILE 94 2HD1 ILE 94 2.428 -2.112 22.094 770 H ASN 95 H ASN 95 -0.090 -0.845 26.013 771 HA ASN 95 HA ASN 95 1.331 -2.144 28.038 772 HB2 ASN 95 2HB ASN 95 1.753 0.183 27.495 773 HB3 ASN 95 3HB ASN 95 0.125 0.630 27.998 774 HD21 ASN 95 1HD2 ASN 95 -0.192 1.215 30.036 775 HD22 ASN 95 2HD2 ASN 95 0.956 1.047 31.316 776 H GLN 96 H GLN 96 -2.026 -1.150 27.850 777 HA GLN 96 HA GLN 96 -2.536 -1.782 30.628 778 HB2 GLN 96 2HB GLN 96 -4.542 -1.164 28.457 779 HB3 GLN 96 3HB GLN 96 -4.803 -1.095 30.195 780 HG2 GLN 96 2HG GLN 96 -3.365 0.796 30.409 781 HG3 GLN 96 3HG GLN 96 -2.849 0.657 28.729 782 HE21 GLN 96 1HE2 GLN 96 -3.783 2.002 27.379 783 HE22 GLN 96 2HE2 GLN 96 -5.339 2.727 27.571 784 H GLU 97 H GLU 97 -3.243 -3.161 27.449 785 HA GLU 97 HA GLU 97 -4.802 -5.325 28.437 786 HB2 GLU 97 2HB GLU 97 -3.389 -4.857 25.814 787 HB3 GLU 97 3HB GLU 97 -4.334 -6.303 26.138 788 HG2 GLU 97 2HG GLU 97 -5.575 -3.626 26.545 789 HG3 GLU 97 3HG GLU 97 -5.400 -4.267 24.912 790 H PHE 98 H PHE 98 -1.471 -4.695 28.422 791 HA PHE 98 HA PHE 98 -0.631 -7.461 28.370 792 HB2 PHE 98 2HB PHE 98 0.735 -4.816 28.582 793 HB3 PHE 98 3HB PHE 98 1.587 -6.240 29.170 794 HD1 PHE 98 HD2 PHE 98 -0.750 -6.480 26.376 795 HD2 PHE 98 HD1 PHE 98 3.328 -6.015 27.505 796 HE1 PHE 98 HE2 PHE 98 -0.056 -7.009 24.076 797 HE2 PHE 98 HE1 PHE 98 4.028 -6.543 25.206 798 HZ PHE 98 HZ PHE 98 2.335 -7.042 23.488 799 HA PRO 99 HA PRO 99 -1.060 -8.274 32.672 800 HB2 PRO 99 2HB PRO 99 0.799 -10.235 32.936 801 HB3 PRO 99 3HB PRO 99 -0.755 -10.486 32.132 802 HG2 PRO 99 2HG PRO 99 1.936 -9.958 30.931 803 HG3 PRO 99 3HG PRO 99 0.692 -11.116 30.424 804 HD2 PRO 99 2HD PRO 99 1.054 -8.733 29.191 805 HD3 PRO 99 3HD PRO 99 -0.539 -9.505 29.328 806 H ARG 100 H ARG 100 0.232 -8.402 34.696 807 HA ARG 100 HA ARG 100 1.902 -6.173 34.987 808 HB2 ARG 100 2HB ARG 100 0.597 -7.218 36.823 809 HB3 ARG 100 3HB ARG 100 1.711 -8.578 36.808 810 HG2 ARG 100 2HG ARG 100 3.389 -7.398 37.803 811 HG3 ARG 100 3HG ARG 100 2.836 -5.853 37.155 812 HD2 ARG 100 2HD ARG 100 0.831 -6.099 38.695 813 HD3 ARG 100 3HD ARG 100 1.715 -7.414 39.467 814 HE ARG 100 HE ARG 100 2.224 -4.597 39.722 815 HH11 ARG 100 1HH1 ARG 100 3.598 -7.787 39.953 816 HH12 ARG 100 2HH1 ARG 100 4.854 -7.309 41.045 817 HH21 ARG 100 1HH2 ARG 100 3.874 -3.955 41.160 818 HH22 ARG 100 2HH2 ARG 100 5.010 -5.129 41.732 819 H ASP 101 H ASP 101 2.588 -9.401 34.012 820 HA ASP 101 HA ASP 101 5.372 -9.384 34.685 821 HB2 ASP 101 2HB ASP 101 3.562 -11.173 33.120 822 HB3 ASP 101 3HB ASP 101 5.302 -11.322 32.884 823 H LEU 102 H LEU 102 3.560 -9.011 31.644 824 HA LEU 102 HA LEU 102 5.845 -8.485 30.053 825 HB2 LEU 102 2HB LEU 102 2.922 -7.898 29.642 826 HB3 LEU 102 3HB LEU 102 4.156 -7.578 28.425 827 HG LEU 102 HG LEU 102 3.288 -10.259 29.494 828 HD11 LEU 102 1HD1 LEU 102 3.361 -9.736 26.615 829 HD12 LEU 102 2HD1 LEU 102 2.202 -8.749 27.505 830 HD13 LEU 102 3HD1 LEU 102 2.119 -10.508 27.601 831 HD21 LEU 102 3HD2 LEU 102 4.941 -11.018 27.633 832 HD22 LEU 102 1HD2 LEU 102 5.553 -10.613 29.237 833 HD23 LEU 102 2HD2 LEU 102 5.695 -9.449 27.919 834 H LYS 103 H LYS 103 3.837 -6.513 32.080 835 HA LYS 103 HA LYS 103 4.215 -3.980 31.061 836 HB2 LYS 103 2HB LYS 103 3.928 -5.023 33.858 837 HB3 LYS 103 3HB LYS 103 4.226 -3.311 33.586 838 HG2 LYS 103 2HG LYS 103 2.188 -3.754 31.860 839 HG3 LYS 103 3HG LYS 103 1.803 -4.904 33.143 840 HD2 LYS 103 2HD LYS 103 0.728 -3.010 33.895 841 HD3 LYS 103 3HD LYS 103 2.287 -2.868 34.711 842 HE2 LYS 103 2HE LYS 103 1.983 -1.641 32.018 843 HE3 LYS 103 3HE LYS 103 1.216 -0.843 33.390 844 HZ1 LYS 103 3HZ LYS 103 3.240 0.124 33.510 845 HZ2 LYS 103 1HZ LYS 103 4.047 -1.170 32.776 846 HZ3 LYS 103 2HZ LYS 103 3.610 -1.261 34.408 847 H LYS 104 H LYS 104 6.403 -5.885 33.081 848 HA LYS 104 HA LYS 104 8.343 -3.852 33.436 849 HB2 LYS 104 2HB LYS 104 8.245 -6.803 33.829 850 HB3 LYS 104 3HB LYS 104 9.828 -6.038 33.769 851 HG2 LYS 104 2HG LYS 104 9.228 -6.145 36.043 852 HG3 LYS 104 3HG LYS 104 9.004 -4.463 35.556 853 HD2 LYS 104 2HD LYS 104 6.693 -4.624 35.604 854 HD3 LYS 104 3HD LYS 104 6.710 -6.379 35.422 855 HE2 LYS 104 2HE LYS 104 7.451 -6.671 37.677 856 HE3 LYS 104 3HE LYS 104 7.713 -4.938 37.871 857 HZ1 LYS 104 3HZ LYS 104 5.027 -5.896 37.177 858 HZ2 LYS 104 1HZ LYS 104 5.487 -4.527 38.059 859 HZ3 LYS 104 2HZ LYS 104 5.560 -6.058 38.774 860 H LYS 105 H LYS 105 7.849 -6.323 30.988 861 HA LYS 105 HA LYS 105 10.354 -6.008 29.692 862 HB2 LYS 105 2HB LYS 105 7.789 -6.952 28.412 863 HB3 LYS 105 3HB LYS 105 9.436 -7.341 27.930 864 HG2 LYS 105 2HG LYS 105 8.138 -8.189 30.512 865 HG3 LYS 105 3HG LYS 105 8.323 -9.200 29.077 866 HD2 LYS 105 2HD LYS 105 10.209 -9.864 30.132 867 HD3 LYS 105 3HD LYS 105 10.870 -8.394 29.411 868 HE2 LYS 105 2HE LYS 105 10.791 -7.226 31.403 869 HE3 LYS 105 3HE LYS 105 9.538 -8.264 32.082 870 HZ1 LYS 105 3HZ LYS 105 12.269 -8.435 32.496 871 HZ2 LYS 105 1HZ LYS 105 11.863 -9.777 31.549 872 HZ3 LYS 105 2HZ LYS 105 11.081 -9.516 33.026 873 H LEU 106 H LEU 106 7.231 -4.438 29.367 874 HA LEU 106 HA LEU 106 7.983 -2.993 26.989 875 HB2 LEU 106 2HB LEU 106 5.712 -3.382 27.058 876 HB3 LEU 106 3HB LEU 106 5.605 -3.060 28.788 877 HG LEU 106 HG LEU 106 5.733 -0.687 28.406 878 HD11 LEU 106 1HD1 LEU 106 5.493 -0.319 25.674 879 HD12 LEU 106 2HD1 LEU 106 6.772 -1.521 25.835 880 HD13 LEU 106 3HD1 LEU 106 6.912 0.030 26.662 881 HD21 LEU 106 3HD2 LEU 106 3.798 -1.213 26.299 882 HD22 LEU 106 1HD2 LEU 106 3.562 -0.549 27.916 883 HD23 LEU 106 2HD2 LEU 106 3.619 -2.296 27.680 884 H SER 107 H SER 107 7.655 -2.292 30.438 885 HA SER 107 HA SER 107 8.006 0.449 30.423 886 HB2 SER 107 2HB SER 107 7.459 -0.735 32.466 887 HB3 SER 107 3HB SER 107 9.006 -1.581 32.435 888 HG SER 107 HG SER 107 9.412 0.068 33.761 889 H ARG 108 H ARG 108 10.372 -2.093 30.003 890 HA ARG 108 HA ARG 108 12.619 -0.279 30.173 891 HB2 ARG 108 2HB ARG 108 13.988 -2.228 29.706 892 HB3 ARG 108 3HB ARG 108 12.805 -2.616 30.948 893 HG2 ARG 108 2HG ARG 108 11.544 -3.941 29.504 894 HG3 ARG 108 3HG ARG 108 12.291 -3.243 28.066 895 HD2 ARG 108 2HD ARG 108 13.835 -4.846 30.089 896 HD3 ARG 108 3HD ARG 108 13.026 -5.586 28.708 897 HE ARG 108 HE ARG 108 14.593 -3.559 27.684 898 HH11 ARG 108 1HH1 ARG 108 15.083 -6.484 29.507 899 HH12 ARG 108 2HH1 ARG 108 16.665 -6.774 28.865 900 HH21 ARG 108 1HH2 ARG 108 16.676 -3.930 26.831 901 HH22 ARG 108 2HH2 ARG 108 17.571 -5.321 27.343 902 H VAL 109 H VAL 109 10.558 -1.620 27.729 903 HA VAL 109 HA VAL 109 12.287 -1.162 25.508 904 HB VAL 109 HB VAL 109 9.298 -1.553 25.654 905 HG11 VAL 109 1HG1 VAL 109 11.043 -0.812 23.409 906 HG12 VAL 109 2HG1 VAL 109 9.960 -2.171 23.100 907 HG13 VAL 109 3HG1 VAL 109 9.302 -0.615 23.610 908 HG21 VAL 109 3HG2 VAL 109 11.365 -3.352 26.002 909 HG22 VAL 109 1HG2 VAL 109 9.696 -3.748 25.592 910 HG23 VAL 109 2HG2 VAL 109 10.901 -3.575 24.315 911 H VAL 110 H VAL 110 9.765 0.703 27.112 912 HA VAL 110 HA VAL 110 9.627 2.780 25.183 913 HB VAL 110 HB VAL 110 7.805 2.465 26.741 914 HG11 VAL 110 1HG1 VAL 110 8.061 3.012 29.131 915 HG12 VAL 110 2HG1 VAL 110 9.036 1.622 28.650 916 HG13 VAL 110 3HG1 VAL 110 9.798 3.196 28.885 917 HG21 VAL 110 3HG2 VAL 110 8.789 5.060 27.733 918 HG22 VAL 110 1HG2 VAL 110 8.795 4.857 25.981 919 HG23 VAL 110 2HG2 VAL 110 7.294 4.659 26.886 920 H ASN 111 H ASN 111 11.615 2.224 28.021 921 HA ASN 111 HA ASN 111 12.687 4.837 28.220 922 HB2 ASN 111 2HB ASN 111 13.696 2.155 29.177 923 HB3 ASN 111 3HB ASN 111 14.517 3.672 29.532 924 HD21 ASN 111 1HD2 ASN 111 13.521 1.946 31.484 925 HD22 ASN 111 2HD2 ASN 111 12.239 2.746 32.321 926 H ILE 112 H ILE 112 13.190 2.334 25.985 927 HA ILE 112 HA ILE 112 15.907 2.914 25.308 928 HB ILE 112 HB ILE 112 13.758 1.431 23.794 929 HG12 ILE 112 2HG1 ILE 112 16.219 0.312 25.129 930 HG13 ILE 112 3HG1 ILE 112 14.699 0.513 25.994 931 HG21 ILE 112 1HG2 ILE 112 16.226 0.625 22.823 932 HG22 ILE 112 2HG2 ILE 112 15.050 1.645 21.995 933 HG23 ILE 112 3HG2 ILE 112 16.352 2.381 22.931 934 HD11 ILE 112 3HD1 ILE 112 14.395 -1.612 25.328 935 HD12 ILE 112 1HD1 ILE 112 13.815 -0.831 23.858 936 HD13 ILE 112 2HD1 ILE 112 15.466 -1.447 23.937 937 H LEU 113 H LEU 113 12.756 3.802 23.948 938 HA LEU 113 HA LEU 113 13.658 5.179 21.696 939 HB2 LEU 113 2HB LEU 113 11.224 5.679 23.402 940 HB3 LEU 113 3HB LEU 113 11.496 6.386 21.811 941 HG LEU 113 HG LEU 113 10.087 4.647 21.302 942 HD11 LEU 113 1HD1 LEU 113 12.777 3.294 21.194 943 HD12 LEU 113 2HD1 LEU 113 12.189 4.466 20.016 944 HD13 LEU 113 3HD1 LEU 113 11.362 2.920 20.210 945 HD21 LEU 113 3HD2 LEU 113 11.219 2.394 22.691 946 HD22 LEU 113 1HD2 LEU 113 9.578 3.039 22.747 947 HD23 LEU 113 2HD2 LEU 113 10.817 3.687 23.822 948 H LYS 114 H LYS 114 13.179 6.281 25.019 949 HA LYS 114 HA LYS 114 13.809 9.012 24.457 950 HB2 LYS 114 2HB LYS 114 13.795 9.316 26.865 951 HB3 LYS 114 3HB LYS 114 12.420 8.332 26.382 952 HG2 LYS 114 2HG LYS 114 13.475 6.342 27.167 953 HG3 LYS 114 3HG LYS 114 14.995 7.195 27.444 954 HD2 LYS 114 2HD LYS 114 13.879 6.887 29.553 955 HD3 LYS 114 3HD LYS 114 13.838 8.601 29.132 956 HE2 LYS 114 2HE LYS 114 11.573 8.556 28.641 957 HE3 LYS 114 3HE LYS 114 11.562 6.813 28.378 958 HZ1 LYS 114 3HZ LYS 114 11.641 6.405 30.670 959 HZ2 LYS 114 1HZ LYS 114 10.506 7.648 30.497 960 HZ3 LYS 114 2HZ LYS 114 12.068 7.999 31.042 961 H GLU 115 H GLU 115 15.630 6.176 25.369 962 HA GLU 115 HA GLU 115 18.002 7.558 26.144 963 HB2 GLU 115 2HB GLU 115 17.337 4.709 25.490 964 HB3 GLU 115 3HB GLU 115 19.015 5.200 25.669 965 HG2 GLU 115 2HG GLU 115 17.013 5.836 27.793 966 HG3 GLU 115 3HG GLU 115 17.756 4.240 27.702 967 H ARG 116 H ARG 116 17.078 5.775 23.203 968 HA ARG 116 HA ARG 116 19.454 6.657 21.814 969 HB2 ARG 116 2HB ARG 116 17.072 5.278 20.586 970 HB3 ARG 116 3HB ARG 116 18.735 5.285 20.015 971 HG2 ARG 116 2HG ARG 116 17.691 3.912 22.482 972 HG3 ARG 116 3HG ARG 116 18.207 3.144 20.980 973 HD2 ARG 116 2HD ARG 116 20.474 4.164 21.364 974 HD3 ARG 116 3HD ARG 116 19.906 4.644 22.963 975 HE ARG 116 HE ARG 116 19.431 1.918 22.697 976 HH11 ARG 116 1HH1 ARG 116 22.148 4.092 22.796 977 HH12 ARG 116 2HH1 ARG 116 23.227 2.921 23.479 978 HH21 ARG 116 1HH2 ARG 116 20.842 0.367 23.596 979 HH22 ARG 116 2HH2 ARG 116 22.483 0.802 23.932 980 H ASN 117 H ASN 117 16.485 8.013 22.494 981 HA ASN 117 HA ASN 117 15.388 9.862 21.754 982 HB2 ASN 117 2HB ASN 117 17.892 10.390 20.140 983 HB3 ASN 117 3HB ASN 117 16.659 11.567 20.582 984 HD21 ASN 117 1HD2 ASN 117 19.662 10.666 21.263 985 HD22 ASN 117 2HD2 ASN 117 19.759 11.094 22.934 986 H ILE 118 H ILE 118 14.968 7.410 20.390 987 HA ILE 118 HA ILE 118 15.057 7.462 17.635 988 HB ILE 118 HB ILE 118 12.827 6.352 19.344 989 HG12 ILE 118 2HG1 ILE 118 15.121 5.516 19.881 990 HG13 ILE 118 3HG1 ILE 118 14.035 4.264 19.289 991 HG21 ILE 118 1HG2 ILE 118 13.615 5.717 16.503 992 HG22 ILE 118 2HG2 ILE 118 12.384 4.872 17.441 993 HG23 ILE 118 3HG2 ILE 118 12.158 6.569 17.015 994 HD11 ILE 118 3HD1 ILE 118 16.400 4.247 18.402 995 HD12 ILE 118 1HD1 ILE 118 15.107 4.177 17.205 996 HD13 ILE 118 2HD1 ILE 118 15.963 5.693 17.492 997 H PHE 119 H PHE 119 12.031 8.125 19.389 998 HA PHE 119 HA PHE 119 11.098 9.753 17.185 999 HB2 PHE 119 2HB PHE 119 9.682 9.272 19.806 1000 HB3 PHE 119 3HB PHE 119 8.972 9.733 18.262 1001 HD1 PHE 119 HD2 PHE 119 9.902 7.925 16.331 1002 HD2 PHE 119 HD1 PHE 119 9.058 7.166 20.433 1003 HE1 PHE 119 HE2 PHE 119 9.504 5.554 15.806 1004 HE2 PHE 119 HE1 PHE 119 8.659 4.794 19.915 1005 HZ PHE 119 HZ PHE 119 8.881 3.985 17.600 1006 H SER 120 H SER 120 10.058 11.880 17.644 1007 HA SER 120 HA SER 120 11.942 13.600 18.930 1008 HB2 SER 120 2HB SER 120 9.411 13.968 17.392 1009 HB3 SER 120 3HB SER 120 9.968 15.301 18.404 1010 HG SER 120 HG SER 120 11.058 14.253 16.080 1011 H LYS 121 H LYS 121 10.899 15.472 20.323 1012 HA LYS 121 HA LYS 121 10.229 14.343 22.809 1013 HB2 LYS 121 2HB LYS 121 11.322 16.593 22.371 1014 HB3 LYS 121 3HB LYS 121 9.716 17.203 21.994 1015 HG2 LYS 121 2HG LYS 121 10.035 17.798 24.216 1016 HG3 LYS 121 3HG LYS 121 9.050 16.336 24.310 1017 HD2 LYS 121 2HD LYS 121 10.754 16.098 25.939 1018 HD3 LYS 121 3HD LYS 121 11.208 15.051 24.593 1019 HE2 LYS 121 2HE LYS 121 12.923 16.454 23.914 1020 HE3 LYS 121 3HE LYS 121 12.228 17.859 24.721 1021 HZ1 LYS 121 3HZ LYS 121 13.972 17.313 26.094 1022 HZ2 LYS 121 1HZ LYS 121 13.789 15.646 25.871 1023 HZ3 LYS 121 2HZ LYS 121 12.699 16.493 26.848 1024 H GLN 122 H GLN 122 8.248 15.945 20.348 1025 HA GLN 122 HA GLN 122 5.835 16.018 21.744 1026 HB2 GLN 122 2HB GLN 122 6.598 16.020 18.864 1027 HB3 GLN 122 3HB GLN 122 4.910 15.738 19.267 1028 HG2 GLN 122 2HG GLN 122 5.128 17.862 20.706 1029 HG3 GLN 122 3HG GLN 122 6.583 18.166 19.758 1030 HE21 GLN 122 1HE2 GLN 122 3.122 17.552 19.504 1031 HE22 GLN 122 2HE2 GLN 122 2.890 18.427 18.032 1032 H VAL 123 H VAL 123 7.296 13.442 19.828 1033 HA VAL 123 HA VAL 123 5.036 11.701 19.974 1034 HB VAL 123 HB VAL 123 7.903 10.925 19.436 1035 HG11 VAL 123 1HG1 VAL 123 5.319 9.539 19.339 1036 HG12 VAL 123 2HG1 VAL 123 6.326 9.325 17.906 1037 HG13 VAL 123 3HG1 VAL 123 6.951 8.891 19.498 1038 HG21 VAL 123 3HG2 VAL 123 5.790 11.969 17.557 1039 HG22 VAL 123 1HG2 VAL 123 7.361 12.687 17.913 1040 HG23 VAL 123 2HG2 VAL 123 7.268 11.164 17.030 1041 H VAL 124 H VAL 124 8.224 11.658 21.573 1042 HA VAL 124 HA VAL 124 7.791 9.476 23.238 1043 HB VAL 124 HB VAL 124 9.451 11.934 23.817 1044 HG11 VAL 124 1HG1 VAL 124 8.855 9.629 25.415 1045 HG12 VAL 124 2HG1 VAL 124 10.571 9.650 25.004 1046 HG13 VAL 124 3HG1 VAL 124 9.839 11.037 25.811 1047 HG21 VAL 124 3HG2 VAL 124 9.875 10.531 21.692 1048 HG22 VAL 124 1HG2 VAL 124 11.239 10.901 22.746 1049 HG23 VAL 124 2HG2 VAL 124 10.485 9.308 22.807 1050 H ASN 125 H ASN 125 7.246 12.928 23.919 1051 HA ASN 125 HA ASN 125 6.338 12.682 26.534 1052 HB2 ASN 125 2HB ASN 125 5.874 14.688 24.359 1053 HB3 ASN 125 3HB ASN 125 4.954 14.811 25.856 1054 HD21 ASN 125 1HD2 ASN 125 8.296 13.806 25.290 1055 HD22 ASN 125 2HD2 ASN 125 9.015 15.030 26.275 1056 H ASP 126 H ASP 126 4.762 11.932 23.544 1057 HA ASP 126 HA ASP 126 2.091 11.932 24.570 1058 HB2 ASP 126 2HB ASP 126 2.972 12.066 22.091 1059 HB3 ASP 126 3HB ASP 126 2.885 10.309 22.185 1060 H ILE 127 H ILE 127 4.611 9.510 24.132 1061 HA ILE 127 HA ILE 127 3.086 7.220 24.660 1062 HB ILE 127 HB ILE 127 6.004 7.697 25.278 1063 HG12 ILE 127 2HG1 ILE 127 4.895 6.237 22.894 1064 HG13 ILE 127 3HG1 ILE 127 5.111 7.983 22.865 1065 HG21 ILE 127 1HG2 ILE 127 5.278 5.787 26.496 1066 HG22 ILE 127 2HG2 ILE 127 4.374 5.172 25.113 1067 HG23 ILE 127 3HG2 ILE 127 6.137 5.200 25.073 1068 HD11 ILE 127 3HD1 ILE 127 7.033 5.910 22.456 1069 HD12 ILE 127 1HD1 ILE 127 7.203 7.652 22.244 1070 HD13 ILE 127 2HD1 ILE 127 7.520 6.919 23.817 1071 H GLU 128 H GLU 128 5.061 9.195 26.872 1072 HA GLU 128 HA GLU 128 4.594 7.787 29.212 1073 HB2 GLU 128 2HB GLU 128 4.897 10.781 28.916 1074 HB3 GLU 128 3HB GLU 128 5.129 9.865 30.399 1075 HG2 GLU 128 2HG GLU 128 6.911 8.575 29.058 1076 HG3 GLU 128 3HG GLU 128 6.834 9.940 27.946 1077 H ARG 129 H ARG 129 2.707 10.450 27.813 1078 HA ARG 129 HA ARG 129 0.808 10.674 29.853 1079 HB2 ARG 129 2HB ARG 129 0.516 11.202 26.891 1080 HB3 ARG 129 3HB ARG 129 -0.636 11.714 28.117 1081 HG2 ARG 129 2HG ARG 129 2.218 12.527 28.376 1082 HG3 ARG 129 3HG ARG 129 1.177 13.361 27.220 1083 HD2 ARG 129 2HD ARG 129 0.992 14.628 29.174 1084 HD3 ARG 129 3HD ARG 129 -0.458 13.625 29.171 1085 HE ARG 129 HE ARG 129 1.739 12.474 30.622 1086 HH11 ARG 129 1HH1 ARG 129 -0.989 14.630 30.792 1087 HH12 ARG 129 2HH1 ARG 129 -1.175 14.469 32.507 1088 HH21 ARG 129 1HH2 ARG 129 1.505 12.255 32.880 1089 HH22 ARG 129 2HH2 ARG 129 0.245 13.119 33.694 1090 H SER 130 H SER 130 0.857 8.637 26.959 1091 HA SER 130 HA SER 130 -1.697 7.585 27.061 1092 HB2 SER 130 2HB SER 130 -0.961 5.976 25.567 1093 HB3 SER 130 3HB SER 130 0.301 7.194 25.385 1094 HG SER 130 HG SER 130 1.673 5.774 26.073 1095 H LEU 131 H LEU 131 1.184 6.598 28.849 1096 HA LEU 131 HA LEU 131 -0.180 4.408 30.142 1097 HB2 LEU 131 2HB LEU 131 2.430 5.548 31.056 1098 HB3 LEU 131 3HB LEU 131 1.857 3.882 31.130 1099 HG LEU 131 HG LEU 131 2.842 5.363 28.695 1100 HD11 LEU 131 1HD1 LEU 131 4.430 4.360 30.477 1101 HD12 LEU 131 2HD1 LEU 131 4.716 4.010 28.773 1102 HD13 LEU 131 3HD1 LEU 131 3.934 2.808 29.801 1103 HD21 LEU 131 3HD2 LEU 131 0.947 3.940 28.106 1104 HD22 LEU 131 1HD2 LEU 131 1.718 2.572 28.908 1105 HD23 LEU 131 2HD2 LEU 131 2.458 3.284 27.474 1106 H ALA 132 H ALA 132 0.653 7.727 30.864 1107 HA ALA 132 HA ALA 132 0.157 7.640 33.651 1108 HB1 ALA 132 1HB ALA 132 0.615 9.858 33.643 1109 HB2 ALA 132 2HB ALA 132 1.263 9.471 32.049 1110 HB3 ALA 132 3HB ALA 132 -0.350 10.166 32.200 1111 H ALA 133 H ALA 133 -1.901 8.018 30.856 1112 HA ALA 133 HA ALA 133 -4.186 8.969 32.290 1113 HB1 ALA 133 1HB ALA 133 -5.318 8.084 30.078 1114 HB2 ALA 133 2HB ALA 133 -4.350 9.559 30.090 1115 HB3 ALA 133 3HB ALA 133 -3.647 8.047 29.516 1116 H ALA 134 H ALA 134 -2.898 5.833 31.458 1117 HA ALA 134 HA ALA 134 -5.326 4.458 32.281 1118 HB1 ALA 134 1HB ALA 134 -4.419 2.528 31.386 1119 HB2 ALA 134 2HB ALA 134 -3.733 3.780 30.350 1120 HB3 ALA 134 3HB ALA 134 -2.759 3.068 31.635 1121 H LEU 135 H LEU 135 -2.290 5.421 33.598 1122 HA LEU 135 HA LEU 135 -2.007 3.501 35.636 1123 HB2 LEU 135 2HB LEU 135 -0.978 6.245 35.144 1124 HB3 LEU 135 3HB LEU 135 -0.821 5.581 36.769 1125 HG LEU 135 HG LEU 135 0.235 4.189 34.316 1126 HD11 LEU 135 1HD1 LEU 135 1.377 6.396 35.929 1127 HD12 LEU 135 2HD1 LEU 135 1.604 5.997 34.226 1128 HD13 LEU 135 3HD1 LEU 135 2.456 5.079 35.468 1129 HD21 LEU 135 3HD2 LEU 135 1.702 3.141 36.102 1130 HD22 LEU 135 1HD2 LEU 135 0.004 2.665 36.097 1131 HD23 LEU 135 2HD2 LEU 135 0.588 3.835 37.281 1132 H GLU 136 H GLU 136 -4.056 6.277 35.318 1133 HA GLU 136 HA GLU 136 -4.628 6.758 38.027 1134 HB2 GLU 136 2HB GLU 136 -6.030 7.329 35.448 1135 HB3 GLU 136 3HB GLU 136 -6.893 7.577 36.960 1136 HG2 GLU 136 2HG GLU 136 -4.317 8.886 36.123 1137 HG3 GLU 136 3HG GLU 136 -5.904 9.644 36.236 1138 H HIS 137 H HIS 137 -6.491 4.893 35.624 1139 HA HIS 137 HA HIS 137 -8.435 3.917 37.364 1140 HB2 HIS 137 2HB HIS 137 -7.290 2.709 34.841 1141 HB3 HIS 137 3HB HIS 137 -8.707 2.073 35.672 1142 HD1 HIS 137 HD1 HIS 137 -9.493 2.763 33.029 1143 HD2 HIS 137 HD2 HIS 137 -9.112 5.753 35.888 1144 HE1 HIS 137 HE1 HIS 137 -10.855 4.693 32.168 1145 H HIS 138 H HIS 138 -8.713 1.778 38.257 1146 HA HIS 138 HA HIS 138 -6.163 0.648 39.188 1147 HB2 HIS 138 2HB HIS 138 -7.900 1.597 40.837 1148 HB3 HIS 138 3HB HIS 138 -8.842 0.155 40.470 1149 HD1 HIS 138 HD1 HIS 138 -6.853 1.251 43.042 1150 HD2 HIS 138 HD2 HIS 138 -6.730 -2.192 40.720 1151 HE1 HIS 138 HE1 HIS 138 -5.571 -0.432 44.402 Start of MODEL 7 1 H ALA 2 H ALA 2 1.585 0.510 -3.299 2 HA ALA 2 HA ALA 2 2.690 0.198 -0.615 3 HB1 ALA 2 1HB ALA 2 0.526 -1.446 -0.684 4 HB2 ALA 2 2HB ALA 2 0.483 0.255 -0.217 5 HB3 ALA 2 3HB ALA 2 0.071 -0.217 -1.865 6 H PHE 3 H PHE 3 3.196 -1.854 0.275 7 HA PHE 3 HA PHE 3 4.189 -3.744 -1.731 8 HB2 PHE 3 2HB PHE 3 5.541 -2.682 0.300 9 HB3 PHE 3 3HB PHE 3 4.832 -4.042 1.165 10 HD1 PHE 3 HD1 PHE 3 6.391 -3.523 -2.190 11 HD2 PHE 3 HD2 PHE 3 6.248 -5.821 1.390 12 HE1 PHE 3 HE1 PHE 3 8.155 -4.996 -3.068 13 HE2 PHE 3 HE2 PHE 3 8.012 -7.297 0.518 14 HZ PHE 3 HZ PHE 3 8.969 -6.885 -1.714 15 H SER 4 H SER 4 4.227 -6.105 -0.834 16 HA SER 4 HA SER 4 1.545 -6.973 -0.692 17 HB2 SER 4 2HB SER 4 2.889 -8.585 -1.644 18 HB3 SER 4 3HB SER 4 4.218 -8.293 -0.523 19 HG SER 4 HG SER 4 2.016 -9.956 -0.278 20 H SER 5 H SER 5 0.517 -6.085 1.082 21 HA SER 5 HA SER 5 1.467 -5.989 3.696 22 HB2 SER 5 2HB SER 5 -1.446 -6.430 3.088 23 HB3 SER 5 3HB SER 5 -0.717 -5.428 4.343 24 HG SER 5 HG SER 5 -1.615 -4.424 2.289 25 H GLU 6 H GLU 6 0.226 -8.644 1.866 26 HA GLU 6 HA GLU 6 -0.616 -10.333 3.944 27 HB2 GLU 6 2HB GLU 6 -1.021 -10.667 1.482 28 HB3 GLU 6 3HB GLU 6 0.648 -11.202 1.342 29 HG2 GLU 6 2HG GLU 6 0.213 -13.054 2.837 30 HG3 GLU 6 3HG GLU 6 -1.442 -12.498 3.077 31 H GLN 7 H GLN 7 2.558 -9.710 2.569 32 HA GLN 7 HA GLN 7 3.915 -11.844 3.835 33 HB2 GLN 7 2HB GLN 7 4.683 -9.357 2.418 34 HB3 GLN 7 3HB GLN 7 5.883 -10.036 3.509 35 HG2 GLN 7 2HG GLN 7 4.543 -11.795 1.508 36 HG3 GLN 7 3HG GLN 7 5.849 -10.722 1.004 37 HE21 GLN 7 1HE2 GLN 7 5.985 -13.504 0.848 38 HE22 GLN 7 2HE2 GLN 7 7.206 -14.057 1.937 39 H PHE 8 H PHE 8 3.688 -8.388 4.671 40 HA PHE 8 HA PHE 8 5.150 -8.497 7.043 41 HB2 PHE 8 2HB PHE 8 4.466 -6.406 5.879 42 HB3 PHE 8 3HB PHE 8 2.817 -6.670 6.437 43 HD1 PHE 8 HD1 PHE 8 6.117 -6.963 8.147 44 HD2 PHE 8 HD2 PHE 8 2.303 -5.078 8.011 45 HE1 PHE 8 HE1 PHE 8 6.637 -5.768 10.234 46 HE2 PHE 8 HE2 PHE 8 2.818 -3.879 10.097 47 HZ PHE 8 HZ PHE 8 4.987 -4.223 11.211 48 H THR 9 H THR 9 1.710 -9.031 6.446 49 HA THR 9 HA THR 9 0.993 -9.308 9.187 50 HB THR 9 HB THR 9 -0.494 -10.467 6.828 51 HG1 THR 9 HG1 THR 9 -0.173 -7.828 7.697 52 HG21 THR 9 3HG2 THR 9 -1.026 -10.178 9.678 53 HG22 THR 9 1HG2 THR 9 -1.843 -11.172 8.472 54 HG23 THR 9 2HG2 THR 9 -2.294 -9.479 8.672 55 H THR 10 H THR 10 1.491 -11.687 6.582 56 HA THR 10 HA THR 10 1.059 -13.992 8.080 57 HB THR 10 HB THR 10 2.935 -13.613 5.739 58 HG1 THR 10 HG1 THR 10 0.185 -14.262 5.982 59 HG21 THR 10 3HG2 THR 10 2.404 -16.119 5.458 60 HG22 THR 10 1HG2 THR 10 1.944 -16.065 7.160 61 HG23 THR 10 2HG2 THR 10 3.590 -15.652 6.677 62 H LYS 11 H LYS 11 3.911 -11.973 7.788 63 HA LYS 11 HA LYS 11 5.663 -13.805 9.125 64 HB2 LYS 11 2HB LYS 11 5.864 -10.918 8.310 65 HB3 LYS 11 3HB LYS 11 7.101 -11.661 9.316 66 HG2 LYS 11 2HG LYS 11 6.312 -13.014 6.787 67 HG3 LYS 11 3HG LYS 11 7.339 -11.580 6.708 68 HD2 LYS 11 2HD LYS 11 8.915 -13.253 6.852 69 HD3 LYS 11 3HD LYS 11 8.713 -12.827 8.553 70 HE2 LYS 11 2HE LYS 11 7.561 -14.756 9.037 71 HE3 LYS 11 3HE LYS 11 6.980 -14.951 7.385 72 HZ1 LYS 11 3HZ LYS 11 9.224 -16.125 8.593 73 HZ2 LYS 11 1HZ LYS 11 9.761 -15.133 7.332 74 HZ3 LYS 11 2HZ LYS 11 8.633 -16.356 7.025 75 H LEU 12 H LEU 12 3.998 -10.808 10.067 76 HA LEU 12 HA LEU 12 4.932 -10.661 12.692 77 HB2 LEU 12 2HB LEU 12 2.433 -9.698 11.348 78 HB3 LEU 12 3HB LEU 12 2.683 -9.457 13.076 79 HG LEU 12 HG LEU 12 4.631 -8.471 11.006 80 HD11 LEU 12 1HD1 LEU 12 3.026 -7.059 10.350 81 HD12 LEU 12 2HD1 LEU 12 3.314 -6.254 11.892 82 HD13 LEU 12 3HD1 LEU 12 2.002 -7.423 11.739 83 HD21 LEU 12 3HD2 LEU 12 5.796 -7.691 12.733 84 HD22 LEU 12 1HD2 LEU 12 4.765 -8.677 13.771 85 HD23 LEU 12 2HD2 LEU 12 4.358 -6.987 13.474 86 H ASN 13 H ASN 13 2.199 -12.422 11.322 87 HA ASN 13 HA ASN 13 1.156 -13.293 13.827 88 HB2 ASN 13 2HB ASN 13 0.682 -14.006 10.960 89 HB3 ASN 13 3HB ASN 13 0.063 -15.072 12.218 90 HD21 ASN 13 1HD2 ASN 13 -0.871 -12.767 10.226 91 HD22 ASN 13 2HD2 ASN 13 -2.080 -11.975 11.172 92 H THR 14 H THR 14 3.673 -14.395 11.732 93 HA THR 14 HA THR 14 3.894 -16.909 13.244 94 HB THR 14 HB THR 14 5.383 -17.685 11.433 95 HG1 THR 14 HG1 THR 14 5.281 -16.302 9.464 96 HG21 THR 14 3HG2 THR 14 2.991 -18.175 11.308 97 HG22 THR 14 1HG2 THR 14 3.663 -17.923 9.698 98 HG23 THR 14 2HG2 THR 14 2.714 -16.651 10.467 99 H LEU 15 H LEU 15 4.826 -14.099 13.959 100 HA LEU 15 HA LEU 15 7.706 -14.315 13.966 101 HB2 LEU 15 2HB LEU 15 5.699 -12.294 14.674 102 HB3 LEU 15 3HB LEU 15 7.137 -12.291 15.693 103 HG LEU 15 HG LEU 15 7.110 -11.989 12.690 104 HD11 LEU 15 1HD1 LEU 15 8.145 -9.789 14.272 105 HD12 LEU 15 2HD1 LEU 15 6.444 -10.115 14.604 106 HD13 LEU 15 3HD1 LEU 15 6.972 -9.784 12.955 107 HD21 LEU 15 3HD2 LEU 15 9.535 -11.138 13.522 108 HD22 LEU 15 1HD2 LEU 15 9.207 -12.768 12.935 109 HD23 LEU 15 2HD2 LEU 15 9.239 -12.445 14.669 110 H GLU 16 H GLU 16 8.992 -14.949 15.613 111 HA GLU 16 HA GLU 16 7.674 -15.737 18.129 112 HB2 GLU 16 2HB GLU 16 10.040 -17.123 16.862 113 HB3 GLU 16 3HB GLU 16 9.160 -17.632 18.296 114 HG2 GLU 16 2HG GLU 16 7.204 -18.118 16.987 115 HG3 GLU 16 3HG GLU 16 7.969 -17.468 15.538 116 H ASP 17 H ASP 17 9.588 -16.219 19.810 117 HA ASP 17 HA ASP 17 10.969 -13.668 20.069 118 HB2 ASP 17 2HB ASP 17 11.503 -14.523 22.376 119 HB3 ASP 17 3HB ASP 17 9.784 -14.364 22.028 120 H SER 18 H SER 18 12.596 -13.947 18.493 121 HA SER 18 HA SER 18 14.870 -15.494 19.459 122 HB2 SER 18 2HB SER 18 13.345 -16.105 17.010 123 HB3 SER 18 3HB SER 18 15.092 -16.009 16.790 124 HG SER 18 HG SER 18 13.636 -17.961 17.926 125 H GLN 19 H GLN 19 16.711 -14.383 19.277 126 HA GLN 19 HA GLN 19 16.828 -11.727 18.548 127 HB2 GLN 19 2HB GLN 19 18.882 -13.858 18.919 128 HB3 GLN 19 3HB GLN 19 19.386 -12.328 18.213 129 HG2 GLN 19 2HG GLN 19 17.772 -12.221 20.694 130 HG3 GLN 19 3HG GLN 19 19.438 -12.784 20.823 131 HE21 GLN 19 1HE2 GLN 19 17.378 -10.111 19.928 132 HE22 GLN 19 2HE2 GLN 19 18.596 -8.889 20.010 133 H GLU 20 H GLU 20 17.399 -14.585 16.574 134 HA GLU 20 HA GLU 20 18.328 -13.117 14.297 135 HB2 GLU 20 2HB GLU 20 17.597 -15.961 14.848 136 HB3 GLU 20 3HB GLU 20 17.707 -15.425 13.178 137 HG2 GLU 20 2HG GLU 20 20.022 -14.463 14.031 138 HG3 GLU 20 3HG GLU 20 19.835 -15.761 15.209 139 H SER 21 H SER 21 15.239 -14.307 15.435 140 HA SER 21 HA SER 21 13.779 -14.056 13.046 141 HB2 SER 21 2HB SER 21 13.002 -14.014 15.954 142 HB3 SER 21 3HB SER 21 11.800 -13.764 14.687 143 HG SER 21 HG SER 21 11.787 -15.837 14.426 144 H ILE 22 H ILE 22 14.290 -11.771 15.716 145 HA ILE 22 HA ILE 22 12.687 -9.693 14.760 146 HB ILE 22 HB ILE 22 15.242 -9.425 16.349 147 HG12 ILE 22 2HG1 ILE 22 13.584 -10.979 17.363 148 HG13 ILE 22 3HG1 ILE 22 13.849 -9.532 18.330 149 HG21 ILE 22 1HG2 ILE 22 14.598 -7.296 15.495 150 HG22 ILE 22 2HG2 ILE 22 12.911 -7.568 15.925 151 HG23 ILE 22 3HG2 ILE 22 14.119 -7.349 17.191 152 HD11 ILE 22 3HD1 ILE 22 11.418 -10.578 17.402 153 HD12 ILE 22 1HD1 ILE 22 11.690 -9.078 18.288 154 HD13 ILE 22 2HD1 ILE 22 11.690 -9.073 16.524 155 H SER 23 H SER 23 16.089 -10.442 14.134 156 HA SER 23 HA SER 23 16.547 -8.121 12.533 157 HB2 SER 23 2HB SER 23 18.498 -9.006 13.483 158 HB3 SER 23 3HB SER 23 18.075 -10.660 13.044 159 HG SER 23 HG SER 23 18.662 -10.275 10.976 160 H SER 24 H SER 24 15.563 -11.429 11.902 161 HA SER 24 HA SER 24 15.961 -11.556 9.154 162 HB2 SER 24 2HB SER 24 15.186 -13.405 10.756 163 HB3 SER 24 3HB SER 24 13.559 -12.769 10.516 164 HG SER 24 HG SER 24 14.503 -14.535 9.056 165 H ALA 25 H ALA 25 13.109 -10.417 10.945 166 HA ALA 25 HA ALA 25 11.754 -9.609 8.533 167 HB1 ALA 25 1HB ALA 25 10.134 -8.581 10.221 168 HB2 ALA 25 2HB ALA 25 10.311 -10.337 10.226 169 HB3 ALA 25 3HB ALA 25 11.120 -9.366 11.456 170 H SER 26 H SER 26 13.795 -8.132 10.935 171 HA SER 26 HA SER 26 13.151 -5.443 10.586 172 HB2 SER 26 2HB SER 26 14.621 -6.185 12.381 173 HB3 SER 26 3HB SER 26 15.837 -6.696 11.209 174 HG SER 26 HG SER 26 15.573 -4.323 12.314 175 H LYS 27 H LYS 27 15.554 -7.424 8.873 176 HA LYS 27 HA LYS 27 16.563 -5.436 7.194 177 HB2 LYS 27 2HB LYS 27 16.353 -8.423 6.939 178 HB3 LYS 27 3HB LYS 27 17.027 -7.454 5.636 179 HG2 LYS 27 2HG LYS 27 18.932 -7.016 6.761 180 HG3 LYS 27 3HG LYS 27 18.123 -6.958 8.329 181 HD2 LYS 27 2HD LYS 27 19.545 -8.868 8.340 182 HD3 LYS 27 3HD LYS 27 17.887 -9.455 8.188 183 HE2 LYS 27 2HE LYS 27 18.160 -9.917 5.889 184 HE3 LYS 27 3HE LYS 27 19.661 -8.996 5.804 185 HZ1 LYS 27 3HZ LYS 27 19.247 -11.571 7.223 186 HZ2 LYS 27 1HZ LYS 27 20.673 -10.663 7.281 187 HZ3 LYS 27 2HZ LYS 27 20.153 -11.328 5.816 188 H TRP 28 H TRP 28 13.759 -7.549 6.825 189 HA TRP 28 HA TRP 28 13.139 -6.877 4.165 190 HB2 TRP 28 2HB TRP 28 12.190 -8.811 5.453 191 HB3 TRP 28 3HB TRP 28 11.180 -7.664 6.329 192 HD1 TRP 28 HD1 TRP 28 11.843 -8.367 2.556 193 HE1 TRP 28 HE1 TRP 28 9.571 -8.352 1.347 194 HE3 TRP 28 HE3 TRP 28 8.809 -7.370 6.547 195 HZ2 TRP 28 HZ2 TRP 28 6.851 -7.967 2.000 196 HZ3 TRP 28 HZ3 TRP 28 6.384 -7.194 6.170 197 HH2 TRP 28 HH2 TRP 28 5.427 -7.486 3.943 198 H LEU 29 H LEU 29 11.918 -5.563 7.238 199 HA LEU 29 HA LEU 29 10.247 -3.615 6.032 200 HB2 LEU 29 2HB LEU 29 11.340 -4.046 8.781 201 HB3 LEU 29 3HB LEU 29 10.505 -2.544 8.391 202 HG LEU 29 HG LEU 29 9.253 -5.255 8.011 203 HD11 LEU 29 1HD1 LEU 29 7.994 -4.299 10.167 204 HD12 LEU 29 2HD1 LEU 29 9.599 -3.628 10.452 205 HD13 LEU 29 3HD1 LEU 29 9.393 -5.369 10.264 206 HD21 LEU 29 3HD2 LEU 29 8.188 -3.534 6.734 207 HD22 LEU 29 1HD2 LEU 29 8.176 -2.443 8.119 208 HD23 LEU 29 2HD2 LEU 29 7.170 -3.891 8.130 209 H LEU 30 H LEU 30 13.610 -3.665 6.979 210 HA LEU 30 HA LEU 30 14.176 -0.945 7.051 211 HB2 LEU 30 2HB LEU 30 15.624 -3.228 7.302 212 HB3 LEU 30 3HB LEU 30 16.208 -2.625 5.753 213 HG LEU 30 HG LEU 30 17.677 -1.901 7.524 214 HD11 LEU 30 1HD1 LEU 30 16.668 -0.306 5.593 215 HD12 LEU 30 2HD1 LEU 30 17.962 0.167 6.693 216 HD13 LEU 30 3HD1 LEU 30 16.300 0.648 7.029 217 HD21 LEU 30 3HD2 LEU 30 15.221 -0.645 8.745 218 HD22 LEU 30 1HD2 LEU 30 16.877 -0.408 9.305 219 HD23 LEU 30 2HD2 LEU 30 16.137 -2.006 9.394 220 H LEU 31 H LEU 31 13.812 -3.111 4.309 221 HA LEU 31 HA LEU 31 14.549 -0.999 2.439 222 HB2 LEU 31 2HB LEU 31 13.598 -3.774 1.776 223 HB3 LEU 31 3HB LEU 31 14.490 -2.659 0.742 224 HG LEU 31 HG LEU 31 15.615 -3.969 3.216 225 HD11 LEU 31 1HD1 LEU 31 16.327 -4.661 0.389 226 HD12 LEU 31 2HD1 LEU 31 15.010 -5.476 1.231 227 HD13 LEU 31 3HD1 LEU 31 16.651 -5.563 1.870 228 HD21 LEU 31 3HD2 LEU 31 17.744 -3.249 1.800 229 HD22 LEU 31 1HD2 LEU 31 16.974 -2.164 2.958 230 HD23 LEU 31 2HD2 LEU 31 16.626 -2.006 1.236 231 H GLN 32 H GLN 32 11.988 -1.257 4.167 232 HA GLN 32 HA GLN 32 10.068 -0.887 1.963 233 HB2 GLN 32 2HB GLN 32 9.593 -1.769 4.813 234 HB3 GLN 32 3HB GLN 32 8.311 -1.400 3.667 235 HG2 GLN 32 2HG GLN 32 10.390 -3.434 2.991 236 HG3 GLN 32 3HG GLN 32 9.037 -3.854 4.040 237 HE21 GLN 32 1HE2 GLN 32 10.101 -3.614 0.885 238 HE22 GLN 32 2HE2 GLN 32 8.578 -3.750 0.080 239 H TYR 33 H TYR 33 11.882 1.134 2.976 240 HA TYR 33 HA TYR 33 10.646 2.894 4.777 241 HB2 TYR 33 2HB TYR 33 12.130 4.633 3.662 242 HB3 TYR 33 3HB TYR 33 12.951 3.228 4.332 243 HD1 TYR 33 HD1 TYR 33 11.425 4.337 1.101 244 HD2 TYR 33 HD2 TYR 33 14.573 2.226 3.035 245 HE1 TYR 33 HE1 TYR 33 12.480 3.922 -1.082 246 HE2 TYR 33 HE2 TYR 33 15.637 1.806 0.858 247 HH TYR 33 HH TYR 33 15.059 1.708 -1.485 248 H ARG 34 H ARG 34 9.914 2.136 1.531 249 HA ARG 34 HA ARG 34 8.698 4.615 0.800 250 HB2 ARG 34 2HB ARG 34 8.657 1.836 -0.341 251 HB3 ARG 34 3HB ARG 34 7.593 3.083 -0.977 252 HG2 ARG 34 2HG ARG 34 10.422 3.845 -0.727 253 HG3 ARG 34 3HG ARG 34 10.067 2.585 -1.911 254 HD2 ARG 34 2HD ARG 34 8.589 5.205 -1.782 255 HD3 ARG 34 3HD ARG 34 10.018 4.949 -2.782 256 HE ARG 34 HE ARG 34 8.390 2.935 -3.537 257 HH11 ARG 34 1HH1 ARG 34 7.925 6.371 -3.223 258 HH12 ARG 34 2HH1 ARG 34 6.744 6.459 -4.488 259 HH21 ARG 34 1HH2 ARG 34 6.838 3.038 -5.205 260 HH22 ARG 34 2HH2 ARG 34 6.126 4.562 -5.615 261 H ASP 35 H ASP 35 7.621 1.688 2.377 262 HA ASP 35 HA ASP 35 4.848 2.630 2.361 263 HB2 ASP 35 2HB ASP 35 5.714 0.043 3.603 264 HB3 ASP 35 3HB ASP 35 4.182 0.454 2.838 265 H ALA 36 H ALA 36 6.477 4.225 3.859 266 HA ALA 36 HA ALA 36 6.842 3.559 6.538 267 HB1 ALA 36 1HB ALA 36 7.820 5.548 6.399 268 HB2 ALA 36 2HB ALA 36 6.922 5.950 4.935 269 HB3 ALA 36 3HB ALA 36 6.218 6.278 6.518 270 HA PRO 37 HA PRO 37 2.528 5.484 7.527 271 HB2 PRO 37 2HB PRO 37 0.923 6.117 5.431 272 HB3 PRO 37 3HB PRO 37 2.087 7.251 6.126 273 HG2 PRO 37 2HG PRO 37 2.334 5.543 3.680 274 HG3 PRO 37 3HG PRO 37 2.805 7.237 3.915 275 HD2 PRO 37 2HD PRO 37 4.591 5.203 3.997 276 HD3 PRO 37 3HD PRO 37 4.773 6.673 4.974 277 H LYS 38 H LYS 38 2.724 3.447 4.653 278 HA LYS 38 HA LYS 38 0.247 2.128 4.979 279 HB2 LYS 38 2HB LYS 38 2.716 1.695 3.397 280 HB3 LYS 38 3HB LYS 38 1.708 0.280 3.669 281 HG2 LYS 38 2HG LYS 38 1.040 1.224 1.607 282 HG3 LYS 38 3HG LYS 38 -0.226 1.603 2.777 283 HD2 LYS 38 2HD LYS 38 0.320 3.841 2.844 284 HD3 LYS 38 3HD LYS 38 1.989 3.556 2.342 285 HE2 LYS 38 2HE LYS 38 1.195 4.395 0.389 286 HE3 LYS 38 3HE LYS 38 0.752 2.708 0.140 287 HZ1 LYS 38 3HZ LYS 38 -1.091 4.693 1.342 288 HZ2 LYS 38 1HZ LYS 38 -1.466 3.150 0.758 289 HZ3 LYS 38 2HZ LYS 38 -1.036 4.380 -0.320 290 H VAL 39 H VAL 39 3.555 1.062 5.787 291 HA VAL 39 HA VAL 39 2.762 -1.300 7.107 292 HB VAL 39 HB VAL 39 5.289 0.317 7.471 293 HG11 VAL 39 1HG1 VAL 39 5.719 -2.432 7.930 294 HG12 VAL 39 2HG1 VAL 39 5.827 -1.105 9.089 295 HG13 VAL 39 3HG1 VAL 39 4.304 -1.969 8.874 296 HG21 VAL 39 3HG2 VAL 39 6.260 -0.929 5.767 297 HG22 VAL 39 1HG2 VAL 39 5.029 -2.189 5.853 298 HG23 VAL 39 2HG2 VAL 39 4.637 -0.620 5.150 299 H ALA 40 H ALA 40 3.287 1.994 8.230 300 HA ALA 40 HA ALA 40 3.191 1.464 11.000 301 HB1 ALA 40 1HB ALA 40 2.531 3.972 9.463 302 HB2 ALA 40 2HB ALA 40 2.683 3.882 11.219 303 HB3 ALA 40 3HB ALA 40 4.079 3.547 10.195 304 H GLU 41 H GLU 41 0.664 2.601 8.757 305 HA GLU 41 HA GLU 41 -1.421 2.653 10.636 306 HB2 GLU 41 2HB GLU 41 -1.386 3.683 8.309 307 HB3 GLU 41 3HB GLU 41 -1.762 2.079 7.695 308 HG2 GLU 41 2HG GLU 41 -3.794 2.087 9.146 309 HG3 GLU 41 3HG GLU 41 -3.443 3.772 9.524 310 H MET 42 H MET 42 -0.409 0.124 8.359 311 HA MET 42 HA MET 42 -2.431 -1.724 8.987 312 HB2 MET 42 2HB MET 42 -0.486 -1.644 7.126 313 HB3 MET 42 3HB MET 42 0.239 -2.782 8.253 314 HG2 MET 42 2HG MET 42 -2.495 -3.066 7.029 315 HG3 MET 42 3HG MET 42 -1.037 -3.877 6.463 316 HE1 MET 42 3HE MET 42 0.397 -4.590 9.314 317 HE2 MET 42 1HE MET 42 -0.172 -6.257 9.414 318 HE3 MET 42 2HE MET 42 0.326 -5.587 7.860 319 H TRP 43 H TRP 43 0.911 -1.468 10.190 320 HA TRP 43 HA TRP 43 0.896 -3.626 11.926 321 HB2 TRP 43 2HB TRP 43 2.912 -2.321 11.372 322 HB3 TRP 43 3HB TRP 43 2.293 -0.970 12.318 323 HD1 TRP 43 HD1 TRP 43 3.739 -4.503 12.745 324 HE1 TRP 43 HE1 TRP 43 4.573 -4.753 15.167 325 HE3 TRP 43 HE3 TRP 43 2.000 -0.094 14.662 326 HZ2 TRP 43 HZ2 TRP 43 4.502 -3.277 17.573 327 HZ3 TRP 43 HZ3 TRP 43 2.424 0.410 17.033 328 HH2 TRP 43 HH2 TRP 43 3.649 -1.150 18.456 329 H LYS 44 H LYS 44 0.040 -0.244 12.635 330 HA LYS 44 HA LYS 44 -0.616 -0.579 15.324 331 HB2 LYS 44 2HB LYS 44 -0.354 1.618 14.262 332 HB3 LYS 44 3HB LYS 44 -1.816 1.345 13.323 333 HG2 LYS 44 2HG LYS 44 -2.646 0.954 15.922 334 HG3 LYS 44 3HG LYS 44 -1.501 2.291 16.046 335 HD2 LYS 44 2HD LYS 44 -3.527 2.352 13.864 336 HD3 LYS 44 3HD LYS 44 -4.052 2.709 15.511 337 HE2 LYS 44 2HE LYS 44 -1.852 4.241 15.398 338 HE3 LYS 44 3HE LYS 44 -2.300 4.248 13.693 339 HZ1 LYS 44 3HZ LYS 44 -3.464 5.674 15.834 340 HZ2 LYS 44 1HZ LYS 44 -4.631 4.676 15.125 341 HZ3 LYS 44 2HZ LYS 44 -3.788 5.795 14.178 342 H GLU 45 H GLU 45 -2.892 -0.397 12.577 343 HA GLU 45 HA GLU 45 -5.194 -1.081 13.945 344 HB2 GLU 45 2HB GLU 45 -4.314 -1.218 11.119 345 HB3 GLU 45 3HB GLU 45 -5.713 -2.193 11.546 346 HG2 GLU 45 2HG GLU 45 -5.574 0.698 12.295 347 HG3 GLU 45 3HG GLU 45 -6.079 0.199 10.682 348 H TYR 46 H TYR 46 -2.587 -3.111 12.854 349 HA TYR 46 HA TYR 46 -4.010 -5.584 13.152 350 HB2 TYR 46 2HB TYR 46 -2.220 -5.649 11.616 351 HB3 TYR 46 3HB TYR 46 -1.112 -4.876 12.744 352 HD1 TYR 46 HD1 TYR 46 -0.045 -6.156 14.518 353 HD2 TYR 46 HD2 TYR 46 -2.701 -8.023 11.767 354 HE1 TYR 46 HE1 TYR 46 0.770 -8.363 15.237 355 HE2 TYR 46 HE2 TYR 46 -1.894 -10.234 12.479 356 HH TYR 46 HH TYR 46 0.848 -10.785 14.010 357 H MET 47 H MET 47 -1.811 -3.668 15.130 358 HA MET 47 HA MET 47 -1.562 -5.618 17.202 359 HB2 MET 47 2HB MET 47 -0.969 -2.658 17.123 360 HB3 MET 47 3HB MET 47 -0.632 -3.677 18.515 361 HG2 MET 47 2HG MET 47 0.451 -4.434 15.845 362 HG3 MET 47 3HG MET 47 1.229 -3.154 16.773 363 HE1 MET 47 3HE MET 47 1.732 -4.389 20.005 364 HE2 MET 47 1HE MET 47 3.285 -4.531 19.181 365 HE3 MET 47 2HE MET 47 2.186 -3.216 18.768 366 H LEU 48 H LEU 48 -3.844 -3.126 16.439 367 HA LEU 48 HA LEU 48 -5.061 -3.267 19.093 368 HB2 LEU 48 2HB LEU 48 -5.887 -1.590 16.731 369 HB3 LEU 48 3HB LEU 48 -6.429 -1.416 18.399 370 HG LEU 48 HG LEU 48 -3.660 -0.849 17.343 371 HD11 LEU 48 1HD1 LEU 48 -4.418 1.192 16.941 372 HD12 LEU 48 2HD1 LEU 48 -4.852 1.359 18.641 373 HD13 LEU 48 3HD1 LEU 48 -6.028 0.725 17.489 374 HD21 LEU 48 3HD2 LEU 48 -3.374 -1.680 19.536 375 HD22 LEU 48 1HD2 LEU 48 -4.792 -0.814 20.130 376 HD23 LEU 48 2HD2 LEU 48 -3.340 0.078 19.675 377 H ARG 49 H ARG 49 -5.122 -5.553 17.285 378 HA ARG 49 HA ARG 49 -8.014 -5.721 16.753 379 HB2 ARG 49 2HB ARG 49 -5.636 -6.773 15.340 380 HB3 ARG 49 3HB ARG 49 -7.015 -7.860 15.437 381 HG2 ARG 49 2HG ARG 49 -8.412 -6.345 14.281 382 HG3 ARG 49 3HG ARG 49 -7.239 -5.036 14.438 383 HD2 ARG 49 2HD ARG 49 -5.979 -5.779 12.713 384 HD3 ARG 49 3HD ARG 49 -6.281 -7.476 13.087 385 HE ARG 49 HE ARG 49 -8.592 -6.136 12.058 386 HH11 ARG 49 1HH1 ARG 49 -5.627 -7.742 11.192 387 HH12 ARG 49 2HH1 ARG 49 -6.183 -8.201 9.616 388 HH21 ARG 49 1HH2 ARG 49 -9.335 -6.734 9.986 389 HH22 ARG 49 2HH2 ARG 49 -8.292 -7.626 8.931 390 HA PRO 50 HA PRO 50 -8.497 -8.821 19.822 391 HB2 PRO 50 2HB PRO 50 -10.405 -10.393 18.701 392 HB3 PRO 50 3HB PRO 50 -10.744 -8.782 19.343 393 HG2 PRO 50 2HG PRO 50 -10.288 -9.635 16.510 394 HG3 PRO 50 3HG PRO 50 -11.500 -8.516 17.160 395 HD2 PRO 50 2HD PRO 50 -9.227 -7.665 15.959 396 HD3 PRO 50 3HD PRO 50 -10.005 -6.766 17.278 397 H SER 51 H SER 51 -8.198 -10.067 16.507 398 HA SER 51 HA SER 51 -7.624 -12.710 17.020 399 HB2 SER 51 2HB SER 51 -5.997 -11.370 14.917 400 HB3 SER 51 3HB SER 51 -6.953 -12.850 14.830 401 HG SER 51 HG SER 51 -8.827 -11.384 14.988 402 H VAL 52 H VAL 52 -5.308 -10.015 16.821 403 HA VAL 52 HA VAL 52 -3.016 -11.537 17.424 404 HB VAL 52 HB VAL 52 -3.450 -8.600 17.982 405 HG11 VAL 52 1HG1 VAL 52 -0.872 -10.038 17.395 406 HG12 VAL 52 2HG1 VAL 52 -1.089 -8.382 17.967 407 HG13 VAL 52 3HG1 VAL 52 -1.460 -9.740 19.030 408 HG21 VAL 52 3HG2 VAL 52 -3.949 -8.876 15.700 409 HG22 VAL 52 1HG2 VAL 52 -2.262 -8.365 15.740 410 HG23 VAL 52 2HG2 VAL 52 -2.663 -10.062 15.476 411 H ASN 53 H ASN 53 -2.286 -12.360 19.272 412 HA ASN 53 HA ASN 53 -3.737 -11.783 21.734 413 HB2 ASN 53 2HB ASN 53 -1.582 -13.845 21.220 414 HB3 ASN 53 3HB ASN 53 -2.618 -13.746 22.641 415 HD21 ASN 53 1HD2 ASN 53 -4.197 -15.154 22.643 416 HD22 ASN 53 2HD2 ASN 53 -5.017 -15.776 21.255 417 H THR 54 H THR 54 -1.951 -12.215 23.694 418 HA THR 54 HA THR 54 -0.588 -9.750 23.886 419 HB THR 54 HB THR 54 0.586 -11.111 25.863 420 HG1 THR 54 HG1 THR 54 -1.076 -12.677 26.573 421 HG21 THR 54 3HG2 THR 54 -2.296 -10.632 26.347 422 HG22 THR 54 1HG2 THR 54 -1.361 -9.271 25.728 423 HG23 THR 54 2HG2 THR 54 -0.887 -10.054 27.235 424 H ARG 55 H ARG 55 0.598 -13.071 23.416 425 HA ARG 55 HA ARG 55 3.322 -12.549 23.394 426 HB2 ARG 55 2HB ARG 55 2.279 -14.811 23.377 427 HB3 ARG 55 3HB ARG 55 1.878 -14.577 21.681 428 HG2 ARG 55 2HG ARG 55 4.204 -14.489 21.087 429 HG3 ARG 55 3HG ARG 55 4.677 -14.539 22.786 430 HD2 ARG 55 2HD ARG 55 3.188 -16.715 21.321 431 HD3 ARG 55 3HD ARG 55 4.915 -16.723 21.673 432 HE ARG 55 HE ARG 55 3.679 -16.381 24.101 433 HH11 ARG 55 1HH1 ARG 55 3.603 -18.759 21.559 434 HH12 ARG 55 2HH1 ARG 55 3.241 -20.076 22.625 435 HH21 ARG 55 1HH2 ARG 55 3.202 -18.107 25.514 436 HH22 ARG 55 2HH2 ARG 55 3.012 -19.704 24.874 437 H ARG 56 H ARG 56 1.131 -12.724 20.585 438 HA ARG 56 HA ARG 56 2.950 -12.046 18.612 439 HB2 ARG 56 2HB ARG 56 -0.012 -11.575 18.861 440 HB3 ARG 56 3HB ARG 56 0.880 -11.068 17.433 441 HG2 ARG 56 2HG ARG 56 0.107 -13.129 16.790 442 HG3 ARG 56 3HG ARG 56 1.710 -13.533 17.409 443 HD2 ARG 56 2HD ARG 56 0.857 -14.451 19.370 444 HD3 ARG 56 3HD ARG 56 -0.684 -13.610 19.204 445 HE ARG 56 HE ARG 56 -1.442 -15.326 17.889 446 HH11 ARG 56 1HH1 ARG 56 2.018 -15.555 18.196 447 HH12 ARG 56 2HH1 ARG 56 2.114 -17.109 17.434 448 HH21 ARG 56 1HH2 ARG 56 -1.329 -17.371 16.885 449 HH22 ARG 56 2HH2 ARG 56 0.209 -18.140 16.688 450 H LYS 57 H LYS 57 1.096 -9.949 20.760 451 HA LYS 57 HA LYS 57 1.831 -7.507 19.518 452 HB2 LYS 57 2HB LYS 57 0.802 -8.171 22.274 453 HB3 LYS 57 3HB LYS 57 1.138 -6.522 21.763 454 HG2 LYS 57 2HG LYS 57 -0.554 -6.582 20.119 455 HG3 LYS 57 3HG LYS 57 -0.731 -8.332 20.263 456 HD2 LYS 57 2HD LYS 57 -1.507 -7.994 22.606 457 HD3 LYS 57 3HD LYS 57 -1.467 -6.253 22.321 458 HE2 LYS 57 2HE LYS 57 -3.137 -6.441 20.605 459 HE3 LYS 57 3HE LYS 57 -3.082 -8.201 20.682 460 HZ1 LYS 57 3HZ LYS 57 -4.901 -7.779 21.964 461 HZ2 LYS 57 1HZ LYS 57 -4.317 -6.297 22.534 462 HZ3 LYS 57 2HZ LYS 57 -3.711 -7.743 23.166 463 H LEU 58 H LEU 58 3.041 -9.151 22.437 464 HA LEU 58 HA LEU 58 4.988 -7.354 23.195 465 HB2 LEU 58 2HB LEU 58 4.320 -9.367 24.459 466 HB3 LEU 58 3HB LEU 58 5.195 -10.360 23.295 467 HG LEU 58 HG LEU 58 6.315 -9.861 25.543 468 HD11 LEU 58 1HD1 LEU 58 8.008 -9.069 23.208 469 HD12 LEU 58 2HD1 LEU 58 7.346 -10.699 23.328 470 HD13 LEU 58 3HD1 LEU 58 8.414 -10.087 24.590 471 HD21 LEU 58 3HD2 LEU 58 5.726 -7.300 25.047 472 HD22 LEU 58 1HD2 LEU 58 7.340 -7.363 24.339 473 HD23 LEU 58 2HD2 LEU 58 7.103 -7.795 26.032 474 H LEU 59 H LEU 59 5.230 -9.969 20.815 475 HA LEU 59 HA LEU 59 7.977 -9.508 20.222 476 HB2 LEU 59 2HB LEU 59 5.874 -10.881 18.556 477 HB3 LEU 59 3HB LEU 59 7.618 -10.997 18.331 478 HG LEU 59 HG LEU 59 6.160 -11.976 20.782 479 HD11 LEU 59 1HD1 LEU 59 6.634 -14.238 19.813 480 HD12 LEU 59 2HD1 LEU 59 7.024 -13.433 18.293 481 HD13 LEU 59 3HD1 LEU 59 5.398 -13.307 18.965 482 HD21 LEU 59 3HD2 LEU 59 8.711 -11.327 20.704 483 HD22 LEU 59 1HD2 LEU 59 8.853 -12.898 19.915 484 HD23 LEU 59 2HD2 LEU 59 8.164 -12.785 21.534 485 H GLY 60 H GLY 60 4.928 -8.499 18.731 486 HA2 GLY 60 2HA GLY 60 5.892 -7.321 16.414 487 HA3 GLY 60 3HA GLY 60 4.460 -6.783 17.279 488 H LEU 61 H LEU 61 5.557 -5.858 19.634 489 HA LEU 61 HA LEU 61 6.345 -3.270 18.952 490 HB2 LEU 61 2HB LEU 61 5.520 -4.476 21.221 491 HB3 LEU 61 3HB LEU 61 7.235 -4.278 21.576 492 HG LEU 61 HG LEU 61 5.239 -2.102 20.966 493 HD11 LEU 61 1HD1 LEU 61 5.302 -3.179 23.262 494 HD12 LEU 61 2HD1 LEU 61 5.518 -1.430 23.202 495 HD13 LEU 61 3HD1 LEU 61 6.914 -2.484 23.431 496 HD21 LEU 61 3HD2 LEU 61 8.219 -1.930 21.392 497 HD22 LEU 61 1HD2 LEU 61 7.118 -0.553 21.362 498 HD23 LEU 61 2HD2 LEU 61 7.339 -1.537 19.915 499 H TYR 62 H TYR 62 8.281 -6.060 19.958 500 HA TYR 62 HA TYR 62 10.761 -4.699 20.015 501 HB2 TYR 62 2HB TYR 62 9.867 -7.527 20.074 502 HB3 TYR 62 3HB TYR 62 11.525 -7.239 19.559 503 HD1 TYR 62 HD2 TYR 62 12.771 -5.426 21.151 504 HD2 TYR 62 HD1 TYR 62 9.566 -7.974 22.309 505 HE1 TYR 62 HE2 TYR 62 13.469 -5.227 23.501 506 HE2 TYR 62 HE1 TYR 62 10.255 -7.781 24.662 507 HH TYR 62 HH TYR 62 13.208 -6.100 25.580 508 H LEU 63 H LEU 63 8.951 -6.299 17.481 509 HA LEU 63 HA LEU 63 11.043 -6.431 15.574 510 HB2 LEU 63 2HB LEU 63 9.055 -7.799 15.375 511 HB3 LEU 63 3HB LEU 63 8.050 -6.360 15.218 512 HG LEU 63 HG LEU 63 8.648 -7.753 13.112 513 HD11 LEU 63 1HD1 LEU 63 7.843 -5.173 13.530 514 HD12 LEU 63 2HD1 LEU 63 7.911 -5.983 11.965 515 HD13 LEU 63 3HD1 LEU 63 9.252 -4.966 12.490 516 HD21 LEU 63 3HD2 LEU 63 11.149 -7.556 13.790 517 HD22 LEU 63 1HD2 LEU 63 11.042 -5.964 13.038 518 HD23 LEU 63 2HD2 LEU 63 10.693 -7.411 12.091 519 H MET 64 H MET 64 8.278 -4.190 15.843 520 HA MET 64 HA MET 64 9.118 -2.455 13.800 521 HB2 MET 64 2HB MET 64 7.407 -1.005 14.503 522 HB3 MET 64 3HB MET 64 6.822 -2.611 14.918 523 HG2 MET 64 2HG MET 64 6.345 -1.612 16.873 524 HG3 MET 64 3HG MET 64 8.033 -1.985 17.216 525 HE1 MET 64 3HE MET 64 7.830 0.541 19.191 526 HE2 MET 64 1HE MET 64 6.564 1.566 18.514 527 HE3 MET 64 2HE MET 64 6.300 -0.170 18.675 528 H ASN 65 H ASN 65 9.934 -2.648 17.193 529 HA ASN 65 HA ASN 65 11.116 -0.079 17.423 530 HB2 ASN 65 2HB ASN 65 10.375 -1.514 19.346 531 HB3 ASN 65 3HB ASN 65 11.770 -2.546 19.045 532 HD21 ASN 65 1HD2 ASN 65 12.355 -2.015 21.235 533 HD22 ASN 65 2HD2 ASN 65 13.192 -0.538 21.561 534 H HIS 66 H HIS 66 12.441 -3.301 16.754 535 HA HIS 66 HA HIS 66 15.147 -2.507 16.629 536 HB2 HIS 66 2HB HIS 66 14.116 -4.884 16.790 537 HB3 HIS 66 3HB HIS 66 14.042 -4.801 15.033 538 HD1 HIS 66 HD1 HIS 66 16.801 -3.852 17.487 539 HD2 HIS 66 HD2 HIS 66 16.160 -6.194 14.116 540 HE1 HIS 66 HE1 HIS 66 19.039 -4.856 16.930 541 H VAL 67 H VAL 67 12.620 -2.770 14.172 542 HA VAL 67 HA VAL 67 14.250 -2.259 11.931 543 HB VAL 67 HB VAL 67 11.322 -1.583 12.231 544 HG11 VAL 67 1HG1 VAL 67 12.401 -2.494 9.654 545 HG12 VAL 67 2HG1 VAL 67 11.249 -1.206 10.014 546 HG13 VAL 67 3HG1 VAL 67 12.980 -0.918 10.193 547 HG21 VAL 67 3HG2 VAL 67 11.768 -4.014 10.816 548 HG22 VAL 67 1HG2 VAL 67 12.593 -4.106 12.371 549 HG23 VAL 67 2HG2 VAL 67 10.866 -3.755 12.309 550 H VAL 68 H VAL 68 12.102 -0.070 13.754 551 HA VAL 68 HA VAL 68 12.723 2.276 12.386 552 HB VAL 68 HB VAL 68 11.966 1.964 15.294 553 HG11 VAL 68 1HG1 VAL 68 11.208 4.293 15.138 554 HG12 VAL 68 2HG1 VAL 68 12.946 4.149 14.869 555 HG13 VAL 68 3HG1 VAL 68 11.858 4.388 13.502 556 HG21 VAL 68 3HG2 VAL 68 9.871 1.591 14.633 557 HG22 VAL 68 1HG2 VAL 68 9.918 2.947 13.506 558 HG23 VAL 68 2HG2 VAL 68 10.505 1.361 13.004 559 H GLN 69 H GLN 69 14.243 0.865 15.266 560 HA GLN 69 HA GLN 69 16.026 2.897 15.873 561 HB2 GLN 69 2HB GLN 69 15.949 -0.035 16.330 562 HB3 GLN 69 3HB GLN 69 17.501 0.761 16.553 563 HG2 GLN 69 2HG GLN 69 16.482 2.295 18.160 564 HG3 GLN 69 3HG GLN 69 14.931 1.486 17.942 565 HE21 GLN 69 1HE2 GLN 69 14.627 0.635 19.914 566 HE22 GLN 69 2HE2 GLN 69 15.687 -0.502 20.668 567 H GLN 70 H GLN 70 16.296 0.315 13.488 568 HA GLN 70 HA GLN 70 18.995 0.935 12.772 569 HB2 GLN 70 2HB GLN 70 16.853 -0.771 11.522 570 HB3 GLN 70 3HB GLN 70 18.412 -0.526 10.746 571 HG2 GLN 70 2HG GLN 70 17.999 -1.687 13.492 572 HG3 GLN 70 3HG GLN 70 18.313 -2.612 12.025 573 HE21 GLN 70 1HE2 GLN 70 20.338 -2.029 10.862 574 HE22 GLN 70 2HE2 GLN 70 21.730 -1.664 11.818 575 H ALA 71 H ALA 71 15.836 1.966 11.717 576 HA ALA 71 HA ALA 71 16.339 2.991 9.210 577 HB1 ALA 71 1HB ALA 71 14.701 4.782 10.823 578 HB2 ALA 71 2HB ALA 71 14.283 3.846 9.387 579 HB3 ALA 71 3HB ALA 71 14.240 3.087 10.978 580 H LYS 72 H LYS 72 16.967 4.497 12.355 581 HA LYS 72 HA LYS 72 17.751 7.019 11.502 582 HB2 LYS 72 2HB LYS 72 18.441 5.325 13.870 583 HB3 LYS 72 3HB LYS 72 19.319 6.826 13.608 584 HG2 LYS 72 2HG LYS 72 16.357 6.925 13.503 585 HG3 LYS 72 3HG LYS 72 17.126 6.716 15.078 586 HD2 LYS 72 2HD LYS 72 17.847 8.902 13.131 587 HD3 LYS 72 3HD LYS 72 16.676 9.095 14.438 588 HE2 LYS 72 2HE LYS 72 18.527 8.335 16.003 589 HE3 LYS 72 3HE LYS 72 19.628 8.551 14.642 590 HZ1 LYS 72 3HZ LYS 72 19.697 10.710 15.059 591 HZ2 LYS 72 1HZ LYS 72 18.710 10.487 16.414 592 HZ3 LYS 72 2HZ LYS 72 18.017 10.844 14.913 593 H GLY 73 H GLY 73 19.480 3.983 11.425 594 HA2 GLY 73 2HA GLY 73 22.075 5.054 10.988 595 HA3 GLY 73 3HA GLY 73 21.559 3.413 10.625 596 H GLN 74 H GLN 74 19.425 4.219 8.835 597 HA GLN 74 HA GLN 74 21.088 4.839 6.507 598 HB2 GLN 74 2HB GLN 74 18.227 3.908 6.434 599 HB3 GLN 74 3HB GLN 74 19.447 3.786 5.173 600 HG2 GLN 74 2HG GLN 74 19.145 2.159 7.663 601 HG3 GLN 74 3HG GLN 74 19.255 1.622 5.987 602 HE21 GLN 74 1HE2 GLN 74 20.812 1.066 8.529 603 HE22 GLN 74 2HE2 GLN 74 22.462 1.267 8.059 604 H LYS 75 H LYS 75 19.868 6.769 8.539 605 HA LYS 75 HA LYS 75 18.911 8.834 8.561 606 HB2 LYS 75 2HB LYS 75 19.756 8.706 5.663 607 HB3 LYS 75 3HB LYS 75 19.165 10.165 6.447 608 HG2 LYS 75 2HG LYS 75 21.399 10.493 6.678 609 HG3 LYS 75 3HG LYS 75 21.088 9.596 8.165 610 HD2 LYS 75 2HD LYS 75 22.015 7.636 7.325 611 HD3 LYS 75 3HD LYS 75 21.827 8.152 5.647 612 HE2 LYS 75 2HE LYS 75 23.564 9.854 5.994 613 HE3 LYS 75 3HE LYS 75 23.760 9.305 7.657 614 HZ1 LYS 75 3HZ LYS 75 24.056 7.024 6.267 615 HZ2 LYS 75 1HZ LYS 75 25.335 8.001 6.788 616 HZ3 LYS 75 2HZ LYS 75 24.749 8.146 5.208 617 H ILE 76 H ILE 76 16.993 7.025 8.607 618 HA ILE 76 HA ILE 76 15.022 7.900 6.598 619 HB ILE 76 HB ILE 76 14.872 5.368 8.229 620 HG12 ILE 76 2HG1 ILE 76 15.830 5.711 5.379 621 HG13 ILE 76 3HG1 ILE 76 16.858 5.336 6.758 622 HG21 ILE 76 1HG2 ILE 76 13.501 5.466 5.669 623 HG22 ILE 76 2HG2 ILE 76 12.895 5.014 7.261 624 HG23 ILE 76 3HG2 ILE 76 12.944 6.711 6.786 625 HD11 ILE 76 3HD1 ILE 76 16.384 3.174 6.631 626 HD12 ILE 76 1HD1 ILE 76 14.652 3.479 6.505 627 HD13 ILE 76 2HD1 ILE 76 15.663 3.528 5.061 628 H ILE 77 H ILE 77 13.670 9.358 7.398 629 HA ILE 77 HA ILE 77 12.967 9.244 10.248 630 HB ILE 77 HB ILE 77 12.586 11.517 8.297 631 HG12 ILE 77 2HG1 ILE 77 14.364 12.496 10.006 632 HG13 ILE 77 3HG1 ILE 77 14.768 10.794 10.204 633 HG21 ILE 77 1HG2 ILE 77 11.897 11.132 11.172 634 HG22 ILE 77 2HG2 ILE 77 12.352 12.736 10.600 635 HG23 ILE 77 3HG2 ILE 77 10.971 11.904 9.886 636 HD11 ILE 77 3HD1 ILE 77 16.025 10.916 8.396 637 HD12 ILE 77 1HD1 ILE 77 14.591 11.280 7.436 638 HD13 ILE 77 2HD1 ILE 77 15.538 12.591 8.141 639 H GLN 78 H GLN 78 11.679 8.969 7.045 640 HA GLN 78 HA GLN 78 8.984 9.479 7.459 641 HB2 GLN 78 2HB GLN 78 10.432 8.689 5.334 642 HB3 GLN 78 3HB GLN 78 9.657 7.163 5.735 643 HG2 GLN 78 2HG GLN 78 8.232 8.134 4.181 644 HG3 GLN 78 3HG GLN 78 7.469 8.477 5.733 645 HE21 GLN 78 1HE2 GLN 78 10.106 9.989 3.902 646 HE22 GLN 78 2HE2 GLN 78 9.429 11.579 3.910 647 H PHE 79 H PHE 79 10.858 6.570 8.134 648 HA PHE 79 HA PHE 79 8.590 4.992 8.874 649 HB2 PHE 79 2HB PHE 79 11.404 4.583 8.513 650 HB3 PHE 79 3HB PHE 79 10.929 3.942 10.082 651 HD1 PHE 79 HD2 PHE 79 8.309 2.865 9.685 652 HD2 PHE 79 HD1 PHE 79 11.640 2.845 7.034 653 HE1 PHE 79 HE2 PHE 79 7.423 0.847 8.592 654 HE2 PHE 79 HE1 PHE 79 10.759 0.828 5.936 655 HZ PHE 79 HZ PHE 79 8.648 -0.175 6.715 656 H GLN 80 H GLN 80 11.011 6.878 10.621 657 HA GLN 80 HA GLN 80 10.302 6.110 13.223 658 HB2 GLN 80 2HB GLN 80 11.350 8.820 12.405 659 HB3 GLN 80 3HB GLN 80 11.519 8.041 13.972 660 HG2 GLN 80 2HG GLN 80 12.610 6.288 12.049 661 HG3 GLN 80 3HG GLN 80 13.232 7.902 11.706 662 HE21 GLN 80 1HE2 GLN 80 14.084 9.093 13.620 663 HE22 GLN 80 2HE2 GLN 80 14.982 8.189 14.785 664 H ASP 81 H ASP 81 9.157 8.787 11.198 665 HA ASP 81 HA ASP 81 7.391 9.842 13.167 666 HB2 ASP 81 2HB ASP 81 8.133 11.323 11.450 667 HB3 ASP 81 3HB ASP 81 7.591 10.229 10.181 668 H SER 82 H SER 82 7.019 7.599 10.469 669 HA SER 82 HA SER 82 4.206 7.405 10.559 670 HB2 SER 82 2HB SER 82 4.454 5.453 9.166 671 HB3 SER 82 3HB SER 82 5.664 6.633 8.665 672 HG SER 82 HG SER 82 6.450 4.439 8.920 673 H PHE 83 H PHE 83 6.764 5.474 12.078 674 HA PHE 83 HA PHE 83 4.893 3.742 13.405 675 HB2 PHE 83 2HB PHE 83 7.842 4.005 13.248 676 HB3 PHE 83 3HB PHE 83 7.201 3.271 14.715 677 HD1 PHE 83 HD1 PHE 83 5.044 1.633 13.940 678 HD2 PHE 83 HD2 PHE 83 8.647 2.416 11.814 679 HE1 PHE 83 HE1 PHE 83 4.814 -0.517 12.765 680 HE2 PHE 83 HE2 PHE 83 8.422 0.268 10.635 681 HZ PHE 83 HZ PHE 83 6.503 -1.201 11.109 682 H GLY 84 H GLY 84 6.477 6.740 14.107 683 HA2 GLY 84 2HA GLY 84 6.141 6.600 16.958 684 HA3 GLY 84 3HA GLY 84 6.601 8.019 16.029 685 H LYS 85 H LYS 85 4.262 7.833 14.272 686 HA LYS 85 HA LYS 85 2.461 9.367 15.874 687 HB2 LYS 85 2HB LYS 85 1.128 9.558 13.839 688 HB3 LYS 85 3HB LYS 85 2.826 9.860 13.496 689 HG2 LYS 85 2HG LYS 85 3.023 8.044 12.175 690 HG3 LYS 85 3HG LYS 85 1.913 7.079 13.150 691 HD2 LYS 85 2HD LYS 85 0.866 7.447 11.043 692 HD3 LYS 85 3HD LYS 85 0.041 8.471 12.221 693 HE2 LYS 85 2HE LYS 85 0.335 9.974 10.522 694 HE3 LYS 85 3HE LYS 85 1.825 10.239 11.426 695 HZ1 LYS 85 3HZ LYS 85 1.746 9.742 8.810 696 HZ2 LYS 85 1HZ LYS 85 1.946 8.169 9.400 697 HZ3 LYS 85 2HZ LYS 85 3.072 9.368 9.792 698 H VAL 86 H VAL 86 2.853 6.062 15.372 699 HA VAL 86 HA VAL 86 0.099 5.542 16.289 700 HB VAL 86 HB VAL 86 0.158 3.384 15.176 701 HG11 VAL 86 1HG1 VAL 86 -0.341 4.155 13.080 702 HG12 VAL 86 2HG1 VAL 86 -0.357 5.675 13.978 703 HG13 VAL 86 3HG1 VAL 86 1.057 5.229 13.021 704 HG21 VAL 86 3HG2 VAL 86 2.061 2.397 14.591 705 HG22 VAL 86 1HG2 VAL 86 2.429 3.710 13.473 706 HG23 VAL 86 2HG2 VAL 86 2.947 3.813 15.155 707 H ALA 87 H ALA 87 3.325 5.461 17.101 708 HA ALA 87 HA ALA 87 3.428 3.045 18.610 709 HB1 ALA 87 1HB ALA 87 5.169 5.377 18.178 710 HB2 ALA 87 2HB ALA 87 5.360 4.564 19.732 711 HB3 ALA 87 3HB ALA 87 5.561 3.658 18.232 712 H ALA 88 H ALA 88 3.215 6.464 19.616 713 HA ALA 88 HA ALA 88 2.876 6.051 22.334 714 HB1 ALA 88 1HB ALA 88 1.552 8.250 20.758 715 HB2 ALA 88 2HB ALA 88 2.029 8.278 22.456 716 HB3 ALA 88 3HB ALA 88 3.261 8.244 21.195 717 H GLU 89 H GLU 89 0.575 5.739 19.727 718 HA GLU 89 HA GLU 89 -1.739 5.654 21.422 719 HB2 GLU 89 2HB GLU 89 -1.556 6.242 18.881 720 HB3 GLU 89 3HB GLU 89 -1.674 4.502 18.656 721 HG2 GLU 89 2HG GLU 89 -3.828 4.411 19.546 722 HG3 GLU 89 3HG GLU 89 -3.682 6.000 20.295 723 H VAL 90 H VAL 90 -0.170 3.171 19.392 724 HA VAL 90 HA VAL 90 -1.573 0.979 20.363 725 HB VAL 90 HB VAL 90 1.278 1.052 19.365 726 HG11 VAL 90 1HG1 VAL 90 0.480 -1.382 18.695 727 HG12 VAL 90 2HG1 VAL 90 1.200 -1.042 20.270 728 HG13 VAL 90 3HG1 VAL 90 -0.552 -1.167 20.109 729 HG21 VAL 90 3HG2 VAL 90 -0.667 1.917 17.898 730 HG22 VAL 90 1HG2 VAL 90 0.465 0.753 17.210 731 HG23 VAL 90 2HG2 VAL 90 -1.118 0.217 17.773 732 H LEU 91 H LEU 91 1.366 2.505 21.587 733 HA LEU 91 HA LEU 91 2.185 0.642 23.450 734 HB2 LEU 91 2HB LEU 91 2.452 3.546 23.112 735 HB3 LEU 91 3HB LEU 91 2.656 2.975 24.767 736 HG LEU 91 HG LEU 91 4.741 3.243 23.285 737 HD11 LEU 91 1HD1 LEU 91 5.509 0.860 24.196 738 HD12 LEU 91 2HD1 LEU 91 4.006 1.026 25.102 739 HD13 LEU 91 3HD1 LEU 91 5.266 2.251 25.253 740 HD21 LEU 91 3HD2 LEU 91 3.391 1.730 21.520 741 HD22 LEU 91 1HD2 LEU 91 4.297 0.476 22.367 742 HD23 LEU 91 2HD2 LEU 91 5.152 1.809 21.591 743 H GLY 92 H GLY 92 -0.211 3.238 23.872 744 HA2 GLY 92 2HA GLY 92 -0.801 2.593 26.577 745 HA3 GLY 92 3HA GLY 92 -1.778 3.597 25.516 746 H ARG 93 H ARG 93 -1.906 1.328 23.542 747 HA ARG 93 HA ARG 93 -4.287 0.125 24.630 748 HB2 ARG 93 2HB ARG 93 -2.923 0.160 21.979 749 HB3 ARG 93 3HB ARG 93 -4.045 -1.152 22.314 750 HG2 ARG 93 2HG ARG 93 -4.897 1.662 22.805 751 HG3 ARG 93 3HG ARG 93 -4.871 1.029 21.158 752 HD2 ARG 93 2HD ARG 93 -6.553 -0.473 21.562 753 HD3 ARG 93 3HD ARG 93 -6.171 -0.601 23.278 754 HE ARG 93 HE ARG 93 -7.672 1.066 23.676 755 HH11 ARG 93 1HH1 ARG 93 -6.712 1.214 20.333 756 HH12 ARG 93 2HH1 ARG 93 -7.835 2.470 19.931 757 HH21 ARG 93 1HH2 ARG 93 -9.155 2.720 23.159 758 HH22 ARG 93 2HH2 ARG 93 -9.223 3.327 21.539 759 H ILE 94 H ILE 94 -1.014 -0.901 23.828 760 HA ILE 94 HA ILE 94 -1.554 -3.667 24.472 761 HB ILE 94 HB ILE 94 0.795 -4.065 24.027 762 HG12 ILE 94 2HG1 ILE 94 1.022 -1.056 23.798 763 HG13 ILE 94 3HG1 ILE 94 1.721 -2.052 25.070 764 HG21 ILE 94 1HG2 ILE 94 -0.728 -3.903 22.124 765 HG22 ILE 94 2HG2 ILE 94 -0.400 -2.176 22.003 766 HG23 ILE 94 3HG2 ILE 94 0.888 -3.341 21.698 767 HD11 ILE 94 3HD1 ILE 94 3.122 -3.169 23.390 768 HD12 ILE 94 1HD1 ILE 94 2.455 -2.103 22.154 769 HD13 ILE 94 2HD1 ILE 94 3.412 -1.432 23.474 770 H ASN 95 H ASN 95 -0.177 -0.856 26.031 771 HA ASN 95 HA ASN 95 1.163 -2.086 28.150 772 HB2 ASN 95 2HB ASN 95 1.390 0.300 27.650 773 HB3 ASN 95 3HB ASN 95 -0.287 0.570 28.115 774 HD21 ASN 95 1HD2 ASN 95 -0.853 0.543 30.278 775 HD22 ASN 95 2HD2 ASN 95 0.321 0.624 31.542 776 H GLN 96 H GLN 96 -2.236 -1.413 27.660 777 HA GLN 96 HA GLN 96 -2.939 -2.133 30.376 778 HB2 GLN 96 2HB GLN 96 -4.681 -1.536 27.979 779 HB3 GLN 96 3HB GLN 96 -5.263 -1.774 29.621 780 HG2 GLN 96 2HG GLN 96 -4.070 0.193 30.366 781 HG3 GLN 96 3HG GLN 96 -3.385 0.412 28.756 782 HE21 GLN 96 1HE2 GLN 96 -4.461 1.618 27.344 783 HE22 GLN 96 2HE2 GLN 96 -6.079 2.190 27.543 784 H GLU 97 H GLU 97 -3.366 -3.481 27.120 785 HA GLU 97 HA GLU 97 -4.742 -5.808 27.950 786 HB2 GLU 97 2HB GLU 97 -3.194 -5.118 25.460 787 HB3 GLU 97 3HB GLU 97 -3.948 -6.691 25.681 788 HG2 GLU 97 2HG GLU 97 -5.623 -4.278 26.088 789 HG3 GLU 97 3HG GLU 97 -5.172 -4.711 24.440 790 H PHE 98 H PHE 98 -1.452 -4.897 28.102 791 HA PHE 98 HA PHE 98 -0.412 -7.593 28.164 792 HB2 PHE 98 2HB PHE 98 0.773 -4.855 28.463 793 HB3 PHE 98 3HB PHE 98 1.695 -6.266 28.972 794 HD1 PHE 98 HD1 PHE 98 -0.567 -6.773 26.222 795 HD2 PHE 98 HD2 PHE 98 3.372 -5.546 27.266 796 HE1 PHE 98 HE1 PHE 98 0.157 -7.134 23.899 797 HE2 PHE 98 HE2 PHE 98 4.102 -5.904 24.944 798 HZ PHE 98 HZ PHE 98 2.494 -6.698 23.256 799 HA PRO 99 HA PRO 99 -1.077 -8.299 32.464 800 HB2 PRO 99 2HB PRO 99 0.743 -10.280 32.828 801 HB3 PRO 99 3HB PRO 99 -0.788 -10.526 31.981 802 HG2 PRO 99 2HG PRO 99 1.946 -10.063 30.854 803 HG3 PRO 99 3HG PRO 99 0.701 -11.213 30.332 804 HD2 PRO 99 2HD PRO 99 1.137 -8.863 29.060 805 HD3 PRO 99 3HD PRO 99 -0.471 -9.609 29.164 806 H ARG 100 H ARG 100 0.191 -8.460 34.526 807 HA ARG 100 HA ARG 100 1.814 -6.223 34.885 808 HB2 ARG 100 2HB ARG 100 0.510 -7.617 36.622 809 HB3 ARG 100 3HB ARG 100 1.948 -8.626 36.687 810 HG2 ARG 100 2HG ARG 100 3.191 -6.393 37.118 811 HG3 ARG 100 3HG ARG 100 1.588 -5.792 37.550 812 HD2 ARG 100 2HD ARG 100 2.689 -6.553 39.543 813 HD3 ARG 100 3HD ARG 100 1.377 -7.666 39.161 814 HE ARG 100 HE ARG 100 3.551 -8.791 37.981 815 HH11 ARG 100 1HH1 ARG 100 2.830 -7.695 41.206 816 HH12 ARG 100 2HH1 ARG 100 3.864 -8.855 41.972 817 HH21 ARG 100 1HH2 ARG 100 4.917 -10.323 38.978 818 HH22 ARG 100 2HH2 ARG 100 5.052 -10.348 40.704 819 H ASP 101 H ASP 101 2.597 -9.395 33.799 820 HA ASP 101 HA ASP 101 5.375 -9.333 34.465 821 HB2 ASP 101 2HB ASP 101 3.662 -11.060 32.707 822 HB3 ASP 101 3HB ASP 101 5.417 -11.194 32.639 823 H LEU 102 H LEU 102 3.571 -8.853 31.435 824 HA LEU 102 HA LEU 102 5.842 -8.181 29.886 825 HB2 LEU 102 2HB LEU 102 2.918 -8.118 29.559 826 HB3 LEU 102 3HB LEU 102 3.813 -6.964 28.572 827 HG LEU 102 HG LEU 102 5.071 -8.777 27.553 828 HD11 LEU 102 1HD1 LEU 102 3.510 -10.491 29.465 829 HD12 LEU 102 2HD1 LEU 102 5.259 -10.378 29.272 830 HD13 LEU 102 3HD1 LEU 102 4.281 -11.136 28.016 831 HD21 LEU 102 3HD2 LEU 102 2.771 -10.089 26.845 832 HD22 LEU 102 1HD2 LEU 102 3.366 -8.595 26.120 833 HD23 LEU 102 2HD2 LEU 102 2.167 -8.531 27.412 834 H LYS 103 H LYS 103 3.798 -6.370 32.022 835 HA LYS 103 HA LYS 103 4.299 -3.772 31.081 836 HB2 LYS 103 2HB LYS 103 3.567 -4.866 33.787 837 HB3 LYS 103 3HB LYS 103 3.821 -3.145 33.531 838 HG2 LYS 103 2HG LYS 103 2.106 -3.707 31.516 839 HG3 LYS 103 3HG LYS 103 1.579 -4.864 32.741 840 HD2 LYS 103 2HD LYS 103 0.308 -3.023 33.287 841 HD3 LYS 103 3HD LYS 103 1.713 -2.788 34.330 842 HE2 LYS 103 2HE LYS 103 1.816 -1.615 31.608 843 HE3 LYS 103 3HE LYS 103 0.737 -0.856 32.777 844 HZ1 LYS 103 3HZ LYS 103 2.634 0.265 33.240 845 HZ2 LYS 103 1HZ LYS 103 3.653 -0.996 32.757 846 HZ3 LYS 103 2HZ LYS 103 2.890 -1.056 34.265 847 H LYS 104 H LYS 104 6.202 -5.957 33.008 848 HA LYS 104 HA LYS 104 8.034 -3.992 33.989 849 HB2 LYS 104 2HB LYS 104 7.750 -6.069 35.198 850 HB3 LYS 104 3HB LYS 104 8.232 -7.001 33.786 851 HG2 LYS 104 2HG LYS 104 10.321 -5.185 34.326 852 HG3 LYS 104 3HG LYS 104 9.853 -5.918 35.862 853 HD2 LYS 104 2HD LYS 104 9.987 -7.858 33.701 854 HD3 LYS 104 3HD LYS 104 11.523 -7.027 33.956 855 HE2 LYS 104 2HE LYS 104 11.580 -8.918 35.360 856 HE3 LYS 104 3HE LYS 104 11.237 -7.550 36.418 857 HZ1 LYS 104 3HZ LYS 104 9.778 -9.874 36.189 858 HZ2 LYS 104 1HZ LYS 104 8.835 -8.692 35.429 859 HZ3 LYS 104 2HZ LYS 104 9.334 -8.476 37.031 860 H LYS 105 H LYS 105 8.284 -6.515 31.483 861 HA LYS 105 HA LYS 105 10.824 -5.723 30.549 862 HB2 LYS 105 2HB LYS 105 10.261 -7.081 28.543 863 HB3 LYS 105 3HB LYS 105 9.986 -7.930 30.058 864 HG2 LYS 105 2HG LYS 105 7.555 -7.174 29.830 865 HG3 LYS 105 3HG LYS 105 7.969 -6.787 28.159 866 HD2 LYS 105 2HD LYS 105 8.246 -9.484 29.487 867 HD3 LYS 105 3HD LYS 105 7.007 -9.021 28.317 868 HE2 LYS 105 2HE LYS 105 8.821 -8.577 26.672 869 HE3 LYS 105 3HE LYS 105 9.979 -9.213 27.840 870 HZ1 LYS 105 3HZ LYS 105 9.385 -10.927 26.296 871 HZ2 LYS 105 1HZ LYS 105 7.734 -10.697 26.587 872 HZ3 LYS 105 2HZ LYS 105 8.729 -11.319 27.805 873 H LEU 106 H LEU 106 7.558 -4.762 29.669 874 HA LEU 106 HA LEU 106 8.325 -3.262 27.365 875 HB2 LEU 106 2HB LEU 106 6.110 -3.953 27.342 876 HB3 LEU 106 3HB LEU 106 5.845 -3.485 29.020 877 HG LEU 106 HG LEU 106 5.823 -1.133 28.373 878 HD11 LEU 106 1HD1 LEU 106 7.382 -1.443 26.427 879 HD12 LEU 106 2HD1 LEU 106 5.991 -0.402 26.123 880 HD13 LEU 106 3HD1 LEU 106 6.002 -2.057 25.515 881 HD21 LEU 106 3HD2 LEU 106 3.708 -2.270 28.397 882 HD22 LEU 106 1HD2 LEU 106 3.983 -2.908 26.776 883 HD23 LEU 106 2HD2 LEU 106 3.744 -1.177 27.013 884 H SER 107 H SER 107 7.684 -2.470 30.749 885 HA SER 107 HA SER 107 7.707 0.289 30.634 886 HB2 SER 107 2HB SER 107 7.166 -0.689 32.716 887 HB3 SER 107 3HB SER 107 8.659 -1.628 32.757 888 HG SER 107 HG SER 107 9.325 -0.018 33.943 889 H ARG 108 H ARG 108 10.429 -1.953 30.685 890 HA ARG 108 HA ARG 108 12.387 0.163 30.784 891 HB2 ARG 108 2HB ARG 108 14.036 -1.606 30.639 892 HB3 ARG 108 3HB ARG 108 12.801 -2.050 31.810 893 HG2 ARG 108 2HG ARG 108 11.866 -3.654 30.392 894 HG3 ARG 108 3HG ARG 108 12.675 -2.994 28.970 895 HD2 ARG 108 2HD ARG 108 13.801 -5.008 29.577 896 HD3 ARG 108 3HD ARG 108 14.852 -3.657 29.998 897 HE ARG 108 HE ARG 108 13.290 -4.356 32.230 898 HH11 ARG 108 1HH1 ARG 108 15.931 -5.553 30.305 899 HH12 ARG 108 2HH1 ARG 108 16.643 -6.451 31.604 900 HH21 ARG 108 1HH2 ARG 108 14.217 -5.534 33.949 901 HH22 ARG 108 2HH2 ARG 108 15.667 -6.440 33.677 902 H VAL 109 H VAL 109 10.742 -1.681 28.353 903 HA VAL 109 HA VAL 109 12.574 -1.228 26.224 904 HB VAL 109 HB VAL 109 9.660 -1.993 26.262 905 HG11 VAL 109 1HG1 VAL 109 11.319 -1.072 24.025 906 HG12 VAL 109 2HG1 VAL 109 10.489 -2.605 23.748 907 HG13 VAL 109 3HG1 VAL 109 9.565 -1.165 24.177 908 HG21 VAL 109 3HG2 VAL 109 11.529 -3.824 25.030 909 HG22 VAL 109 1HG2 VAL 109 11.994 -3.440 26.688 910 HG23 VAL 109 2HG2 VAL 109 10.392 -4.096 26.350 911 H VAL 110 H VAL 110 9.750 0.492 27.442 912 HA VAL 110 HA VAL 110 9.494 2.330 25.316 913 HB VAL 110 HB VAL 110 8.751 2.812 28.202 914 HG11 VAL 110 1HG1 VAL 110 7.655 3.951 25.633 915 HG12 VAL 110 2HG1 VAL 110 7.055 4.299 27.255 916 HG13 VAL 110 3HG1 VAL 110 8.680 4.800 26.789 917 HG21 VAL 110 3HG2 VAL 110 6.464 2.054 26.842 918 HG22 VAL 110 1HG2 VAL 110 7.693 0.929 26.264 919 HG23 VAL 110 2HG2 VAL 110 7.370 1.071 27.992 920 H ASN 111 H ASN 111 11.296 2.449 28.361 921 HA ASN 111 HA ASN 111 12.155 5.096 28.250 922 HB2 ASN 111 2HB ASN 111 13.160 2.611 29.553 923 HB3 ASN 111 3HB ASN 111 14.244 3.998 29.489 924 HD21 ASN 111 1HD2 ASN 111 10.735 3.768 29.910 925 HD22 ASN 111 2HD2 ASN 111 10.690 4.598 31.425 926 H ILE 112 H ILE 112 13.339 2.246 26.600 927 HA ILE 112 HA ILE 112 15.840 3.058 25.768 928 HB ILE 112 HB ILE 112 13.808 1.490 24.175 929 HG12 ILE 112 2HG1 ILE 112 16.101 0.507 25.885 930 HG13 ILE 112 3HG1 ILE 112 14.427 0.572 26.425 931 HG21 ILE 112 1HG2 ILE 112 15.937 0.557 23.110 932 HG22 ILE 112 2HG2 ILE 112 15.416 2.167 22.617 933 HG23 ILE 112 3HG2 ILE 112 16.739 1.983 23.768 934 HD11 ILE 112 3HD1 ILE 112 13.896 -0.906 24.428 935 HD12 ILE 112 1HD1 ILE 112 15.636 -1.161 24.302 936 HD13 ILE 112 2HD1 ILE 112 14.778 -1.640 25.767 937 H LEU 113 H LEU 113 12.687 3.918 24.443 938 HA LEU 113 HA LEU 113 13.427 5.132 22.077 939 HB2 LEU 113 2HB LEU 113 11.229 5.670 24.034 940 HB3 LEU 113 3HB LEU 113 11.431 6.697 22.617 941 HG LEU 113 HG LEU 113 9.728 5.012 22.227 942 HD11 LEU 113 1HD1 LEU 113 10.569 4.108 20.151 943 HD12 LEU 113 2HD1 LEU 113 12.231 4.401 20.661 944 HD13 LEU 113 3HD1 LEU 113 11.150 5.761 20.359 945 HD21 LEU 113 3HD2 LEU 113 10.582 3.319 23.794 946 HD22 LEU 113 1HD2 LEU 113 11.914 2.985 22.688 947 HD23 LEU 113 2HD2 LEU 113 10.254 2.645 22.196 948 H LYS 114 H LYS 114 13.546 6.413 25.357 949 HA LYS 114 HA LYS 114 14.278 9.061 24.571 950 HB2 LYS 114 2HB LYS 114 14.757 7.774 27.258 951 HB3 LYS 114 3HB LYS 114 14.604 9.490 26.904 952 HG2 LYS 114 2HG LYS 114 12.224 8.681 26.024 953 HG3 LYS 114 3HG LYS 114 12.516 7.422 27.226 954 HD2 LYS 114 2HD LYS 114 11.382 9.119 28.389 955 HD3 LYS 114 3HD LYS 114 13.078 9.321 28.834 956 HE2 LYS 114 2HE LYS 114 13.330 11.193 27.436 957 HE3 LYS 114 3HE LYS 114 11.842 10.843 26.558 958 HZ1 LYS 114 3HZ LYS 114 12.083 12.605 28.598 959 HZ2 LYS 114 1HZ LYS 114 11.438 11.246 29.373 960 HZ3 LYS 114 2HZ LYS 114 10.628 11.932 28.057 961 H GLU 115 H GLU 115 16.016 6.129 25.370 962 HA GLU 115 HA GLU 115 18.575 7.340 25.658 963 HB2 GLU 115 2HB GLU 115 17.855 4.483 24.979 964 HB3 GLU 115 3HB GLU 115 19.445 5.043 25.478 965 HG2 GLU 115 2HG GLU 115 17.016 5.405 27.198 966 HG3 GLU 115 3HG GLU 115 17.991 3.937 27.238 967 H ARG 116 H ARG 116 17.057 5.521 22.999 968 HA ARG 116 HA ARG 116 19.230 6.114 21.203 969 HB2 ARG 116 2HB ARG 116 16.533 4.980 20.470 970 HB3 ARG 116 3HB ARG 116 18.046 4.815 19.590 971 HG2 ARG 116 2HG ARG 116 17.366 3.581 22.250 972 HG3 ARG 116 3HG ARG 116 17.527 2.749 20.701 973 HD2 ARG 116 2HD ARG 116 19.918 3.730 20.693 974 HD3 ARG 116 3HD ARG 116 19.651 3.979 22.418 975 HE ARG 116 HE ARG 116 19.857 1.720 22.743 976 HH11 ARG 116 1HH1 ARG 116 19.417 2.358 19.349 977 HH12 ARG 116 2HH1 ARG 116 19.749 0.728 18.866 978 HH21 ARG 116 1HH2 ARG 116 20.296 -0.430 22.120 979 HH22 ARG 116 2HH2 ARG 116 20.248 -0.857 20.443 980 H ASN 117 H ASN 117 16.425 7.713 22.216 981 HA ASN 117 HA ASN 117 15.350 9.599 21.539 982 HB2 ASN 117 2HB ASN 117 17.986 9.976 20.110 983 HB3 ASN 117 3HB ASN 117 16.726 11.206 20.150 984 HD21 ASN 117 1HD2 ASN 117 19.405 9.926 21.708 985 HD22 ASN 117 2HD2 ASN 117 19.267 10.785 23.201 986 H ILE 118 H ILE 118 14.660 7.297 20.151 987 HA ILE 118 HA ILE 118 14.739 7.474 17.362 988 HB ILE 118 HB ILE 118 12.516 6.287 19.026 989 HG12 ILE 118 2HG1 ILE 118 14.770 5.432 19.638 990 HG13 ILE 118 3HG1 ILE 118 13.740 4.196 18.923 991 HG21 ILE 118 1HG2 ILE 118 11.584 6.017 17.009 992 HG22 ILE 118 2HG2 ILE 118 13.088 6.377 16.163 993 HG23 ILE 118 3HG2 ILE 118 12.792 4.752 16.781 994 HD11 ILE 118 3HD1 ILE 118 15.733 5.739 17.301 995 HD12 ILE 118 1HD1 ILE 118 16.161 4.270 18.178 996 HD13 ILE 118 2HD1 ILE 118 14.935 4.215 16.911 997 H PHE 119 H PHE 119 11.814 8.070 19.306 998 HA PHE 119 HA PHE 119 10.815 9.848 17.238 999 HB2 PHE 119 2HB PHE 119 9.461 9.116 19.836 1000 HB3 PHE 119 3HB PHE 119 8.712 9.747 18.373 1001 HD1 PHE 119 HD2 PHE 119 9.360 8.200 16.216 1002 HD2 PHE 119 HD1 PHE 119 9.047 6.913 20.261 1003 HE1 PHE 119 HE2 PHE 119 8.926 5.904 15.448 1004 HE2 PHE 119 HE1 PHE 119 8.613 4.614 19.499 1005 HZ PHE 119 HZ PHE 119 8.551 4.107 17.090 1006 H SER 120 H SER 120 9.771 11.922 17.913 1007 HA SER 120 HA SER 120 11.685 13.527 19.305 1008 HB2 SER 120 2HB SER 120 9.143 14.019 17.829 1009 HB3 SER 120 3HB SER 120 9.683 15.257 18.963 1010 HG SER 120 HG SER 120 10.531 14.864 16.510 1011 H LYS 121 H LYS 121 10.577 15.305 20.831 1012 HA LYS 121 HA LYS 121 9.985 13.962 23.241 1013 HB2 LYS 121 2HB LYS 121 10.323 16.726 22.351 1014 HB3 LYS 121 3HB LYS 121 9.137 16.560 23.639 1015 HG2 LYS 121 2HG LYS 121 11.837 15.290 23.866 1016 HG3 LYS 121 3HG LYS 121 11.590 16.992 24.263 1017 HD2 LYS 121 2HD LYS 121 10.041 16.456 25.981 1018 HD3 LYS 121 3HD LYS 121 9.937 14.774 25.454 1019 HE2 LYS 121 2HE LYS 121 11.329 14.667 27.313 1020 HE3 LYS 121 3HE LYS 121 12.460 14.687 25.961 1021 HZ1 LYS 121 3HZ LYS 121 12.969 16.209 27.894 1022 HZ2 LYS 121 1HZ LYS 121 11.666 17.159 27.381 1023 HZ3 LYS 121 2HZ LYS 121 12.992 16.919 26.358 1024 H GLN 122 H GLN 122 7.954 15.672 20.906 1025 HA GLN 122 HA GLN 122 5.558 15.656 22.329 1026 HB2 GLN 122 2HB GLN 122 6.266 15.751 19.429 1027 HB3 GLN 122 3HB GLN 122 4.584 15.499 19.878 1028 HG2 GLN 122 2HG GLN 122 4.728 17.791 19.622 1029 HG3 GLN 122 3HG GLN 122 4.887 17.571 21.364 1030 HE21 GLN 122 1HE2 GLN 122 6.322 18.895 22.189 1031 HE22 GLN 122 2HE2 GLN 122 7.814 19.373 21.460 1032 H VAL 123 H VAL 123 7.027 13.179 20.293 1033 HA VAL 123 HA VAL 123 4.779 11.406 20.436 1034 HB VAL 123 HB VAL 123 7.626 10.735 19.685 1035 HG11 VAL 123 1HG1 VAL 123 6.333 9.006 18.274 1036 HG12 VAL 123 2HG1 VAL 123 6.526 8.710 20.003 1037 HG13 VAL 123 3HG1 VAL 123 4.997 9.331 19.379 1038 HG21 VAL 123 3HG2 VAL 123 5.358 11.847 18.053 1039 HG22 VAL 123 1HG2 VAL 123 6.993 12.483 18.234 1040 HG23 VAL 123 2HG2 VAL 123 6.721 10.995 17.327 1041 H VAL 124 H VAL 124 8.031 11.390 21.895 1042 HA VAL 124 HA VAL 124 7.768 9.094 23.435 1043 HB VAL 124 HB VAL 124 9.320 11.596 24.119 1044 HG11 VAL 124 1HG1 VAL 124 10.544 9.220 25.079 1045 HG12 VAL 124 2HG1 VAL 124 9.927 10.592 26.002 1046 HG13 VAL 124 3HG1 VAL 124 8.867 9.233 25.624 1047 HG21 VAL 124 3HG2 VAL 124 10.757 9.263 23.097 1048 HG22 VAL 124 1HG2 VAL 124 9.640 9.980 21.935 1049 HG23 VAL 124 2HG2 VAL 124 10.906 10.967 22.665 1050 H ASN 125 H ASN 125 7.124 12.467 24.387 1051 HA ASN 125 HA ASN 125 6.296 11.987 26.995 1052 HB2 ASN 125 2HB ASN 125 5.740 14.146 25.000 1053 HB3 ASN 125 3HB ASN 125 4.820 14.119 26.502 1054 HD21 ASN 125 1HD2 ASN 125 7.171 15.714 25.205 1055 HD22 ASN 125 2HD2 ASN 125 8.248 15.929 26.539 1056 H ASP 126 H ASP 126 4.624 11.509 23.985 1057 HA ASP 126 HA ASP 126 2.006 11.286 25.123 1058 HB2 ASP 126 2HB ASP 126 2.489 11.881 22.725 1059 HB3 ASP 126 3HB ASP 126 2.956 10.202 22.467 1060 H ILE 127 H ILE 127 4.630 9.081 24.414 1061 HA ILE 127 HA ILE 127 3.152 6.676 24.709 1062 HB ILE 127 HB ILE 127 6.114 7.140 25.082 1063 HG12 ILE 127 2HG1 ILE 127 4.835 5.933 22.651 1064 HG13 ILE 127 3HG1 ILE 127 4.919 7.683 22.820 1065 HG21 ILE 127 1HG2 ILE 127 5.619 5.078 26.096 1066 HG22 ILE 127 2HG2 ILE 127 4.465 4.642 24.837 1067 HG23 ILE 127 3HG2 ILE 127 6.191 4.669 24.479 1068 HD11 ILE 127 3HD1 ILE 127 6.879 7.448 21.776 1069 HD12 ILE 127 1HD1 ILE 127 7.475 6.987 23.370 1070 HD13 ILE 127 2HD1 ILE 127 7.021 5.743 22.205 1071 H GLU 128 H GLU 128 4.841 8.783 26.946 1072 HA GLU 128 HA GLU 128 4.751 6.967 29.153 1073 HB2 GLU 128 2HB GLU 128 5.214 9.950 29.021 1074 HB3 GLU 128 3HB GLU 128 5.343 9.001 30.495 1075 HG2 GLU 128 2HG GLU 128 6.940 8.260 28.084 1076 HG3 GLU 128 3HG GLU 128 7.473 9.562 29.145 1077 H ARG 129 H ARG 129 2.960 9.959 28.402 1078 HA ARG 129 HA ARG 129 1.201 9.903 30.547 1079 HB2 ARG 129 2HB ARG 129 -0.214 11.383 29.261 1080 HB3 ARG 129 3HB ARG 129 1.470 11.803 28.977 1081 HG2 ARG 129 2HG ARG 129 1.385 10.527 26.858 1082 HG3 ARG 129 3HG ARG 129 -0.336 10.251 27.137 1083 HD2 ARG 129 2HD ARG 129 -0.014 12.122 25.625 1084 HD3 ARG 129 3HD ARG 129 -0.711 12.675 27.147 1085 HE ARG 129 HE ARG 129 2.125 12.876 27.166 1086 HH11 ARG 129 1HH1 ARG 129 -0.764 14.408 25.973 1087 HH12 ARG 129 2HH1 ARG 129 -0.051 15.984 25.889 1088 HH21 ARG 129 1HH2 ARG 129 3.076 14.947 27.060 1089 HH22 ARG 129 2HH2 ARG 129 2.134 16.290 26.507 1090 H SER 130 H SER 130 1.050 8.222 27.462 1091 HA SER 130 HA SER 130 -1.568 7.349 27.450 1092 HB2 SER 130 2HB SER 130 -0.898 5.685 25.917 1093 HB3 SER 130 3HB SER 130 0.278 6.981 25.696 1094 HG SER 130 HG SER 130 0.850 4.526 26.155 1095 H LEU 131 H LEU 131 1.195 6.035 29.205 1096 HA LEU 131 HA LEU 131 -0.330 3.828 30.273 1097 HB2 LEU 131 2HB LEU 131 2.300 4.703 31.380 1098 HB3 LEU 131 3HB LEU 131 1.641 3.077 31.215 1099 HG LEU 131 HG LEU 131 2.710 4.788 28.970 1100 HD11 LEU 131 1HD1 LEU 131 3.924 2.819 30.775 1101 HD12 LEU 131 2HD1 LEU 131 4.670 4.092 29.810 1102 HD13 LEU 131 3HD1 LEU 131 4.242 2.554 29.060 1103 HD21 LEU 131 3HD2 LEU 131 0.856 2.708 28.868 1104 HD22 LEU 131 1HD2 LEU 131 2.396 1.975 28.418 1105 HD23 LEU 131 2HD2 LEU 131 1.790 3.370 27.526 1106 H ALA 132 H ALA 132 1.077 6.836 31.533 1107 HA ALA 132 HA ALA 132 0.306 6.559 34.197 1108 HB1 ALA 132 1HB ALA 132 0.560 9.101 32.593 1109 HB2 ALA 132 2HB ALA 132 0.544 8.986 34.354 1110 HB3 ALA 132 3HB ALA 132 1.868 8.270 33.434 1111 H ALA 133 H ALA 133 -1.563 7.335 31.389 1112 HA ALA 133 HA ALA 133 -3.770 8.507 32.801 1113 HB1 ALA 133 1HB ALA 133 -4.913 8.483 30.679 1114 HB2 ALA 133 2HB ALA 133 -3.255 9.034 30.440 1115 HB3 ALA 133 3HB ALA 133 -3.709 7.387 30.003 1116 H ALA 134 H ALA 134 -3.136 5.347 31.302 1117 HA ALA 134 HA ALA 134 -5.605 4.159 31.827 1118 HB1 ALA 134 1HB ALA 134 -3.028 3.318 30.907 1119 HB2 ALA 134 2HB ALA 134 -3.662 2.142 32.059 1120 HB3 ALA 134 3HB ALA 134 -4.605 2.579 30.634 1121 H LEU 135 H LEU 135 -2.995 4.922 33.948 1122 HA LEU 135 HA LEU 135 -3.518 3.036 35.992 1123 HB2 LEU 135 2HB LEU 135 -1.434 4.415 35.697 1124 HB3 LEU 135 3HB LEU 135 -2.339 5.783 36.341 1125 HG LEU 135 HG LEU 135 -2.701 4.385 38.425 1126 HD11 LEU 135 1HD1 LEU 135 -0.847 2.624 36.893 1127 HD12 LEU 135 2HD1 LEU 135 -2.229 2.201 37.903 1128 HD13 LEU 135 3HD1 LEU 135 -0.713 2.703 38.650 1129 HD21 LEU 135 3HD2 LEU 135 -1.147 5.802 39.137 1130 HD22 LEU 135 1HD2 LEU 135 -0.424 5.885 37.531 1131 HD23 LEU 135 2HD2 LEU 135 0.083 4.630 38.662 1132 H GLU 136 H GLU 136 -4.975 6.060 35.113 1133 HA GLU 136 HA GLU 136 -6.730 7.241 35.951 1134 HB2 GLU 136 2HB GLU 136 -7.645 4.805 35.746 1135 HB3 GLU 136 3HB GLU 136 -7.581 4.821 37.503 1136 HG2 GLU 136 2HG GLU 136 -8.893 7.087 37.178 1137 HG3 GLU 136 3HG GLU 136 -9.342 6.327 35.652 1138 H HIS 137 H HIS 137 -4.395 7.617 37.341 1139 HA HIS 137 HA HIS 137 -4.423 7.198 40.083 1140 HB2 HIS 137 2HB HIS 137 -2.521 8.129 38.723 1141 HB3 HIS 137 3HB HIS 137 -3.361 9.678 38.720 1142 HD1 HIS 137 HD1 HIS 137 -1.195 7.524 40.783 1143 HD2 HIS 137 HD2 HIS 137 -3.510 10.936 41.290 1144 HE1 HIS 137 HE1 HIS 137 -0.457 8.518 42.972 1145 H HIS 138 H HIS 138 -5.613 10.045 38.300 1146 HA HIS 138 HA HIS 138 -7.117 10.831 40.701 1147 HB2 HIS 138 2HB HIS 138 -5.452 12.428 39.540 1148 HB3 HIS 138 3HB HIS 138 -6.685 12.583 38.292 1149 HD1 HIS 138 HD1 HIS 138 -8.910 12.359 40.790 1150 HD2 HIS 138 HD2 HIS 138 -5.966 15.203 40.080 1151 HE1 HIS 138 HE1 HIS 138 -9.656 14.421 42.021 Start of MODEL 8 1 H ALA 2 H ALA 2 8.245 -2.215 -5.049 2 HA ALA 2 HA ALA 2 5.408 -2.962 -5.350 3 HB1 ALA 2 1HB ALA 2 7.708 -4.526 -6.497 4 HB2 ALA 2 2HB ALA 2 5.986 -4.711 -6.833 5 HB3 ALA 2 3HB ALA 2 6.847 -3.281 -7.402 6 H PHE 3 H PHE 3 4.765 -3.786 -3.467 7 HA PHE 3 HA PHE 3 6.329 -5.962 -2.297 8 HB2 PHE 3 2HB PHE 3 6.271 -5.081 -0.086 9 HB3 PHE 3 3HB PHE 3 6.871 -3.786 -1.117 10 HD1 PHE 3 HD1 PHE 3 4.876 -2.277 -2.119 11 HD2 PHE 3 HD2 PHE 3 4.751 -4.491 1.514 12 HE1 PHE 3 HE1 PHE 3 3.109 -0.787 -1.276 13 HE2 PHE 3 HE2 PHE 3 2.983 -3.005 2.362 14 HZ PHE 3 HZ PHE 3 2.159 -1.151 0.966 15 H SER 4 H SER 4 4.955 -6.850 -0.318 16 HA SER 4 HA SER 4 2.116 -6.893 -1.078 17 HB2 SER 4 2HB SER 4 3.778 -9.339 -0.427 18 HB3 SER 4 3HB SER 4 2.050 -9.326 -0.779 19 HG SER 4 HG SER 4 4.228 -8.951 -2.498 20 H SER 5 H SER 5 1.056 -6.107 0.613 21 HA SER 5 HA SER 5 2.011 -5.910 3.220 22 HB2 SER 5 2HB SER 5 -0.199 -5.229 3.844 23 HB3 SER 5 3HB SER 5 0.077 -4.634 2.207 24 HG SER 5 HG SER 5 -1.884 -6.177 3.047 25 H GLU 6 H GLU 6 0.534 -8.564 1.578 26 HA GLU 6 HA GLU 6 -0.501 -10.019 3.727 27 HB2 GLU 6 2HB GLU 6 -0.864 -10.558 1.326 28 HB3 GLU 6 3HB GLU 6 0.797 -11.128 1.232 29 HG2 GLU 6 2HG GLU 6 -0.554 -13.040 1.472 30 HG3 GLU 6 3HG GLU 6 0.220 -12.780 3.034 31 H GLN 7 H GLN 7 2.776 -9.611 2.596 32 HA GLN 7 HA GLN 7 3.938 -11.782 3.988 33 HB2 GLN 7 2HB GLN 7 4.883 -9.412 2.531 34 HB3 GLN 7 3HB GLN 7 5.957 -9.944 3.817 35 HG2 GLN 7 2HG GLN 7 4.942 -11.669 1.570 36 HG3 GLN 7 3HG GLN 7 6.535 -10.920 1.650 37 HE21 GLN 7 1HE2 GLN 7 5.750 -13.744 1.506 38 HE22 GLN 7 2HE2 GLN 7 6.481 -14.504 2.875 39 H PHE 8 H PHE 8 3.730 -8.317 4.779 40 HA PHE 8 HA PHE 8 5.002 -8.442 7.262 41 HB2 PHE 8 2HB PHE 8 4.425 -6.354 5.984 42 HB3 PHE 8 3HB PHE 8 2.760 -6.556 6.522 43 HD1 PHE 8 HD1 PHE 8 6.068 -6.838 8.227 44 HD2 PHE 8 HD2 PHE 8 2.230 -5.001 8.118 45 HE1 PHE 8 HE1 PHE 8 6.596 -5.621 10.299 46 HE2 PHE 8 HE2 PHE 8 2.752 -3.780 10.189 47 HZ PHE 8 HZ PHE 8 4.938 -4.088 11.282 48 H THR 9 H THR 9 1.590 -8.830 6.410 49 HA THR 9 HA THR 9 0.662 -9.086 9.083 50 HB THR 9 HB THR 9 -0.730 -10.277 6.694 51 HG1 THR 9 HG1 THR 9 -0.914 -8.337 5.891 52 HG21 THR 9 3HG2 THR 9 -2.370 -10.581 8.169 53 HG22 THR 9 1HG2 THR 9 -2.439 -8.839 8.436 54 HG23 THR 9 2HG2 THR 9 -1.391 -9.844 9.437 55 H THR 10 H THR 10 1.236 -11.497 6.520 56 HA THR 10 HA THR 10 0.622 -13.773 8.000 57 HB THR 10 HB THR 10 2.652 -13.491 5.776 58 HG1 THR 10 HG1 THR 10 0.777 -14.429 4.597 59 HG21 THR 10 3HG2 THR 10 1.749 -16.016 5.567 60 HG22 THR 10 1HG2 THR 10 1.665 -15.815 7.317 61 HG23 THR 10 2HG2 THR 10 3.197 -15.580 6.474 62 H LYS 11 H LYS 11 3.712 -12.076 7.633 63 HA LYS 11 HA LYS 11 5.235 -13.907 9.165 64 HB2 LYS 11 2HB LYS 11 5.694 -11.003 8.473 65 HB3 LYS 11 3HB LYS 11 6.875 -12.001 9.313 66 HG2 LYS 11 2HG LYS 11 5.797 -13.019 6.746 67 HG3 LYS 11 3HG LYS 11 6.920 -11.658 6.689 68 HD2 LYS 11 2HD LYS 11 8.466 -13.310 6.658 69 HD3 LYS 11 3HD LYS 11 8.228 -13.261 8.406 70 HE2 LYS 11 2HE LYS 11 8.148 -15.551 7.607 71 HE3 LYS 11 3HE LYS 11 6.568 -15.060 8.216 72 HZ1 LYS 11 3HZ LYS 11 6.972 -16.236 5.847 73 HZ2 LYS 11 1HZ LYS 11 6.980 -14.607 5.389 74 HZ3 LYS 11 2HZ LYS 11 5.642 -15.251 6.199 75 H LEU 12 H LEU 12 3.620 -10.856 9.973 76 HA LEU 12 HA LEU 12 4.479 -10.666 12.630 77 HB2 LEU 12 2HB LEU 12 2.182 -9.587 11.076 78 HB3 LEU 12 3HB LEU 12 2.151 -9.441 12.832 79 HG LEU 12 HG LEU 12 4.392 -8.393 11.110 80 HD11 LEU 12 1HD1 LEU 12 3.208 -6.166 11.876 81 HD12 LEU 12 2HD1 LEU 12 1.780 -7.200 11.878 82 HD13 LEU 12 3HD1 LEU 12 2.725 -7.005 10.402 83 HD21 LEU 12 3HD2 LEU 12 4.187 -8.829 13.862 84 HD22 LEU 12 1HD2 LEU 12 3.945 -7.096 13.641 85 HD23 LEU 12 2HD2 LEU 12 5.402 -7.868 13.018 86 H ASN 13 H ASN 13 1.941 -12.550 11.149 87 HA ASN 13 HA ASN 13 0.639 -13.241 13.607 88 HB2 ASN 13 2HB ASN 13 0.452 -14.251 10.777 89 HB3 ASN 13 3HB ASN 13 -0.398 -15.059 12.090 90 HD21 ASN 13 1HD2 ASN 13 -1.270 -13.462 9.698 91 HD22 ASN 13 2HD2 ASN 13 -2.363 -12.288 10.342 92 H THR 14 H THR 14 3.067 -14.729 11.529 93 HA THR 14 HA THR 14 3.253 -17.034 13.319 94 HB THR 14 HB THR 14 3.230 -17.425 10.868 95 HG1 THR 14 HG1 THR 14 5.688 -18.121 12.139 96 HG21 THR 14 3HG2 THR 14 4.474 -16.187 9.499 97 HG22 THR 14 1HG2 THR 14 5.939 -16.800 10.266 98 HG23 THR 14 2HG2 THR 14 5.164 -15.342 10.885 99 H LEU 15 H LEU 15 4.207 -14.205 13.893 100 HA LEU 15 HA LEU 15 7.057 -14.310 13.965 101 HB2 LEU 15 2HB LEU 15 4.947 -12.468 14.782 102 HB3 LEU 15 3HB LEU 15 6.324 -12.480 15.882 103 HG LEU 15 HG LEU 15 6.422 -11.898 12.922 104 HD11 LEU 15 1HD1 LEU 15 5.505 -10.230 14.810 105 HD12 LEU 15 2HD1 LEU 15 6.409 -9.691 13.396 106 HD13 LEU 15 3HD1 LEU 15 7.234 -9.904 14.940 107 HD21 LEU 15 3HD2 LEU 15 8.587 -12.365 13.038 108 HD22 LEU 15 1HD2 LEU 15 8.453 -12.738 14.757 109 HD23 LEU 15 2HD2 LEU 15 8.769 -11.083 14.237 110 H GLU 16 H GLU 16 8.386 -15.127 15.465 111 HA GLU 16 HA GLU 16 7.185 -16.119 17.967 112 HB2 GLU 16 2HB GLU 16 9.531 -17.307 16.476 113 HB3 GLU 16 3HB GLU 16 8.802 -17.940 17.945 114 HG2 GLU 16 2HG GLU 16 6.780 -18.480 16.788 115 HG3 GLU 16 3HG GLU 16 7.345 -17.670 15.328 116 H ASP 17 H ASP 17 8.976 -16.518 19.670 117 HA ASP 17 HA ASP 17 10.387 -13.997 19.983 118 HB2 ASP 17 2HB ASP 17 10.876 -14.900 22.285 119 HB3 ASP 17 3HB ASP 17 9.165 -14.716 21.909 120 H SER 18 H SER 18 12.044 -14.253 18.437 121 HA SER 18 HA SER 18 14.314 -15.770 19.434 122 HB2 SER 18 2HB SER 18 13.051 -17.270 17.831 123 HB3 SER 18 3HB SER 18 13.444 -16.113 16.560 124 HG SER 18 HG SER 18 15.294 -17.075 16.424 125 H GLN 19 H GLN 19 16.232 -14.796 19.023 126 HA GLN 19 HA GLN 19 16.305 -12.112 18.266 127 HB2 GLN 19 2HB GLN 19 18.407 -14.223 18.600 128 HB3 GLN 19 3HB GLN 19 18.844 -12.640 17.971 129 HG2 GLN 19 2HG GLN 19 17.256 -12.784 20.479 130 HG3 GLN 19 3HG GLN 19 18.973 -13.183 20.535 131 HE21 GLN 19 1HE2 GLN 19 16.627 -10.687 19.891 132 HE22 GLN 19 2HE2 GLN 19 17.722 -9.355 19.992 133 H GLU 20 H GLU 20 16.725 -15.037 16.384 134 HA GLU 20 HA GLU 20 17.710 -13.704 14.048 135 HB2 GLU 20 2HB GLU 20 16.869 -16.473 14.742 136 HB3 GLU 20 3HB GLU 20 16.869 -16.026 13.042 137 HG2 GLU 20 2HG GLU 20 19.154 -15.731 12.979 138 HG3 GLU 20 3HG GLU 20 19.273 -15.475 14.719 139 H SER 21 H SER 21 14.570 -14.662 15.263 140 HA SER 21 HA SER 21 13.114 -14.350 12.864 141 HB2 SER 21 2HB SER 21 12.244 -15.553 14.845 142 HB3 SER 21 3HB SER 21 12.136 -14.020 15.711 143 HG SER 21 HG SER 21 10.137 -14.601 14.779 144 H ILE 22 H ILE 22 13.623 -12.142 15.608 145 HA ILE 22 HA ILE 22 12.139 -9.985 14.703 146 HB ILE 22 HB ILE 22 14.725 -9.900 16.261 147 HG12 ILE 22 2HG1 ILE 22 12.943 -11.277 17.295 148 HG13 ILE 22 3HG1 ILE 22 13.311 -9.838 18.240 149 HG21 ILE 22 1HG2 ILE 22 14.305 -7.722 15.405 150 HG22 ILE 22 2HG2 ILE 22 12.593 -7.826 15.808 151 HG23 ILE 22 3HG2 ILE 22 13.796 -7.720 17.093 152 HD11 ILE 22 3HD1 ILE 22 11.210 -9.164 18.129 153 HD12 ILE 22 1HD1 ILE 22 11.202 -9.295 16.370 154 HD13 ILE 22 2HD1 ILE 22 10.814 -10.702 17.361 155 H SER 23 H SER 23 15.556 -10.735 14.080 156 HA SER 23 HA SER 23 15.990 -8.446 12.438 157 HB2 SER 23 2HB SER 23 17.789 -9.715 13.659 158 HB3 SER 23 3HB SER 23 17.602 -11.006 12.472 159 HG SER 23 HG SER 23 18.570 -9.815 11.003 160 H SER 24 H SER 24 14.952 -11.735 11.859 161 HA SER 24 HA SER 24 15.370 -11.907 9.108 162 HB2 SER 24 2HB SER 24 14.713 -13.831 10.494 163 HB3 SER 24 3HB SER 24 13.117 -13.118 10.730 164 HG SER 24 HG SER 24 14.208 -14.352 8.485 165 H ALA 25 H ALA 25 12.539 -10.724 10.897 166 HA ALA 25 HA ALA 25 11.193 -9.932 8.464 167 HB1 ALA 25 1HB ALA 25 9.559 -10.492 9.916 168 HB2 ALA 25 2HB ALA 25 10.516 -10.058 11.332 169 HB3 ALA 25 3HB ALA 25 9.706 -8.802 10.396 170 H SER 26 H SER 26 12.921 -8.374 11.117 171 HA SER 26 HA SER 26 12.318 -5.714 10.554 172 HB2 SER 26 2HB SER 26 14.736 -7.020 11.793 173 HB3 SER 26 3HB SER 26 14.617 -5.269 11.617 174 HG SER 26 HG SER 26 13.810 -6.375 13.648 175 H LYS 27 H LYS 27 14.904 -7.772 9.276 176 HA LYS 27 HA LYS 27 16.267 -5.863 7.776 177 HB2 LYS 27 2HB LYS 27 17.357 -7.634 6.737 178 HB3 LYS 27 3HB LYS 27 16.830 -8.352 8.253 179 HG2 LYS 27 2HG LYS 27 14.742 -9.065 6.863 180 HG3 LYS 27 3HG LYS 27 15.818 -8.809 5.487 181 HD2 LYS 27 2HD LYS 27 17.323 -10.264 7.337 182 HD3 LYS 27 3HD LYS 27 15.719 -11.002 7.361 183 HE2 LYS 27 2HE LYS 27 15.862 -11.016 4.822 184 HE3 LYS 27 3HE LYS 27 17.571 -10.631 5.019 185 HZ1 LYS 27 3HZ LYS 27 16.354 -13.135 5.139 186 HZ2 LYS 27 1HZ LYS 27 16.922 -12.789 6.695 187 HZ3 LYS 27 2HZ LYS 27 17.986 -12.760 5.380 188 H TRP 28 H TRP 28 13.303 -7.592 7.100 189 HA TRP 28 HA TRP 28 13.183 -6.842 4.337 190 HB2 TRP 28 2HB TRP 28 12.048 -8.857 5.167 191 HB3 TRP 28 3HB TRP 28 11.008 -7.858 6.179 192 HD1 TRP 28 HD1 TRP 28 11.865 -7.874 2.379 193 HE1 TRP 28 HE1 TRP 28 9.658 -7.615 1.080 194 HE3 TRP 28 HE3 TRP 28 8.626 -7.606 6.326 195 HZ2 TRP 28 HZ2 TRP 28 6.908 -7.333 1.652 196 HZ3 TRP 28 HZ3 TRP 28 6.224 -7.341 5.864 197 HH2 TRP 28 HH2 TRP 28 5.385 -7.208 3.575 198 H LEU 29 H LEU 29 11.516 -5.752 7.285 199 HA LEU 29 HA LEU 29 9.908 -3.796 6.140 200 HB2 LEU 29 2HB LEU 29 11.119 -4.140 8.852 201 HB3 LEU 29 3HB LEU 29 10.223 -2.673 8.466 202 HG LEU 29 HG LEU 29 8.878 -5.258 7.922 203 HD11 LEU 29 1HD1 LEU 29 8.667 -5.972 10.032 204 HD12 LEU 29 2HD1 LEU 29 8.540 -4.336 10.677 205 HD13 LEU 29 3HD1 LEU 29 10.125 -5.027 10.334 206 HD21 LEU 29 3HD2 LEU 29 7.250 -3.778 7.604 207 HD22 LEU 29 1HD2 LEU 29 8.218 -2.473 8.289 208 HD23 LEU 29 2HD2 LEU 29 7.252 -3.503 9.347 209 H LEU 30 H LEU 30 13.296 -3.704 7.036 210 HA LEU 30 HA LEU 30 13.748 -0.957 6.964 211 HB2 LEU 30 2HB LEU 30 15.286 -3.238 7.250 212 HB3 LEU 30 3HB LEU 30 15.910 -2.496 5.778 213 HG LEU 30 HG LEU 30 17.254 -1.734 7.580 214 HD11 LEU 30 1HD1 LEU 30 16.840 0.690 7.552 215 HD12 LEU 30 2HD1 LEU 30 15.259 0.397 6.828 216 HD13 LEU 30 3HD1 LEU 30 16.725 -0.030 5.946 217 HD21 LEU 30 3HD2 LEU 30 16.370 -0.680 9.571 218 HD22 LEU 30 1HD2 LEU 30 15.678 -2.293 9.390 219 HD23 LEU 30 2HD2 LEU 30 14.721 -0.871 8.973 220 H LEU 31 H LEU 31 13.447 -3.287 4.362 221 HA LEU 31 HA LEU 31 14.163 -1.291 2.363 222 HB2 LEU 31 2HB LEU 31 13.211 -4.089 1.836 223 HB3 LEU 31 3HB LEU 31 14.161 -3.042 0.784 224 HG LEU 31 HG LEU 31 15.158 -4.279 3.350 225 HD11 LEU 31 1HD1 LEU 31 15.236 -6.143 2.108 226 HD12 LEU 31 2HD1 LEU 31 16.621 -5.369 1.339 227 HD13 LEU 31 3HD1 LEU 31 15.027 -5.265 0.592 228 HD21 LEU 31 3HD2 LEU 31 16.347 -2.270 2.937 229 HD22 LEU 31 1HD2 LEU 31 16.474 -2.618 1.213 230 HD23 LEU 31 2HD2 LEU 31 17.376 -3.589 2.377 231 H GLN 32 H GLN 32 11.604 -1.454 4.105 232 HA GLN 32 HA GLN 32 9.696 -1.187 1.875 233 HB2 GLN 32 2HB GLN 32 9.257 -2.105 4.715 234 HB3 GLN 32 3HB GLN 32 7.938 -1.651 3.644 235 HG2 GLN 32 2HG GLN 32 9.870 -3.929 3.321 236 HG3 GLN 32 3HG GLN 32 8.129 -4.012 3.588 237 HE21 GLN 32 1HE2 GLN 32 10.506 -4.237 1.321 238 HE22 GLN 32 2HE2 GLN 32 9.569 -3.959 -0.104 239 H TYR 33 H TYR 33 11.515 0.833 3.052 240 HA TYR 33 HA TYR 33 10.228 2.607 4.758 241 HB2 TYR 33 2HB TYR 33 11.678 4.363 3.598 242 HB3 TYR 33 3HB TYR 33 12.516 2.999 4.329 243 HD1 TYR 33 HD2 TYR 33 11.293 4.345 1.095 244 HD2 TYR 33 HD1 TYR 33 13.904 1.603 3.037 245 HE1 TYR 33 HE2 TYR 33 12.389 3.875 -1.056 246 HE2 TYR 33 HE1 TYR 33 15.008 1.126 0.891 247 HH TYR 33 HH TYR 33 13.913 1.501 -1.865 248 H ARG 34 H ARG 34 9.685 1.954 1.403 249 HA ARG 34 HA ARG 34 8.420 4.343 0.639 250 HB2 ARG 34 2HB ARG 34 8.155 1.506 -0.347 251 HB3 ARG 34 3HB ARG 34 7.278 2.843 -1.079 252 HG2 ARG 34 2HG ARG 34 10.212 3.132 -0.764 253 HG3 ARG 34 3HG ARG 34 9.617 2.016 -1.995 254 HD2 ARG 34 2HD ARG 34 9.626 3.893 -3.260 255 HD3 ARG 34 3HD ARG 34 8.041 4.110 -2.519 256 HE ARG 34 HE ARG 34 10.193 5.290 -1.022 257 HH11 ARG 34 1HH1 ARG 34 7.899 5.758 -3.598 258 HH12 ARG 34 2HH1 ARG 34 7.919 7.486 -3.477 259 HH21 ARG 34 1HH2 ARG 34 10.228 7.564 -0.853 260 HH22 ARG 34 2HH2 ARG 34 9.245 8.512 -1.917 261 H ASP 35 H ASP 35 7.328 1.634 2.514 262 HA ASP 35 HA ASP 35 4.580 2.681 2.488 263 HB2 ASP 35 2HB ASP 35 5.328 0.062 3.739 264 HB3 ASP 35 3HB ASP 35 3.800 0.555 3.012 265 H ALA 36 H ALA 36 6.440 4.141 3.922 266 HA ALA 36 HA ALA 36 6.848 3.517 6.580 267 HB1 ALA 36 1HB ALA 36 7.817 5.509 6.518 268 HB2 ALA 36 2HB ALA 36 7.074 5.822 4.948 269 HB3 ALA 36 3HB ALA 36 6.237 6.289 6.428 270 HA PRO 37 HA PRO 37 2.653 5.591 7.756 271 HB2 PRO 37 2HB PRO 37 0.970 6.263 5.734 272 HB3 PRO 37 3HB PRO 37 2.204 7.362 6.362 273 HG2 PRO 37 2HG PRO 37 2.277 5.630 3.922 274 HG3 PRO 37 3HG PRO 37 2.814 7.308 4.119 275 HD2 PRO 37 2HD PRO 37 4.534 5.217 4.134 276 HD3 PRO 37 3HD PRO 37 4.811 6.687 5.089 277 H LYS 38 H LYS 38 2.526 3.619 4.814 278 HA LYS 38 HA LYS 38 0.067 2.365 5.283 279 HB2 LYS 38 2HB LYS 38 2.418 1.889 3.576 280 HB3 LYS 38 3HB LYS 38 1.492 0.445 3.962 281 HG2 LYS 38 2HG LYS 38 0.233 2.940 2.859 282 HG3 LYS 38 3HG LYS 38 0.858 1.641 1.839 283 HD2 LYS 38 2HD LYS 38 -0.784 0.168 2.475 284 HD3 LYS 38 3HD LYS 38 -1.027 0.948 4.040 285 HE2 LYS 38 2HE LYS 38 -1.746 2.331 1.478 286 HE3 LYS 38 3HE LYS 38 -2.856 1.197 2.245 287 HZ1 LYS 38 3HZ LYS 38 -3.474 3.244 3.101 288 HZ2 LYS 38 1HZ LYS 38 -1.881 3.791 3.257 289 HZ3 LYS 38 2HZ LYS 38 -2.481 2.621 4.321 290 H VAL 39 H VAL 39 3.354 1.166 5.980 291 HA VAL 39 HA VAL 39 2.535 -1.157 7.336 292 HB VAL 39 HB VAL 39 5.101 0.408 7.638 293 HG11 VAL 39 1HG1 VAL 39 5.546 -2.304 8.149 294 HG12 VAL 39 2HG1 VAL 39 5.582 -0.976 9.310 295 HG13 VAL 39 3HG1 VAL 39 4.092 -1.885 9.054 296 HG21 VAL 39 3HG2 VAL 39 5.970 -0.758 5.876 297 HG22 VAL 39 1HG2 VAL 39 4.900 -2.139 6.119 298 HG23 VAL 39 2HG2 VAL 39 4.285 -0.668 5.364 299 H ALA 40 H ALA 40 3.131 2.129 8.439 300 HA ALA 40 HA ALA 40 3.102 1.629 11.208 301 HB1 ALA 40 1HB ALA 40 2.822 4.004 9.473 302 HB2 ALA 40 2HB ALA 40 2.187 4.145 11.112 303 HB3 ALA 40 3HB ALA 40 3.880 3.724 10.856 304 H GLU 41 H GLU 41 0.501 2.581 8.978 305 HA GLU 41 HA GLU 41 -1.535 2.679 10.932 306 HB2 GLU 41 2HB GLU 41 -1.524 3.623 8.528 307 HB3 GLU 41 3HB GLU 41 -2.026 2.010 8.042 308 HG2 GLU 41 2HG GLU 41 -4.039 2.165 9.284 309 HG3 GLU 41 3HG GLU 41 -3.503 3.640 10.086 310 H MET 42 H MET 42 -0.544 0.133 8.664 311 HA MET 42 HA MET 42 -2.514 -1.739 9.388 312 HB2 MET 42 2HB MET 42 -0.670 -1.658 7.443 313 HB3 MET 42 3HB MET 42 0.158 -2.736 8.558 314 HG2 MET 42 2HG MET 42 -2.632 -3.166 7.518 315 HG3 MET 42 3HG MET 42 -1.181 -3.907 6.846 316 HE1 MET 42 3HE MET 42 0.173 -5.447 7.701 317 HE2 MET 42 1HE MET 42 0.492 -5.426 9.435 318 HE3 MET 42 2HE MET 42 -0.380 -6.780 8.716 319 H TRP 43 H TRP 43 0.853 -1.373 10.481 320 HA TRP 43 HA TRP 43 0.883 -3.522 12.270 321 HB2 TRP 43 2HB TRP 43 2.901 -2.293 11.520 322 HB3 TRP 43 3HB TRP 43 2.403 -0.916 12.499 323 HD1 TRP 43 HD1 TRP 43 3.761 -4.490 12.842 324 HE1 TRP 43 HE1 TRP 43 4.755 -4.761 15.200 325 HE3 TRP 43 HE3 TRP 43 2.296 -0.026 14.858 326 HZ2 TRP 43 HZ2 TRP 43 4.899 -3.279 17.598 327 HZ3 TRP 43 HZ3 TRP 43 2.902 0.469 17.191 328 HH2 TRP 43 HH2 TRP 43 4.176 -1.125 18.531 329 H LYS 44 H LYS 44 0.027 -0.119 12.783 330 HA LYS 44 HA LYS 44 -0.392 -0.252 15.550 331 HB2 LYS 44 2HB LYS 44 -0.236 1.845 14.205 332 HB3 LYS 44 3HB LYS 44 -1.843 1.515 13.571 333 HG2 LYS 44 2HG LYS 44 -2.560 1.462 16.050 334 HG3 LYS 44 3HG LYS 44 -1.031 2.295 16.341 335 HD2 LYS 44 2HD LYS 44 -1.687 4.182 15.181 336 HD3 LYS 44 3HD LYS 44 -2.877 3.303 14.218 337 HE2 LYS 44 2HE LYS 44 -4.336 3.105 16.133 338 HE3 LYS 44 3HE LYS 44 -3.122 3.845 17.175 339 HZ1 LYS 44 3HZ LYS 44 -4.609 5.552 16.672 340 HZ2 LYS 44 1HZ LYS 44 -4.726 5.115 15.041 341 HZ3 LYS 44 2HZ LYS 44 -3.309 5.830 15.626 342 H GLU 45 H GLU 45 -2.863 -0.277 12.971 343 HA GLU 45 HA GLU 45 -5.051 -0.872 14.557 344 HB2 GLU 45 2HB GLU 45 -4.393 -1.272 11.679 345 HB3 GLU 45 3HB GLU 45 -5.808 -2.097 12.317 346 HG2 GLU 45 2HG GLU 45 -5.391 0.845 12.703 347 HG3 GLU 45 3HG GLU 45 -6.145 0.190 11.251 348 H TYR 46 H TYR 46 -2.648 -3.031 13.165 349 HA TYR 46 HA TYR 46 -3.984 -5.452 13.801 350 HB2 TYR 46 2HB TYR 46 -2.295 -5.544 12.127 351 HB3 TYR 46 3HB TYR 46 -1.102 -4.802 13.187 352 HD1 TYR 46 HD2 TYR 46 -2.872 -7.899 12.352 353 HD2 TYR 46 HD1 TYR 46 0.042 -6.107 14.882 354 HE1 TYR 46 HE2 TYR 46 -2.102 -10.132 13.036 355 HE2 TYR 46 HE1 TYR 46 0.821 -8.335 15.572 356 HH TYR 46 HH TYR 46 0.800 -10.636 14.729 357 H MET 47 H MET 47 -1.597 -3.472 15.488 358 HA MET 47 HA MET 47 -1.249 -5.311 17.650 359 HB2 MET 47 2HB MET 47 -0.553 -2.384 17.368 360 HB3 MET 47 3HB MET 47 -0.109 -3.371 18.755 361 HG2 MET 47 2HG MET 47 0.667 -4.227 16.004 362 HG3 MET 47 3HG MET 47 1.592 -2.983 16.842 363 HE1 MET 47 3HE MET 47 2.487 -3.093 18.950 364 HE2 MET 47 1HE MET 47 2.113 -4.364 20.115 365 HE3 MET 47 2HE MET 47 3.646 -4.390 19.244 366 H LEU 48 H LEU 48 -3.551 -2.878 16.873 367 HA LEU 48 HA LEU 48 -4.534 -2.779 19.634 368 HB2 LEU 48 2HB LEU 48 -5.382 -1.162 17.236 369 HB3 LEU 48 3HB LEU 48 -5.916 -0.919 18.898 370 HG LEU 48 HG LEU 48 -3.068 -0.581 17.965 371 HD11 LEU 48 1HD1 LEU 48 -3.429 1.761 17.921 372 HD12 LEU 48 2HD1 LEU 48 -5.055 1.592 18.582 373 HD13 LEU 48 3HD1 LEU 48 -4.706 1.031 16.947 374 HD21 LEU 48 3HD2 LEU 48 -2.602 -0.532 20.133 375 HD22 LEU 48 1HD2 LEU 48 -4.306 -0.722 20.545 376 HD23 LEU 48 2HD2 LEU 48 -3.636 0.889 20.290 377 H ARG 49 H ARG 49 -4.845 -5.170 18.084 378 HA ARG 49 HA ARG 49 -7.780 -5.226 17.814 379 HB2 ARG 49 2HB ARG 49 -5.632 -6.419 16.131 380 HB3 ARG 49 3HB ARG 49 -7.117 -7.338 16.336 381 HG2 ARG 49 2HG ARG 49 -8.414 -5.702 15.292 382 HG3 ARG 49 3HG ARG 49 -7.164 -4.470 15.474 383 HD2 ARG 49 2HD ARG 49 -5.970 -5.221 13.682 384 HD3 ARG 49 3HD ARG 49 -6.490 -6.891 13.898 385 HE ARG 49 HE ARG 49 -8.751 -5.565 13.139 386 HH11 ARG 49 1HH1 ARG 49 -5.558 -5.955 11.808 387 HH12 ARG 49 2HH1 ARG 49 -6.085 -5.819 10.163 388 HH21 ARG 49 1HH2 ARG 49 -9.457 -5.384 10.977 389 HH22 ARG 49 2HH2 ARG 49 -8.303 -5.493 9.692 390 HA PRO 50 HA PRO 50 -7.885 -8.295 20.954 391 HB2 PRO 50 2HB PRO 50 -10.087 -9.695 20.205 392 HB3 PRO 50 3HB PRO 50 -10.172 -8.076 20.908 393 HG2 PRO 50 2HG PRO 50 -10.324 -8.903 18.035 394 HG3 PRO 50 3HG PRO 50 -11.301 -7.709 18.909 395 HD2 PRO 50 2HD PRO 50 -9.236 -7.008 17.305 396 HD3 PRO 50 3HD PRO 50 -9.678 -6.080 18.752 397 H SER 51 H SER 51 -8.267 -9.467 17.625 398 HA SER 51 HA SER 51 -7.853 -12.163 17.980 399 HB2 SER 51 2HB SER 51 -7.007 -10.336 15.731 400 HB3 SER 51 3HB SER 51 -6.799 -12.085 15.658 401 HG SER 51 HG SER 51 -9.178 -12.048 16.247 402 H VAL 52 H VAL 52 -5.377 -9.653 17.521 403 HA VAL 52 HA VAL 52 -3.152 -11.373 17.677 404 HB VAL 52 HB VAL 52 -3.267 -8.447 18.420 405 HG11 VAL 52 1HG1 VAL 52 -0.919 -10.070 17.457 406 HG12 VAL 52 2HG1 VAL 52 -0.910 -8.403 18.035 407 HG13 VAL 52 3HG1 VAL 52 -1.246 -9.724 19.155 408 HG21 VAL 52 3HG2 VAL 52 -2.330 -8.247 16.024 409 HG22 VAL 52 1HG2 VAL 52 -3.022 -9.852 15.785 410 HG23 VAL 52 2HG2 VAL 52 -4.063 -8.501 16.233 411 H ASN 53 H ASN 53 -2.283 -12.407 19.344 412 HA ASN 53 HA ASN 53 -3.306 -11.962 22.011 413 HB2 ASN 53 2HB ASN 53 -1.363 -13.965 20.856 414 HB3 ASN 53 3HB ASN 53 -1.751 -13.891 22.573 415 HD21 ASN 53 1HD2 ASN 53 -3.952 -14.251 23.206 416 HD22 ASN 53 2HD2 ASN 53 -4.976 -15.246 22.233 417 H THR 54 H THR 54 -1.596 -12.096 23.839 418 HA THR 54 HA THR 54 -0.143 -9.724 23.873 419 HB THR 54 HB THR 54 1.165 -11.041 25.785 420 HG1 THR 54 HG1 THR 54 -0.611 -12.571 26.584 421 HG21 THR 54 3HG2 THR 54 -0.188 -9.914 27.193 422 HG22 THR 54 1HG2 THR 54 -1.650 -10.650 26.538 423 HG23 THR 54 2HG2 THR 54 -0.908 -9.280 25.713 424 H ARG 55 H ARG 55 1.014 -13.050 23.366 425 HA ARG 55 HA ARG 55 3.723 -12.578 23.174 426 HB2 ARG 55 2HB ARG 55 2.404 -14.797 23.044 427 HB3 ARG 55 3HB ARG 55 2.335 -14.488 21.314 428 HG2 ARG 55 2HG ARG 55 4.766 -14.460 21.207 429 HG3 ARG 55 3HG ARG 55 4.852 -14.731 22.949 430 HD2 ARG 55 2HD ARG 55 3.273 -16.642 21.309 431 HD3 ARG 55 3HD ARG 55 5.032 -16.720 21.208 432 HE ARG 55 HE ARG 55 4.208 -16.658 23.911 433 HH11 ARG 55 1HH1 ARG 55 4.318 -18.755 21.133 434 HH12 ARG 55 2HH1 ARG 55 4.393 -20.209 22.071 435 HH21 ARG 55 1HH2 ARG 55 4.306 -18.566 25.157 436 HH22 ARG 55 2HH2 ARG 55 4.385 -20.101 24.360 437 H ARG 56 H ARG 56 1.397 -12.630 20.469 438 HA ARG 56 HA ARG 56 3.139 -11.890 18.444 439 HB2 ARG 56 2HB ARG 56 0.190 -11.554 18.847 440 HB3 ARG 56 3HB ARG 56 0.966 -10.812 17.454 441 HG2 ARG 56 2HG ARG 56 1.347 -12.797 16.432 442 HG3 ARG 56 3HG ARG 56 1.555 -13.667 17.953 443 HD2 ARG 56 2HD ARG 56 -0.456 -14.477 17.037 444 HD3 ARG 56 3HD ARG 56 -0.937 -13.351 18.305 445 HE ARG 56 HE ARG 56 -0.913 -11.806 16.086 446 HH11 ARG 56 1HH1 ARG 56 -2.399 -14.857 16.861 447 HH12 ARG 56 2HH1 ARG 56 -3.752 -14.615 15.807 448 HH21 ARG 56 1HH2 ARG 56 -2.690 -11.475 14.694 449 HH22 ARG 56 2HH2 ARG 56 -3.916 -12.691 14.574 450 H LYS 57 H LYS 57 1.404 -9.883 20.760 451 HA LYS 57 HA LYS 57 2.029 -7.389 19.571 452 HB2 LYS 57 2HB LYS 57 1.446 -7.956 22.482 453 HB3 LYS 57 3HB LYS 57 1.302 -6.405 21.665 454 HG2 LYS 57 2HG LYS 57 -0.268 -8.370 20.295 455 HG3 LYS 57 3HG LYS 57 -0.675 -8.359 22.012 456 HD2 LYS 57 2HD LYS 57 -0.915 -5.875 21.856 457 HD3 LYS 57 3HD LYS 57 -0.705 -6.020 20.109 458 HE2 LYS 57 2HE LYS 57 -2.854 -6.523 19.867 459 HE3 LYS 57 3HE LYS 57 -2.682 -7.891 20.965 460 HZ1 LYS 57 3HZ LYS 57 -3.968 -6.786 22.371 461 HZ2 LYS 57 1HZ LYS 57 -3.950 -5.395 21.409 462 HZ3 LYS 57 2HZ LYS 57 -2.736 -5.642 22.560 463 H LEU 58 H LEU 58 3.437 -9.046 22.399 464 HA LEU 58 HA LEU 58 5.448 -7.265 22.998 465 HB2 LEU 58 2HB LEU 58 4.890 -9.222 24.356 466 HB3 LEU 58 3HB LEU 58 5.578 -10.275 23.122 467 HG LEU 58 HG LEU 58 6.954 -9.762 25.242 468 HD11 LEU 58 1HD1 LEU 58 8.923 -10.174 24.080 469 HD12 LEU 58 2HD1 LEU 58 8.412 -9.229 22.682 470 HD13 LEU 58 3HD1 LEU 58 7.677 -10.800 23.000 471 HD21 LEU 58 3HD2 LEU 58 6.491 -7.209 24.738 472 HD22 LEU 58 1HD2 LEU 58 7.942 -7.389 23.751 473 HD23 LEU 58 2HD2 LEU 58 8.000 -7.748 25.477 474 H LEU 59 H LEU 59 5.475 -9.866 20.598 475 HA LEU 59 HA LEU 59 8.184 -9.514 19.829 476 HB2 LEU 59 2HB LEU 59 5.862 -10.739 18.348 477 HB3 LEU 59 3HB LEU 59 7.546 -10.843 17.839 478 HG LEU 59 HG LEU 59 6.353 -12.041 20.338 479 HD11 LEU 59 1HD1 LEU 59 7.241 -13.188 17.709 480 HD12 LEU 59 2HD1 LEU 59 5.682 -13.359 18.515 481 HD13 LEU 59 3HD1 LEU 59 7.106 -14.167 19.170 482 HD21 LEU 59 3HD2 LEU 59 8.586 -13.085 20.594 483 HD22 LEU 59 1HD2 LEU 59 8.608 -11.333 20.792 484 HD23 LEU 59 2HD2 LEU 59 9.180 -12.058 19.289 485 H GLY 60 H GLY 60 5.111 -8.364 18.464 486 HA2 GLY 60 2HA GLY 60 6.068 -7.097 16.192 487 HA3 GLY 60 3HA GLY 60 4.651 -6.580 17.094 488 H LEU 61 H LEU 61 5.817 -5.796 19.485 489 HA LEU 61 HA LEU 61 6.611 -3.180 18.914 490 HB2 LEU 61 2HB LEU 61 5.702 -4.281 21.095 491 HB3 LEU 61 3HB LEU 61 7.409 -4.526 21.460 492 HG LEU 61 HG LEU 61 7.619 -1.978 21.057 493 HD11 LEU 61 1HD1 LEU 61 4.780 -2.381 20.751 494 HD12 LEU 61 2HD1 LEU 61 5.752 -0.942 20.448 495 HD13 LEU 61 3HD1 LEU 61 5.128 -1.259 22.066 496 HD21 LEU 61 3HD2 LEU 61 7.017 -1.538 23.399 497 HD22 LEU 61 1HD2 LEU 61 7.936 -3.032 23.218 498 HD23 LEU 61 2HD2 LEU 61 6.191 -3.096 23.468 499 H TYR 62 H TYR 62 8.548 -6.010 19.826 500 HA TYR 62 HA TYR 62 11.036 -4.672 19.860 501 HB2 TYR 62 2HB TYR 62 10.131 -7.501 19.837 502 HB3 TYR 62 3HB TYR 62 11.790 -7.193 19.338 503 HD1 TYR 62 HD2 TYR 62 13.170 -5.647 20.962 504 HD2 TYR 62 HD1 TYR 62 9.681 -7.807 22.086 505 HE1 TYR 62 HE2 TYR 62 13.861 -5.525 23.319 506 HE2 TYR 62 HE1 TYR 62 10.363 -7.691 24.447 507 HH TYR 62 HH TYR 62 13.433 -6.866 25.435 508 H LEU 63 H LEU 63 9.144 -6.128 17.313 509 HA LEU 63 HA LEU 63 11.204 -6.255 15.364 510 HB2 LEU 63 2HB LEU 63 9.086 -7.533 15.261 511 HB3 LEU 63 3HB LEU 63 8.227 -6.026 14.946 512 HG LEU 63 HG LEU 63 9.636 -5.804 12.860 513 HD11 LEU 63 1HD1 LEU 63 10.159 -8.737 13.206 514 HD12 LEU 63 2HD1 LEU 63 11.321 -7.518 13.729 515 HD13 LEU 63 3HD1 LEU 63 10.853 -7.618 12.032 516 HD21 LEU 63 3HD2 LEU 63 7.833 -8.215 13.033 517 HD22 LEU 63 1HD2 LEU 63 8.235 -7.303 11.579 518 HD23 LEU 63 2HD2 LEU 63 7.287 -6.546 12.860 519 H MET 64 H MET 64 8.489 -3.971 15.755 520 HA MET 64 HA MET 64 9.332 -2.186 13.754 521 HB2 MET 64 2HB MET 64 7.652 -0.737 14.519 522 HB3 MET 64 3HB MET 64 7.049 -2.342 14.909 523 HG2 MET 64 2HG MET 64 6.623 -1.382 16.894 524 HG3 MET 64 3HG MET 64 8.311 -1.787 17.198 525 HE1 MET 64 3HE MET 64 7.030 -0.103 18.930 526 HE2 MET 64 1HE MET 64 7.759 1.500 19.031 527 HE3 MET 64 2HE MET 64 6.204 1.288 18.226 528 H ASN 65 H ASN 65 10.214 -2.526 17.114 529 HA ASN 65 HA ASN 65 11.439 0.020 17.415 530 HB2 ASN 65 2HB ASN 65 10.686 -1.528 19.280 531 HB3 ASN 65 3HB ASN 65 12.131 -2.482 18.957 532 HD21 ASN 65 1HD2 ASN 65 12.879 -2.061 21.053 533 HD22 ASN 65 2HD2 ASN 65 13.563 -0.532 21.476 534 H HIS 66 H HIS 66 12.718 -3.215 16.693 535 HA HIS 66 HA HIS 66 15.426 -2.447 16.524 536 HB2 HIS 66 2HB HIS 66 14.470 -4.807 16.722 537 HB3 HIS 66 3HB HIS 66 14.185 -4.725 14.986 538 HD1 HIS 66 HD1 HIS 66 17.264 -3.524 16.846 539 HD2 HIS 66 HD2 HIS 66 16.131 -6.394 14.064 540 HE1 HIS 66 HE1 HIS 66 19.403 -4.606 16.087 541 H VAL 67 H VAL 67 12.831 -2.563 14.144 542 HA VAL 67 HA VAL 67 14.437 -2.079 11.864 543 HB VAL 67 HB VAL 67 11.515 -1.422 12.270 544 HG11 VAL 67 1HG1 VAL 67 11.371 -1.515 9.834 545 HG12 VAL 67 2HG1 VAL 67 12.501 -0.264 10.357 546 HG13 VAL 67 3HG1 VAL 67 13.109 -1.799 9.737 547 HG21 VAL 67 3HG2 VAL 67 12.810 -3.922 12.219 548 HG22 VAL 67 1HG2 VAL 67 11.078 -3.597 12.159 549 HG23 VAL 67 2HG2 VAL 67 12.001 -3.741 10.663 550 H VAL 68 H VAL 68 12.375 0.110 13.781 551 HA VAL 68 HA VAL 68 13.006 2.468 12.428 552 HB VAL 68 HB VAL 68 12.258 2.103 15.332 553 HG11 VAL 68 1HG1 VAL 68 13.299 4.263 15.016 554 HG12 VAL 68 2HG1 VAL 68 12.267 4.588 13.623 555 HG13 VAL 68 3HG1 VAL 68 11.562 4.466 15.235 556 HG21 VAL 68 3HG2 VAL 68 10.095 2.018 14.709 557 HG22 VAL 68 1HG2 VAL 68 10.321 3.174 13.396 558 HG23 VAL 68 2HG2 VAL 68 10.758 1.482 13.165 559 H GLN 69 H GLN 69 14.579 0.923 15.197 560 HA GLN 69 HA GLN 69 16.386 2.931 15.856 561 HB2 GLN 69 2HB GLN 69 16.268 -0.009 16.227 562 HB3 GLN 69 3HB GLN 69 17.845 0.744 16.426 563 HG2 GLN 69 2HG GLN 69 16.695 2.359 18.018 564 HG3 GLN 69 3HG GLN 69 15.333 1.241 17.984 565 HE21 GLN 69 1HE2 GLN 69 15.437 0.528 20.048 566 HE22 GLN 69 2HE2 GLN 69 16.765 -0.365 20.699 567 H GLN 70 H GLN 70 16.723 0.281 13.519 568 HA GLN 70 HA GLN 70 19.363 0.958 12.733 569 HB2 GLN 70 2HB GLN 70 17.203 -0.731 11.494 570 HB3 GLN 70 3HB GLN 70 18.741 -0.467 10.685 571 HG2 GLN 70 2HG GLN 70 18.615 -1.509 13.489 572 HG3 GLN 70 3HG GLN 70 18.458 -2.579 12.096 573 HE21 GLN 70 1HE2 GLN 70 20.225 -1.893 10.345 574 HE22 GLN 70 2HE2 GLN 70 21.833 -1.869 10.976 575 H ALA 71 H ALA 71 16.193 2.004 11.720 576 HA ALA 71 HA ALA 71 16.677 3.070 9.227 577 HB1 ALA 71 1HB ALA 71 15.045 4.900 10.702 578 HB2 ALA 71 2HB ALA 71 14.575 3.736 9.463 579 HB3 ALA 71 3HB ALA 71 14.638 3.245 11.156 580 H LYS 72 H LYS 72 17.657 4.280 12.354 581 HA LYS 72 HA LYS 72 18.279 6.921 11.673 582 HB2 LYS 72 2HB LYS 72 19.083 5.031 13.812 583 HB3 LYS 72 3HB LYS 72 20.137 6.416 13.553 584 HG2 LYS 72 2HG LYS 72 17.837 7.720 13.625 585 HG3 LYS 72 3HG LYS 72 17.353 6.308 14.569 586 HD2 LYS 72 2HD LYS 72 19.801 7.970 15.152 587 HD3 LYS 72 3HD LYS 72 18.235 8.215 15.928 588 HE2 LYS 72 2HE LYS 72 18.402 6.313 17.172 589 HE3 LYS 72 3HE LYS 72 19.363 5.472 15.957 590 HZ1 LYS 72 3HZ LYS 72 21.094 5.900 17.261 591 HZ2 LYS 72 1HZ LYS 72 20.226 6.995 18.215 592 HZ3 LYS 72 2HZ LYS 72 20.966 7.519 16.787 593 H GLY 73 H GLY 73 20.130 3.939 11.323 594 HA2 GLY 73 2HA GLY 73 22.488 5.332 10.391 595 HA3 GLY 73 3HA GLY 73 22.267 3.591 10.475 596 H GLN 74 H GLN 74 19.660 3.928 8.976 597 HA GLN 74 HA GLN 74 20.855 3.798 6.328 598 HB2 GLN 74 2HB GLN 74 18.224 2.985 7.504 599 HB3 GLN 74 3HB GLN 74 18.367 3.191 5.763 600 HG2 GLN 74 2HG GLN 74 18.679 0.867 6.451 601 HG3 GLN 74 3HG GLN 74 20.116 1.529 5.673 602 HE21 GLN 74 1HE2 GLN 74 18.865 -0.002 8.411 603 HE22 GLN 74 2HE2 GLN 74 20.283 0.055 9.396 604 H LYS 75 H LYS 75 20.033 6.293 8.072 605 HA LYS 75 HA LYS 75 19.327 8.421 7.685 606 HB2 LYS 75 2HB LYS 75 19.591 7.772 4.750 607 HB3 LYS 75 3HB LYS 75 19.735 9.346 5.521 608 HG2 LYS 75 2HG LYS 75 21.646 7.037 5.802 609 HG3 LYS 75 3HG LYS 75 21.913 8.523 4.887 610 HD2 LYS 75 2HD LYS 75 21.456 9.690 7.168 611 HD3 LYS 75 3HD LYS 75 21.832 8.106 7.849 612 HE2 LYS 75 2HE LYS 75 23.611 9.757 6.057 613 HE3 LYS 75 3HE LYS 75 23.820 9.502 7.788 614 HZ1 LYS 75 3HZ LYS 75 25.202 7.903 7.020 615 HZ2 LYS 75 1HZ LYS 75 24.364 7.694 5.565 616 HZ3 LYS 75 2HZ LYS 75 23.774 6.996 6.988 617 H ILE 76 H ILE 76 17.271 6.754 8.207 618 HA ILE 76 HA ILE 76 15.187 7.544 6.277 619 HB ILE 76 HB ILE 76 14.900 5.294 8.253 620 HG12 ILE 76 2HG1 ILE 76 16.837 4.753 6.885 621 HG13 ILE 76 3HG1 ILE 76 15.474 3.752 6.398 622 HG21 ILE 76 1HG2 ILE 76 13.306 6.458 6.090 623 HG22 ILE 76 2HG2 ILE 76 13.410 4.698 6.052 624 HG23 ILE 76 3HG2 ILE 76 12.802 5.514 7.492 625 HD11 ILE 76 3HD1 ILE 76 16.716 4.546 4.474 626 HD12 ILE 76 1HD1 ILE 76 15.084 5.215 4.487 627 HD13 ILE 76 2HD1 ILE 76 16.451 6.216 4.977 628 H ILE 77 H ILE 77 13.596 8.832 6.962 629 HA ILE 77 HA ILE 77 13.340 9.288 9.864 630 HB ILE 77 HB ILE 77 12.775 11.309 7.695 631 HG12 ILE 77 2HG1 ILE 77 15.167 10.829 7.771 632 HG13 ILE 77 3HG1 ILE 77 14.848 12.422 8.449 633 HG21 ILE 77 1HG2 ILE 77 11.472 11.874 9.548 634 HG22 ILE 77 2HG2 ILE 77 12.722 11.386 10.691 635 HG23 ILE 77 3HG2 ILE 77 12.926 12.855 9.736 636 HD11 ILE 77 3HD1 ILE 77 14.760 10.539 10.563 637 HD12 ILE 77 1HD1 ILE 77 16.218 10.241 9.617 638 HD13 ILE 77 2HD1 ILE 77 15.916 11.843 10.291 639 H GLN 78 H GLN 78 11.713 8.752 6.833 640 HA GLN 78 HA GLN 78 9.092 9.395 7.530 641 HB2 GLN 78 2HB GLN 78 10.237 8.505 5.280 642 HB3 GLN 78 3HB GLN 78 9.532 6.994 5.836 643 HG2 GLN 78 2HG GLN 78 7.969 7.990 4.374 644 HG3 GLN 78 3HG GLN 78 7.339 8.185 6.008 645 HE21 GLN 78 1HE2 GLN 78 9.643 9.953 3.964 646 HE22 GLN 78 2HE2 GLN 78 8.907 11.501 4.179 647 H PHE 79 H PHE 79 11.045 6.621 8.334 648 HA PHE 79 HA PHE 79 8.880 4.989 9.244 649 HB2 PHE 79 2HB PHE 79 11.784 4.781 9.046 650 HB3 PHE 79 3HB PHE 79 11.155 4.058 10.523 651 HD1 PHE 79 HD2 PHE 79 8.713 2.816 9.847 652 HD2 PHE 79 HD1 PHE 79 12.228 3.180 7.474 653 HE1 PHE 79 HE2 PHE 79 8.066 0.805 8.586 654 HE2 PHE 79 HE1 PHE 79 11.585 1.170 6.209 655 HZ PHE 79 HZ PHE 79 9.503 -0.021 6.765 656 H GLN 80 H GLN 80 11.300 7.033 10.840 657 HA GLN 80 HA GLN 80 10.621 6.505 13.484 658 HB2 GLN 80 2HB GLN 80 11.604 9.102 12.288 659 HB3 GLN 80 3HB GLN 80 11.619 8.705 14.001 660 HG2 GLN 80 2HG GLN 80 13.051 6.698 13.340 661 HG3 GLN 80 3HG GLN 80 13.249 7.512 11.789 662 HE21 GLN 80 1HE2 GLN 80 15.392 6.934 13.427 663 HE22 GLN 80 2HE2 GLN 80 16.061 8.408 14.031 664 H ASP 81 H ASP 81 9.299 8.927 11.259 665 HA ASP 81 HA ASP 81 7.492 10.035 13.166 666 HB2 ASP 81 2HB ASP 81 8.417 11.022 10.912 667 HB3 ASP 81 3HB ASP 81 7.012 10.219 10.216 668 H SER 82 H SER 82 7.118 7.750 10.472 669 HA SER 82 HA SER 82 4.368 7.360 10.650 670 HB2 SER 82 2HB SER 82 6.652 5.759 9.595 671 HB3 SER 82 3HB SER 82 5.100 4.944 9.794 672 HG SER 82 HG SER 82 5.357 7.414 8.437 673 H PHE 83 H PHE 83 6.950 5.375 12.103 674 HA PHE 83 HA PHE 83 5.118 3.823 13.648 675 HB2 PHE 83 2HB PHE 83 8.087 4.046 13.442 676 HB3 PHE 83 3HB PHE 83 7.408 3.274 14.871 677 HD1 PHE 83 HD2 PHE 83 5.212 1.726 13.965 678 HD2 PHE 83 HD1 PHE 83 8.916 2.470 12.004 679 HE1 PHE 83 HE2 PHE 83 4.967 -0.377 12.712 680 HE2 PHE 83 HE1 PHE 83 8.676 0.369 10.746 681 HZ PHE 83 HZ PHE 83 6.700 -1.058 11.100 682 H GLY 84 H GLY 84 6.701 6.847 14.089 683 HA2 GLY 84 2HA GLY 84 6.593 6.869 16.958 684 HA3 GLY 84 3HA GLY 84 6.925 8.244 15.916 685 H LYS 85 H LYS 85 4.445 7.843 14.377 686 HA LYS 85 HA LYS 85 2.704 9.336 16.132 687 HB2 LYS 85 2HB LYS 85 1.302 9.635 14.165 688 HB3 LYS 85 3HB LYS 85 2.980 9.983 13.772 689 HG2 LYS 85 2HG LYS 85 3.206 8.102 12.464 690 HG3 LYS 85 3HG LYS 85 1.885 7.254 13.270 691 HD2 LYS 85 2HD LYS 85 1.230 7.925 11.024 692 HD3 LYS 85 3HD LYS 85 0.277 8.789 12.232 693 HE2 LYS 85 2HE LYS 85 1.776 10.729 11.989 694 HE3 LYS 85 3HE LYS 85 2.671 9.863 10.741 695 HZ1 LYS 85 3HZ LYS 85 1.255 10.927 9.385 696 HZ2 LYS 85 1HZ LYS 85 0.096 11.183 10.591 697 HZ3 LYS 85 2HZ LYS 85 0.180 9.689 9.803 698 H VAL 86 H VAL 86 3.213 6.099 15.539 699 HA VAL 86 HA VAL 86 0.469 5.425 16.385 700 HB VAL 86 HB VAL 86 0.649 3.303 15.240 701 HG11 VAL 86 1HG1 VAL 86 0.085 5.558 14.037 702 HG12 VAL 86 2HG1 VAL 86 1.584 5.232 13.166 703 HG13 VAL 86 3HG1 VAL 86 0.258 4.070 13.108 704 HG21 VAL 86 3HG2 VAL 86 2.620 2.384 14.790 705 HG22 VAL 86 1HG2 VAL 86 2.957 3.666 13.626 706 HG23 VAL 86 2HG2 VAL 86 3.433 3.859 15.314 707 H ALA 87 H ALA 87 3.683 5.487 17.269 708 HA ALA 87 HA ALA 87 3.862 3.067 18.762 709 HB1 ALA 87 1HB ALA 87 5.506 5.468 18.370 710 HB2 ALA 87 2HB ALA 87 5.690 4.684 19.940 711 HB3 ALA 87 3HB ALA 87 5.974 3.770 18.458 712 H ALA 88 H ALA 88 3.497 6.462 19.806 713 HA ALA 88 HA ALA 88 3.100 5.997 22.507 714 HB1 ALA 88 1HB ALA 88 1.462 8.169 21.898 715 HB2 ALA 88 2HB ALA 88 3.153 8.215 22.397 716 HB3 ALA 88 3HB ALA 88 2.740 8.198 20.683 717 H GLU 89 H GLU 89 0.879 5.649 19.837 718 HA GLU 89 HA GLU 89 -1.475 5.462 21.464 719 HB2 GLU 89 2HB GLU 89 -1.230 6.072 18.927 720 HB3 GLU 89 3HB GLU 89 -1.305 4.331 18.696 721 HG2 GLU 89 2HG GLU 89 -3.488 5.408 18.437 722 HG3 GLU 89 3HG GLU 89 -3.467 4.238 19.756 723 H VAL 90 H VAL 90 0.356 3.076 19.545 724 HA VAL 90 HA VAL 90 -1.037 0.816 20.443 725 HB VAL 90 HB VAL 90 1.820 1.011 19.480 726 HG11 VAL 90 1HG1 VAL 90 1.690 -1.065 20.543 727 HG12 VAL 90 2HG1 VAL 90 0.028 -1.335 20.016 728 HG13 VAL 90 3HG1 VAL 90 1.350 -1.431 18.852 729 HG21 VAL 90 3HG2 VAL 90 1.036 1.151 17.397 730 HG22 VAL 90 1HG2 VAL 90 -0.125 -0.148 17.672 731 HG23 VAL 90 2HG2 VAL 90 -0.537 1.510 18.109 732 H LEU 91 H LEU 91 2.166 2.003 21.480 733 HA LEU 91 HA LEU 91 2.653 0.208 23.509 734 HB2 LEU 91 2HB LEU 91 3.429 3.055 23.067 735 HB3 LEU 91 3HB LEU 91 3.842 2.274 24.592 736 HG LEU 91 HG LEU 91 4.981 0.484 23.173 737 HD11 LEU 91 1HD1 LEU 91 4.859 2.647 21.081 738 HD12 LEU 91 2HD1 LEU 91 3.881 1.180 21.053 739 HD13 LEU 91 3HD1 LEU 91 5.637 1.070 20.949 740 HD21 LEU 91 3HD2 LEU 91 6.694 1.591 24.060 741 HD22 LEU 91 1HD2 LEU 91 5.838 3.130 23.961 742 HD23 LEU 91 2HD2 LEU 91 6.753 2.539 22.574 743 H GLY 92 H GLY 92 0.598 3.059 23.541 744 HA2 GLY 92 2HA GLY 92 0.173 3.093 26.361 745 HA3 GLY 92 3HA GLY 92 -0.799 3.923 25.154 746 H ARG 93 H ARG 93 -1.473 1.543 23.664 747 HA ARG 93 HA ARG 93 -3.691 0.675 25.285 748 HB2 ARG 93 2HB ARG 93 -2.860 0.362 22.443 749 HB3 ARG 93 3HB ARG 93 -3.972 -0.828 23.105 750 HG2 ARG 93 2HG ARG 93 -4.533 2.086 23.435 751 HG3 ARG 93 3HG ARG 93 -4.897 1.274 21.911 752 HD2 ARG 93 2HD ARG 93 -6.386 -0.241 22.982 753 HD3 ARG 93 3HD ARG 93 -5.860 0.278 24.583 754 HE ARG 93 HE ARG 93 -6.885 2.507 23.264 755 HH11 ARG 93 1HH1 ARG 93 -7.996 -0.560 24.480 756 HH12 ARG 93 2HH1 ARG 93 -9.606 -0.001 24.792 757 HH21 ARG 93 1HH2 ARG 93 -9.002 3.255 23.671 758 HH22 ARG 93 2HH2 ARG 93 -10.177 2.169 24.331 759 H ILE 94 H ILE 94 -1.036 -1.003 23.593 760 HA ILE 94 HA ILE 94 -1.523 -3.559 24.563 761 HB ILE 94 HB ILE 94 0.740 -4.116 23.988 762 HG12 ILE 94 2HG1 ILE 94 1.248 -1.133 23.939 763 HG13 ILE 94 3HG1 ILE 94 1.890 -2.278 25.112 764 HG21 ILE 94 1HG2 ILE 94 -1.002 -3.360 22.214 765 HG22 ILE 94 2HG2 ILE 94 0.084 -1.989 21.996 766 HG23 ILE 94 3HG2 ILE 94 0.672 -3.630 21.731 767 HD11 ILE 94 3HD1 ILE 94 2.672 -1.815 22.284 768 HD12 ILE 94 1HD1 ILE 94 3.677 -2.036 23.716 769 HD13 ILE 94 2HD1 ILE 94 2.879 -3.424 22.975 770 H ASN 95 H ASN 95 -0.098 -0.814 26.134 771 HA ASN 95 HA ASN 95 1.212 -2.231 28.227 772 HB2 ASN 95 2HB ASN 95 1.913 0.018 27.720 773 HB3 ASN 95 3HB ASN 95 0.291 0.640 28.011 774 HD21 ASN 95 1HD2 ASN 95 -0.341 1.107 30.050 775 HD22 ASN 95 2HD2 ASN 95 0.682 0.967 31.435 776 H GLN 96 H GLN 96 -2.031 -1.044 27.726 777 HA GLN 96 HA GLN 96 -2.829 -1.405 30.471 778 HB2 GLN 96 2HB GLN 96 -4.348 -0.780 27.943 779 HB3 GLN 96 3HB GLN 96 -5.148 -1.021 29.490 780 HG2 GLN 96 2HG GLN 96 -3.604 0.807 30.375 781 HG3 GLN 96 3HG GLN 96 -3.258 1.159 28.683 782 HE21 GLN 96 1HE2 GLN 96 -4.665 2.343 27.541 783 HE22 GLN 96 2HE2 GLN 96 -6.185 2.912 28.133 784 H GLU 97 H GLU 97 -2.659 -3.337 27.625 785 HA GLU 97 HA GLU 97 -4.475 -5.350 28.714 786 HB2 GLU 97 2HB GLU 97 -3.022 -5.200 26.068 787 HB3 GLU 97 3HB GLU 97 -4.100 -6.505 26.541 788 HG2 GLU 97 2HG GLU 97 -5.056 -3.675 26.547 789 HG3 GLU 97 3HG GLU 97 -4.992 -4.600 25.049 790 H PHE 98 H PHE 98 -1.100 -4.703 28.278 791 HA PHE 98 HA PHE 98 -0.174 -7.380 28.570 792 HB2 PHE 98 2HB PHE 98 1.070 -4.671 28.606 793 HB3 PHE 98 3HB PHE 98 1.983 -6.006 29.302 794 HD1 PHE 98 HD2 PHE 98 -0.318 -6.511 26.504 795 HD2 PHE 98 HD1 PHE 98 3.731 -5.871 27.652 796 HE1 PHE 98 HE2 PHE 98 0.421 -7.173 24.253 797 HE2 PHE 98 HE1 PHE 98 4.476 -6.532 25.402 798 HZ PHE 98 HZ PHE 98 2.821 -7.185 23.699 799 HA PRO 99 HA PRO 99 -0.584 -7.945 32.914 800 HB2 PRO 99 2HB PRO 99 1.349 -9.812 33.297 801 HB3 PRO 99 3HB PRO 99 -0.192 -10.172 32.510 802 HG2 PRO 99 2HG PRO 99 2.479 -9.614 31.278 803 HG3 PRO 99 3HG PRO 99 1.282 -10.848 30.843 804 HD2 PRO 99 2HD PRO 99 1.553 -8.533 29.466 805 HD3 PRO 99 3HD PRO 99 -0.009 -9.357 29.651 806 H ARG 100 H ARG 100 0.803 -8.018 34.934 807 HA ARG 100 HA ARG 100 2.346 -5.669 35.105 808 HB2 ARG 100 2HB ARG 100 2.243 -7.996 37.034 809 HB3 ARG 100 3HB ARG 100 2.841 -6.382 37.396 810 HG2 ARG 100 2HG ARG 100 0.409 -5.709 36.580 811 HG3 ARG 100 3HG ARG 100 0.061 -7.357 37.105 812 HD2 ARG 100 2HD ARG 100 -0.336 -6.019 38.993 813 HD3 ARG 100 3HD ARG 100 1.246 -6.747 39.272 814 HE ARG 100 HE ARG 100 1.883 -4.402 38.121 815 HH11 ARG 100 1HH1 ARG 100 -0.219 -5.224 40.771 816 HH12 ARG 100 2HH1 ARG 100 0.026 -3.724 41.602 817 HH21 ARG 100 1HH2 ARG 100 2.214 -2.423 39.205 818 HH22 ARG 100 2HH2 ARG 100 1.410 -2.131 40.710 819 H ASP 101 H ASP 101 3.162 -8.915 34.291 820 HA ASP 101 HA ASP 101 5.951 -8.732 34.923 821 HB2 ASP 101 2HB ASP 101 4.210 -10.694 33.492 822 HB3 ASP 101 3HB ASP 101 5.953 -10.781 33.254 823 H LEU 102 H LEU 102 4.075 -8.608 31.903 824 HA LEU 102 HA LEU 102 6.323 -8.075 30.250 825 HB2 LEU 102 2HB LEU 102 3.371 -7.662 29.820 826 HB3 LEU 102 3HB LEU 102 4.590 -7.402 28.573 827 HG LEU 102 HG LEU 102 3.845 -10.014 29.880 828 HD11 LEU 102 1HD1 LEU 102 2.681 -8.711 27.773 829 HD12 LEU 102 2HD1 LEU 102 2.623 -10.449 28.063 830 HD13 LEU 102 3HD1 LEU 102 3.836 -9.777 26.973 831 HD21 LEU 102 3HD2 LEU 102 6.068 -10.406 29.581 832 HD22 LEU 102 1HD2 LEU 102 6.222 -9.205 28.298 833 HD23 LEU 102 2HD2 LEU 102 5.499 -10.777 27.953 834 H LYS 103 H LYS 103 4.218 -6.098 32.169 835 HA LYS 103 HA LYS 103 4.433 -3.619 30.983 836 HB2 LYS 103 2HB LYS 103 4.291 -4.451 33.870 837 HB3 LYS 103 3HB LYS 103 4.373 -2.754 33.417 838 HG2 LYS 103 2HG LYS 103 2.343 -4.241 31.947 839 HG3 LYS 103 3HG LYS 103 2.086 -4.230 33.693 840 HD2 LYS 103 2HD LYS 103 2.742 -1.693 32.247 841 HD3 LYS 103 3HD LYS 103 1.092 -2.318 32.241 842 HE2 LYS 103 2HE LYS 103 0.938 -1.061 34.118 843 HE3 LYS 103 3HE LYS 103 1.617 -2.510 34.858 844 HZ1 LYS 103 3HZ LYS 103 3.546 -1.484 35.284 845 HZ2 LYS 103 1HZ LYS 103 2.658 -0.055 35.106 846 HZ3 LYS 103 2HZ LYS 103 3.570 -0.651 33.812 847 H LYS 104 H LYS 104 6.717 -5.189 33.196 848 HA LYS 104 HA LYS 104 8.539 -3.050 33.372 849 HB2 LYS 104 2HB LYS 104 8.860 -6.025 33.749 850 HB3 LYS 104 3HB LYS 104 10.182 -4.894 34.006 851 HG2 LYS 104 2HG LYS 104 9.237 -4.000 35.893 852 HG3 LYS 104 3HG LYS 104 7.595 -4.428 35.405 853 HD2 LYS 104 2HD LYS 104 7.954 -6.724 35.940 854 HD3 LYS 104 3HD LYS 104 9.684 -6.461 36.171 855 HE2 LYS 104 2HE LYS 104 9.025 -6.426 38.348 856 HE3 LYS 104 3HE LYS 104 8.792 -4.722 37.965 857 HZ1 LYS 104 3HZ LYS 104 6.767 -5.129 38.825 858 HZ2 LYS 104 1HZ LYS 104 6.821 -6.789 38.500 859 HZ3 LYS 104 2HZ LYS 104 6.426 -5.698 37.269 860 H LYS 105 H LYS 105 8.513 -5.924 31.276 861 HA LYS 105 HA LYS 105 10.876 -5.397 29.887 862 HB2 LYS 105 2HB LYS 105 8.386 -6.760 28.845 863 HB3 LYS 105 3HB LYS 105 9.999 -6.892 28.156 864 HG2 LYS 105 2HG LYS 105 10.787 -7.962 30.208 865 HG3 LYS 105 3HG LYS 105 9.166 -7.833 30.894 866 HD2 LYS 105 2HD LYS 105 8.297 -9.240 29.082 867 HD3 LYS 105 3HD LYS 105 9.925 -9.378 28.413 868 HE2 LYS 105 2HE LYS 105 9.485 -10.129 31.260 869 HE3 LYS 105 3HE LYS 105 8.923 -11.231 30.004 870 HZ1 LYS 105 3HZ LYS 105 10.993 -11.871 29.567 871 HZ2 LYS 105 1HZ LYS 105 11.450 -11.103 31.004 872 HZ3 LYS 105 2HZ LYS 105 11.583 -10.286 29.530 873 H LEU 106 H LEU 106 7.678 -4.060 29.541 874 HA LEU 106 HA LEU 106 8.215 -2.846 26.981 875 HB2 LEU 106 2HB LEU 106 5.969 -3.409 27.326 876 HB3 LEU 106 3HB LEU 106 5.953 -2.710 28.944 877 HG LEU 106 HG LEU 106 5.955 -0.477 28.026 878 HD11 LEU 106 1HD1 LEU 106 5.915 -0.040 25.656 879 HD12 LEU 106 2HD1 LEU 106 5.986 -1.766 25.302 880 HD13 LEU 106 3HD1 LEU 106 7.363 -0.965 26.057 881 HD21 LEU 106 3HD2 LEU 106 3.893 -2.417 27.558 882 HD22 LEU 106 1HD2 LEU 106 3.860 -1.181 26.301 883 HD23 LEU 106 2HD2 LEU 106 3.749 -0.715 27.999 884 H SER 107 H SER 107 7.837 -1.704 30.326 885 HA SER 107 HA SER 107 8.207 1.012 29.888 886 HB2 SER 107 2HB SER 107 7.487 0.143 32.048 887 HB3 SER 107 3HB SER 107 9.046 -0.650 32.276 888 HG SER 107 HG SER 107 8.523 2.135 32.162 889 H ARG 108 H ARG 108 10.581 -1.564 30.233 890 HA ARG 108 HA ARG 108 12.851 0.156 30.333 891 HB2 ARG 108 2HB ARG 108 14.162 -1.876 30.008 892 HB3 ARG 108 3HB ARG 108 12.905 -2.138 31.210 893 HG2 ARG 108 2HG ARG 108 11.582 -3.380 29.670 894 HG3 ARG 108 3HG ARG 108 12.638 -2.942 28.326 895 HD2 ARG 108 2HD ARG 108 13.396 -4.634 30.706 896 HD3 ARG 108 3HD ARG 108 13.063 -5.225 29.078 897 HE ARG 108 HE ARG 108 15.070 -3.381 28.778 898 HH11 ARG 108 1HH1 ARG 108 14.626 -6.320 30.589 899 HH12 ARG 108 2HH1 ARG 108 16.304 -6.748 30.557 900 HH21 ARG 108 1HH2 ARG 108 17.283 -3.933 28.729 901 HH22 ARG 108 2HH2 ARG 108 17.815 -5.389 29.499 902 H VAL 109 H VAL 109 11.014 -1.354 27.771 903 HA VAL 109 HA VAL 109 12.953 -0.789 25.721 904 HB VAL 109 HB VAL 109 10.070 -1.672 25.556 905 HG11 VAL 109 1HG1 VAL 109 11.205 -2.296 23.148 906 HG12 VAL 109 2HG1 VAL 109 10.156 -0.910 23.450 907 HG13 VAL 109 3HG1 VAL 109 11.909 -0.717 23.493 908 HG21 VAL 109 3HG2 VAL 109 12.252 -3.103 26.334 909 HG22 VAL 109 1HG2 VAL 109 10.808 -3.792 25.592 910 HG23 VAL 109 2HG2 VAL 109 12.219 -3.424 24.600 911 H VAL 110 H VAL 110 10.084 0.745 27.022 912 HA VAL 110 HA VAL 110 9.682 2.625 24.950 913 HB VAL 110 HB VAL 110 8.946 2.830 27.874 914 HG11 VAL 110 1HG1 VAL 110 8.806 5.013 27.054 915 HG12 VAL 110 2HG1 VAL 110 8.212 4.482 25.479 916 HG13 VAL 110 3HG1 VAL 110 7.164 4.391 26.895 917 HG21 VAL 110 3HG2 VAL 110 7.937 1.196 25.757 918 HG22 VAL 110 1HG2 VAL 110 7.411 1.286 27.438 919 HG23 VAL 110 2HG2 VAL 110 6.700 2.360 26.233 920 H ASN 111 H ASN 111 11.553 2.726 27.951 921 HA ASN 111 HA ASN 111 12.320 5.451 27.714 922 HB2 ASN 111 2HB ASN 111 13.312 5.132 29.718 923 HB3 ASN 111 3HB ASN 111 12.491 3.574 29.694 924 HD21 ASN 111 1HD2 ASN 111 13.676 1.785 29.760 925 HD22 ASN 111 2HD2 ASN 111 15.396 1.720 29.604 926 H ILE 112 H ILE 112 13.717 2.415 26.627 927 HA ILE 112 HA ILE 112 16.275 3.173 25.956 928 HB ILE 112 HB ILE 112 14.382 1.248 24.641 929 HG12 ILE 112 2HG1 ILE 112 17.023 0.640 25.937 930 HG13 ILE 112 3HG1 ILE 112 15.588 0.909 26.920 931 HG21 ILE 112 1HG2 ILE 112 17.072 2.132 23.700 932 HG22 ILE 112 2HG2 ILE 112 16.576 0.456 23.474 933 HG23 ILE 112 3HG2 ILE 112 15.622 1.760 22.768 934 HD11 ILE 112 3HD1 ILE 112 15.031 -0.948 24.798 935 HD12 ILE 112 1HD1 ILE 112 16.418 -1.474 25.752 936 HD13 ILE 112 2HD1 ILE 112 14.875 -1.150 26.543 937 H LEU 113 H LEU 113 13.276 3.951 24.344 938 HA LEU 113 HA LEU 113 14.157 4.737 21.846 939 HB2 LEU 113 2HB LEU 113 11.937 5.640 23.623 940 HB3 LEU 113 3HB LEU 113 12.262 6.523 22.133 941 HG LEU 113 HG LEU 113 10.455 4.867 21.893 942 HD11 LEU 113 1HD1 LEU 113 11.718 5.493 19.936 943 HD12 LEU 113 2HD1 LEU 113 11.339 3.772 19.866 944 HD13 LEU 113 3HD1 LEU 113 12.960 4.300 20.315 945 HD21 LEU 113 3HD2 LEU 113 10.918 2.504 21.969 946 HD22 LEU 113 1HD2 LEU 113 11.356 3.229 23.516 947 HD23 LEU 113 2HD2 LEU 113 12.613 2.810 22.352 948 H LYS 114 H LYS 114 14.198 6.543 24.884 949 HA LYS 114 HA LYS 114 15.153 8.970 23.743 950 HB2 LYS 114 2HB LYS 114 15.145 9.809 25.885 951 HB3 LYS 114 3HB LYS 114 14.008 8.479 26.063 952 HG2 LYS 114 2HG LYS 114 16.026 7.096 26.808 953 HG3 LYS 114 3HG LYS 114 16.856 8.645 26.979 954 HD2 LYS 114 2HD LYS 114 15.978 8.166 29.112 955 HD3 LYS 114 3HD LYS 114 14.887 9.367 28.417 956 HE2 LYS 114 2HE LYS 114 13.391 7.508 27.714 957 HE3 LYS 114 3HE LYS 114 14.450 6.387 28.569 958 HZ1 LYS 114 3HZ LYS 114 13.224 8.703 29.937 959 HZ2 LYS 114 1HZ LYS 114 13.878 7.300 30.620 960 HZ3 LYS 114 2HZ LYS 114 12.406 7.229 29.790 961 H GLU 115 H GLU 115 16.672 6.079 24.978 962 HA GLU 115 HA GLU 115 19.269 7.042 25.375 963 HB2 GLU 115 2HB GLU 115 18.461 4.290 24.420 964 HB3 GLU 115 3HB GLU 115 19.990 4.721 25.172 965 HG2 GLU 115 2HG GLU 115 18.799 5.308 27.232 966 HG3 GLU 115 3HG GLU 115 17.280 4.833 26.476 967 H ARG 116 H ARG 116 17.646 5.880 22.467 968 HA ARG 116 HA ARG 116 20.055 6.424 20.889 969 HB2 ARG 116 2HB ARG 116 17.489 5.216 19.871 970 HB3 ARG 116 3HB ARG 116 19.092 5.126 19.154 971 HG2 ARG 116 2HG ARG 116 18.220 3.805 21.716 972 HG3 ARG 116 3HG ARG 116 18.467 3.010 20.160 973 HD2 ARG 116 2HD ARG 116 20.545 4.358 21.877 974 HD3 ARG 116 3HD ARG 116 20.403 2.636 21.527 975 HE ARG 116 HE ARG 116 20.696 3.709 19.076 976 HH11 ARG 116 1HH1 ARG 116 22.476 4.085 22.044 977 HH12 ARG 116 2HH1 ARG 116 23.987 4.390 21.252 978 HH21 ARG 116 1HH2 ARG 116 22.679 4.109 18.022 979 HH22 ARG 116 2HH2 ARG 116 24.101 4.404 18.964 980 H ASN 117 H ASN 117 17.245 7.941 21.856 981 HA ASN 117 HA ASN 117 16.222 9.881 21.254 982 HB2 ASN 117 2HB ASN 117 18.678 10.565 20.997 983 HB3 ASN 117 3HB ASN 117 18.444 10.332 19.267 984 HD21 ASN 117 1HD2 ASN 117 18.999 12.600 19.146 985 HD22 ASN 117 2HD2 ASN 117 17.770 13.787 19.402 986 H ILE 118 H ILE 118 15.477 7.475 19.950 987 HA ILE 118 HA ILE 118 15.244 7.632 17.180 988 HB ILE 118 HB ILE 118 13.256 6.425 19.107 989 HG12 ILE 118 2HG1 ILE 118 15.585 5.587 19.369 990 HG13 ILE 118 3HG1 ILE 118 14.466 4.348 18.811 991 HG21 ILE 118 1HG2 ILE 118 13.722 5.900 16.174 992 HG22 ILE 118 2HG2 ILE 118 12.610 5.010 17.213 993 HG23 ILE 118 3HG2 ILE 118 12.327 6.718 16.877 994 HD11 ILE 118 3HD1 ILE 118 15.318 4.454 16.605 995 HD12 ILE 118 1HD1 ILE 118 16.246 5.910 16.965 996 HD13 ILE 118 2HD1 ILE 118 16.703 4.370 17.693 997 H PHE 119 H PHE 119 12.512 8.203 19.393 998 HA PHE 119 HA PHE 119 11.312 9.973 17.421 999 HB2 PHE 119 2HB PHE 119 10.200 9.122 20.100 1000 HB3 PHE 119 3HB PHE 119 9.312 9.848 18.764 1001 HD1 PHE 119 HD2 PHE 119 9.991 8.396 16.444 1002 HD2 PHE 119 HD1 PHE 119 9.568 6.949 20.425 1003 HE1 PHE 119 HE2 PHE 119 9.474 6.155 15.571 1004 HE2 PHE 119 HE1 PHE 119 9.051 4.705 19.558 1005 HZ PHE 119 HZ PHE 119 9.003 4.306 17.128 1006 H SER 120 H SER 120 10.291 12.019 18.197 1007 HA SER 120 HA SER 120 12.267 13.547 19.673 1008 HB2 SER 120 2HB SER 120 9.945 14.203 17.912 1009 HB3 SER 120 3HB SER 120 10.492 15.422 19.063 1010 HG SER 120 HG SER 120 11.572 14.738 16.716 1011 H LYS 121 H LYS 121 11.106 15.434 21.023 1012 HA LYS 121 HA LYS 121 10.130 14.192 23.360 1013 HB2 LYS 121 2HB LYS 121 11.301 16.535 22.930 1014 HB3 LYS 121 3HB LYS 121 9.634 17.094 22.882 1015 HG2 LYS 121 2HG LYS 121 10.237 17.397 25.096 1016 HG3 LYS 121 3HG LYS 121 9.376 15.856 25.122 1017 HD2 LYS 121 2HD LYS 121 11.239 15.329 26.360 1018 HD3 LYS 121 3HD LYS 121 11.778 14.867 24.744 1019 HE2 LYS 121 2HE LYS 121 13.519 16.124 25.843 1020 HE3 LYS 121 3HE LYS 121 12.860 17.076 24.514 1021 HZ1 LYS 121 3HZ LYS 121 13.242 18.141 26.845 1022 HZ2 LYS 121 1HZ LYS 121 11.744 17.440 27.203 1023 HZ3 LYS 121 2HZ LYS 121 11.877 18.551 25.934 1024 H GLN 122 H GLN 122 8.532 15.853 20.698 1025 HA GLN 122 HA GLN 122 5.985 16.125 21.797 1026 HB2 GLN 122 2HB GLN 122 6.911 15.735 18.956 1027 HB3 GLN 122 3HB GLN 122 5.220 15.993 19.365 1028 HG2 GLN 122 2HG GLN 122 6.003 18.107 20.550 1029 HG3 GLN 122 3HG GLN 122 7.529 17.874 19.698 1030 HE21 GLN 122 1HE2 GLN 122 5.219 19.866 19.562 1031 HE22 GLN 122 2HE2 GLN 122 4.878 19.977 17.872 1032 H VAL 123 H VAL 123 7.509 13.378 20.199 1033 HA VAL 123 HA VAL 123 5.117 11.779 20.228 1034 HB VAL 123 HB VAL 123 7.945 10.809 19.819 1035 HG11 VAL 123 1HG1 VAL 123 6.605 9.184 18.310 1036 HG12 VAL 123 2HG1 VAL 123 6.605 8.932 20.057 1037 HG13 VAL 123 3HG1 VAL 123 5.221 9.696 19.275 1038 HG21 VAL 123 3HG2 VAL 123 6.364 12.579 18.184 1039 HG22 VAL 123 1HG2 VAL 123 8.028 12.036 17.966 1040 HG23 VAL 123 2HG2 VAL 123 6.696 11.070 17.334 1041 H VAL 124 H VAL 124 8.201 11.736 22.007 1042 HA VAL 124 HA VAL 124 7.691 9.566 23.664 1043 HB VAL 124 HB VAL 124 9.264 12.060 24.323 1044 HG11 VAL 124 1HG1 VAL 124 9.329 9.324 25.592 1045 HG12 VAL 124 2HG1 VAL 124 10.422 10.659 25.966 1046 HG13 VAL 124 3HG1 VAL 124 8.701 10.798 26.329 1047 HG21 VAL 124 3HG2 VAL 124 9.751 10.293 22.311 1048 HG22 VAL 124 1HG2 VAL 124 10.987 11.241 23.137 1049 HG23 VAL 124 2HG2 VAL 124 10.672 9.579 23.635 1050 H ASN 125 H ASN 125 6.951 13.001 24.184 1051 HA ASN 125 HA ASN 125 5.923 12.825 26.760 1052 HB2 ASN 125 2HB ASN 125 5.635 14.713 24.493 1053 HB3 ASN 125 3HB ASN 125 4.391 14.797 25.737 1054 HD21 ASN 125 1HD2 ASN 125 7.841 14.066 25.994 1055 HD22 ASN 125 2HD2 ASN 125 8.218 15.378 27.053 1056 H ASP 126 H ASP 126 4.506 11.939 23.707 1057 HA ASP 126 HA ASP 126 1.815 11.755 24.671 1058 HB2 ASP 126 2HB ASP 126 2.586 12.059 22.240 1059 HB3 ASP 126 3HB ASP 126 2.899 10.325 22.251 1060 H ILE 127 H ILE 127 4.540 9.573 24.396 1061 HA ILE 127 HA ILE 127 3.126 7.161 24.837 1062 HB ILE 127 HB ILE 127 6.019 7.801 25.427 1063 HG12 ILE 127 2HG1 ILE 127 5.005 6.259 23.058 1064 HG13 ILE 127 3HG1 ILE 127 5.043 8.018 23.020 1065 HG21 ILE 127 1HG2 ILE 127 4.453 5.253 25.447 1066 HG22 ILE 127 2HG2 ILE 127 6.173 5.242 25.065 1067 HG23 ILE 127 3HG2 ILE 127 5.620 5.856 26.623 1068 HD11 ILE 127 3HD1 ILE 127 7.558 7.236 23.942 1069 HD12 ILE 127 1HD1 ILE 127 7.167 6.137 22.620 1070 HD13 ILE 127 2HD1 ILE 127 7.145 7.881 22.354 1071 H GLU 128 H GLU 128 4.823 9.383 27.019 1072 HA GLU 128 HA GLU 128 4.486 7.876 29.371 1073 HB2 GLU 128 2HB GLU 128 4.680 10.883 29.132 1074 HB3 GLU 128 3HB GLU 128 5.021 9.923 30.564 1075 HG2 GLU 128 2HG GLU 128 6.863 8.820 29.307 1076 HG3 GLU 128 3HG GLU 128 6.571 9.953 27.988 1077 H ARG 129 H ARG 129 2.641 10.701 28.211 1078 HA ARG 129 HA ARG 129 0.699 10.720 30.194 1079 HB2 ARG 129 2HB ARG 129 -0.656 12.028 28.672 1080 HB3 ARG 129 3HB ARG 129 1.026 12.516 28.524 1081 HG2 ARG 129 2HG ARG 129 1.237 11.171 26.492 1082 HG3 ARG 129 3HG ARG 129 -0.455 10.693 26.640 1083 HD2 ARG 129 2HD ARG 129 0.553 13.517 26.306 1084 HD3 ARG 129 3HD ARG 129 -0.148 12.521 25.030 1085 HE ARG 129 HE ARG 129 -1.961 12.669 27.165 1086 HH11 ARG 129 1HH1 ARG 129 -0.569 14.688 24.695 1087 HH12 ARG 129 2HH1 ARG 129 -1.942 15.741 24.598 1088 HH21 ARG 129 1HH2 ARG 129 -3.774 14.048 27.048 1089 HH22 ARG 129 2HH2 ARG 129 -3.764 15.376 25.938 1090 H SER 130 H SER 130 0.929 8.782 27.277 1091 HA SER 130 HA SER 130 -1.670 7.792 27.146 1092 HB2 SER 130 2HB SER 130 0.990 6.878 26.191 1093 HB3 SER 130 3HB SER 130 -0.289 5.665 26.246 1094 HG SER 130 HG SER 130 -0.494 8.188 24.960 1095 H LEU 131 H LEU 131 1.136 6.530 28.919 1096 HA LEU 131 HA LEU 131 -0.310 4.340 30.052 1097 HB2 LEU 131 2HB LEU 131 2.256 5.526 31.078 1098 HB3 LEU 131 3HB LEU 131 1.660 3.882 31.299 1099 HG LEU 131 HG LEU 131 2.577 5.065 28.678 1100 HD11 LEU 131 1HD1 LEU 131 3.989 2.906 30.187 1101 HD12 LEU 131 2HD1 LEU 131 4.288 4.601 30.570 1102 HD13 LEU 131 3HD1 LEU 131 4.607 3.994 28.945 1103 HD21 LEU 131 3HD2 LEU 131 1.755 3.261 27.670 1104 HD22 LEU 131 1HD2 LEU 131 0.894 2.902 29.167 1105 HD23 LEU 131 2HD2 LEU 131 2.477 2.185 28.867 1106 H ALA 132 H ALA 132 0.565 7.581 31.116 1107 HA ALA 132 HA ALA 132 -0.043 7.446 33.805 1108 HB1 ALA 132 1HB ALA 132 -0.385 9.692 31.834 1109 HB2 ALA 132 2HB ALA 132 -0.665 9.885 33.565 1110 HB3 ALA 132 3HB ALA 132 0.934 9.430 32.976 1111 H ALA 133 H ALA 133 -2.222 7.757 31.055 1112 HA ALA 133 HA ALA 133 -4.574 8.323 32.504 1113 HB1 ALA 133 1HB ALA 133 -4.238 8.602 30.030 1114 HB2 ALA 133 2HB ALA 133 -4.437 6.855 29.879 1115 HB3 ALA 133 3HB ALA 133 -5.759 7.843 30.502 1116 H ALA 134 H ALA 134 -2.913 5.338 31.750 1117 HA ALA 134 HA ALA 134 -5.079 3.621 32.512 1118 HB1 ALA 134 1HB ALA 134 -3.325 1.837 32.433 1119 HB2 ALA 134 2HB ALA 134 -3.497 2.770 30.946 1120 HB3 ALA 134 3HB ALA 134 -2.152 3.094 32.039 1121 H LEU 135 H LEU 135 -2.559 5.288 34.172 1122 HA LEU 135 HA LEU 135 -2.114 3.726 36.403 1123 HB2 LEU 135 2HB LEU 135 -1.226 6.097 35.658 1124 HB3 LEU 135 3HB LEU 135 -2.475 6.659 36.767 1125 HG LEU 135 HG LEU 135 -0.277 6.578 37.834 1126 HD11 LEU 135 1HD1 LEU 135 -1.039 5.764 39.829 1127 HD12 LEU 135 2HD1 LEU 135 -1.772 4.337 39.098 1128 HD13 LEU 135 3HD1 LEU 135 -2.563 5.907 38.952 1129 HD21 LEU 135 3HD2 LEU 135 -0.003 4.181 36.411 1130 HD22 LEU 135 1HD2 LEU 135 -0.034 3.729 38.116 1131 HD23 LEU 135 2HD2 LEU 135 1.149 4.903 37.536 1132 H GLU 136 H GLU 136 -4.862 5.777 35.649 1133 HA GLU 136 HA GLU 136 -6.045 5.420 38.267 1134 HB2 GLU 136 2HB GLU 136 -6.932 6.811 35.749 1135 HB3 GLU 136 3HB GLU 136 -8.013 6.607 37.121 1136 HG2 GLU 136 2HG GLU 136 -6.325 7.778 38.532 1137 HG3 GLU 136 3HG GLU 136 -5.410 8.111 37.062 1138 H HIS 137 H HIS 137 -6.947 3.541 38.772 1139 HA HIS 137 HA HIS 137 -8.368 2.045 36.672 1140 HB2 HIS 137 2HB HIS 137 -6.461 0.859 37.710 1141 HB3 HIS 137 3HB HIS 137 -7.236 1.019 39.284 1142 HD1 HIS 137 HD1 HIS 137 -9.423 0.195 36.406 1143 HD2 HIS 137 HD2 HIS 137 -7.377 -1.815 39.412 1144 HE1 HIS 137 HE1 HIS 137 -10.356 -2.141 36.409 1145 H HIS 138 H HIS 138 -10.487 2.386 36.743 1146 HA HIS 138 HA HIS 138 -11.796 3.060 39.248 1147 HB2 HIS 138 2HB HIS 138 -12.229 4.126 36.909 1148 HB3 HIS 138 3HB HIS 138 -13.228 2.703 36.634 1149 HD1 HIS 138 HD1 HIS 138 -14.717 5.250 36.578 1150 HD2 HIS 138 HD2 HIS 138 -13.976 3.240 40.137 1151 HE1 HIS 138 HE1 HIS 138 -16.466 6.068 38.188 Start of MODEL 9 1 H ALA 2 H ALA 2 5.601 -1.253 -4.595 2 HA ALA 2 HA ALA 2 6.462 -3.666 -5.884 3 HB1 ALA 2 1HB ALA 2 8.677 -2.497 -4.646 4 HB2 ALA 2 2HB ALA 2 8.172 -2.319 -6.327 5 HB3 ALA 2 3HB ALA 2 7.636 -1.153 -5.117 6 H PHE 3 H PHE 3 4.971 -3.776 -3.262 7 HA PHE 3 HA PHE 3 6.733 -5.726 -2.006 8 HB2 PHE 3 2HB PHE 3 6.564 -4.817 0.192 9 HB3 PHE 3 3HB PHE 3 7.073 -3.498 -0.858 10 HD1 PHE 3 HD1 PHE 3 5.069 -2.085 -1.861 11 HD2 PHE 3 HD2 PHE 3 4.885 -4.413 1.698 12 HE1 PHE 3 HE1 PHE 3 3.174 -0.727 -1.075 13 HE2 PHE 3 HE2 PHE 3 2.989 -3.059 2.489 14 HZ PHE 3 HZ PHE 3 2.131 -1.213 1.102 15 H SER 4 H SER 4 5.431 -6.704 -0.023 16 HA SER 4 HA SER 4 2.624 -7.048 -0.836 17 HB2 SER 4 2HB SER 4 4.656 -9.194 -0.227 18 HB3 SER 4 3HB SER 4 2.920 -9.496 -0.148 19 HG SER 4 HG SER 4 2.772 -8.940 -2.331 20 H SER 5 H SER 5 1.603 -6.041 0.796 21 HA SER 5 HA SER 5 2.453 -5.805 3.431 22 HB2 SER 5 2HB SER 5 0.666 -4.419 2.488 23 HB3 SER 5 3HB SER 5 -0.386 -5.830 2.376 24 HG SER 5 HG SER 5 -0.814 -4.614 4.257 25 H GLU 6 H GLU 6 0.924 -8.454 1.811 26 HA GLU 6 HA GLU 6 -0.190 -9.813 3.991 27 HB2 GLU 6 2HB GLU 6 -0.368 -10.293 1.449 28 HB3 GLU 6 3HB GLU 6 1.091 -11.246 1.682 29 HG2 GLU 6 2HG GLU 6 0.022 -12.814 2.989 30 HG3 GLU 6 3HG GLU 6 -1.277 -11.710 3.435 31 H GLN 7 H GLN 7 3.100 -9.613 2.819 32 HA GLN 7 HA GLN 7 4.152 -11.791 4.287 33 HB2 GLN 7 2HB GLN 7 5.200 -9.571 2.691 34 HB3 GLN 7 3HB GLN 7 6.257 -10.039 4.016 35 HG2 GLN 7 2HG GLN 7 5.140 -12.029 2.069 36 HG3 GLN 7 3HG GLN 7 6.648 -11.161 1.784 37 HE21 GLN 7 1HE2 GLN 7 7.289 -13.531 1.739 38 HE22 GLN 7 2HE2 GLN 7 7.834 -14.203 3.235 39 H PHE 8 H PHE 8 4.056 -8.300 4.951 40 HA PHE 8 HA PHE 8 5.406 -8.332 7.389 41 HB2 PHE 8 2HB PHE 8 4.861 -6.270 6.156 42 HB3 PHE 8 3HB PHE 8 3.157 -6.495 6.537 43 HD1 PHE 8 HD2 PHE 8 6.463 -6.203 8.235 44 HD2 PHE 8 HD1 PHE 8 2.282 -5.414 8.367 45 HE1 PHE 8 HE2 PHE 8 6.770 -4.945 10.326 46 HE2 PHE 8 HE1 PHE 8 2.583 -4.154 10.459 47 HZ PHE 8 HZ PHE 8 4.828 -3.919 11.442 48 H THR 9 H THR 9 1.958 -8.740 6.692 49 HA THR 9 HA THR 9 1.175 -8.953 9.424 50 HB THR 9 HB THR 9 -0.421 -10.159 7.189 51 HG1 THR 9 HG1 THR 9 0.057 -8.215 6.286 52 HG21 THR 9 3HG2 THR 9 -2.300 -9.345 8.488 53 HG22 THR 9 1HG2 THR 9 -1.210 -8.529 9.606 54 HG23 THR 9 2HG2 THR 9 -1.231 -10.290 9.523 55 H THR 10 H THR 10 1.539 -11.370 6.829 56 HA THR 10 HA THR 10 0.956 -13.635 8.338 57 HB THR 10 HB THR 10 2.878 -13.411 6.013 58 HG1 THR 10 HG1 THR 10 1.095 -13.127 4.923 59 HG21 THR 10 3HG2 THR 10 3.239 -15.495 7.165 60 HG22 THR 10 1HG2 THR 10 2.333 -15.822 5.688 61 HG23 THR 10 2HG2 THR 10 1.504 -15.801 7.245 62 H LYS 11 H LYS 11 3.905 -11.770 8.092 63 HA LYS 11 HA LYS 11 5.559 -13.710 9.403 64 HB2 LYS 11 2HB LYS 11 5.911 -10.815 8.665 65 HB3 LYS 11 3HB LYS 11 7.110 -11.663 9.633 66 HG2 LYS 11 2HG LYS 11 6.189 -12.625 6.937 67 HG3 LYS 11 3HG LYS 11 7.574 -11.556 7.171 68 HD2 LYS 11 2HD LYS 11 8.368 -13.373 8.848 69 HD3 LYS 11 3HD LYS 11 7.224 -14.413 7.995 70 HE2 LYS 11 2HE LYS 11 9.294 -14.744 6.924 71 HE3 LYS 11 3HE LYS 11 8.379 -13.680 5.857 72 HZ1 LYS 11 3HZ LYS 11 9.679 -11.872 6.405 73 HZ2 LYS 11 1HZ LYS 11 10.819 -13.122 6.388 74 HZ3 LYS 11 2HZ LYS 11 10.218 -12.545 7.860 75 H LEU 12 H LEU 12 4.027 -10.658 10.389 76 HA LEU 12 HA LEU 12 4.946 -10.489 12.983 77 HB2 LEU 12 2HB LEU 12 2.426 -9.637 11.636 78 HB3 LEU 12 3HB LEU 12 2.559 -9.479 13.386 79 HG LEU 12 HG LEU 12 4.559 -8.262 11.496 80 HD11 LEU 12 1HD1 LEU 12 2.811 -7.013 10.797 81 HD12 LEU 12 2HD1 LEU 12 3.128 -6.149 12.301 82 HD13 LEU 12 3HD1 LEU 12 1.845 -7.357 12.232 83 HD21 LEU 12 3HD2 LEU 12 5.609 -7.761 13.385 84 HD22 LEU 12 1HD2 LEU 12 4.318 -8.494 14.338 85 HD23 LEU 12 2HD2 LEU 12 4.215 -6.796 13.872 86 H ASN 13 H ASN 13 2.429 -12.537 11.662 87 HA ASN 13 HA ASN 13 1.489 -13.425 14.232 88 HB2 ASN 13 2HB ASN 13 1.003 -14.776 11.577 89 HB3 ASN 13 3HB ASN 13 0.005 -14.846 13.027 90 HD21 ASN 13 1HD2 ASN 13 -0.601 -14.028 10.254 91 HD22 ASN 13 2HD2 ASN 13 -1.266 -12.438 10.383 92 H THR 14 H THR 14 3.801 -14.511 11.844 93 HA THR 14 HA THR 14 4.272 -16.986 13.338 94 HB THR 14 HB THR 14 5.688 -17.663 11.452 95 HG1 THR 14 HG1 THR 14 5.814 -16.293 9.623 96 HG21 THR 14 3HG2 THR 14 3.964 -18.086 9.906 97 HG22 THR 14 1HG2 THR 14 3.115 -16.597 10.316 98 HG23 THR 14 2HG2 THR 14 3.147 -17.938 11.461 99 H LEU 15 H LEU 15 5.096 -14.170 14.128 100 HA LEU 15 HA LEU 15 7.987 -14.266 14.023 101 HB2 LEU 15 2HB LEU 15 5.930 -12.332 14.857 102 HB3 LEU 15 3HB LEU 15 7.433 -12.281 15.776 103 HG LEU 15 HG LEU 15 7.186 -11.951 12.786 104 HD11 LEU 15 1HD1 LEU 15 6.477 -10.122 14.637 105 HD12 LEU 15 2HD1 LEU 15 7.155 -9.718 13.060 106 HD13 LEU 15 3HD1 LEU 15 8.198 -9.769 14.481 107 HD21 LEU 15 3HD2 LEU 15 9.429 -12.531 14.518 108 HD22 LEU 15 1HD2 LEU 15 9.645 -11.003 13.663 109 HD23 LEU 15 2HD2 LEU 15 9.346 -12.486 12.756 110 H GLU 16 H GLU 16 9.349 -14.837 15.640 111 HA GLU 16 HA GLU 16 8.133 -15.716 18.177 112 HB2 GLU 16 2HB GLU 16 10.002 -17.110 16.341 113 HB3 GLU 16 3HB GLU 16 10.311 -17.286 18.063 114 HG2 GLU 16 2HG GLU 16 7.596 -17.792 16.904 115 HG3 GLU 16 3HG GLU 16 8.847 -19.034 16.909 116 H ASP 17 H ASP 17 9.898 -15.982 19.917 117 HA ASP 17 HA ASP 17 11.282 -13.445 20.094 118 HB2 ASP 17 2HB ASP 17 11.825 -14.220 22.413 119 HB3 ASP 17 3HB ASP 17 10.100 -14.169 22.060 120 H SER 18 H SER 18 12.929 -13.677 18.548 121 HA SER 18 HA SER 18 15.224 -15.197 19.515 122 HB2 SER 18 2HB SER 18 13.743 -15.768 17.025 123 HB3 SER 18 3HB SER 18 15.494 -15.665 16.849 124 HG SER 18 HG SER 18 15.531 -17.154 18.724 125 H GLN 19 H GLN 19 17.168 -14.241 19.097 126 HA GLN 19 HA GLN 19 17.232 -11.499 18.532 127 HB2 GLN 19 2HB GLN 19 19.291 -13.639 18.823 128 HB3 GLN 19 3HB GLN 19 19.785 -12.093 18.145 129 HG2 GLN 19 2HG GLN 19 18.299 -12.280 20.741 130 HG3 GLN 19 3HG GLN 19 20.053 -12.426 20.652 131 HE21 GLN 19 1HE2 GLN 19 17.326 -10.310 20.290 132 HE22 GLN 19 2HE2 GLN 19 18.218 -8.831 20.246 133 H GLU 20 H GLU 20 17.917 -14.307 16.494 134 HA GLU 20 HA GLU 20 18.706 -12.731 14.234 135 HB2 GLU 20 2HB GLU 20 18.218 -15.632 14.750 136 HB3 GLU 20 3HB GLU 20 18.246 -15.069 13.085 137 HG2 GLU 20 2HG GLU 20 20.425 -15.788 13.534 138 HG3 GLU 20 3HG GLU 20 20.490 -14.028 13.619 139 H SER 21 H SER 21 15.734 -14.177 15.385 140 HA SER 21 HA SER 21 14.229 -14.010 13.019 141 HB2 SER 21 2HB SER 21 13.451 -14.007 15.933 142 HB3 SER 21 3HB SER 21 12.249 -13.932 14.645 143 HG SER 21 HG SER 21 13.021 -15.911 13.875 144 H ILE 22 H ILE 22 14.494 -11.741 15.747 145 HA ILE 22 HA ILE 22 12.787 -9.774 14.681 146 HB ILE 22 HB ILE 22 15.088 -9.407 16.603 147 HG12 ILE 22 2HG1 ILE 22 13.399 -11.053 17.359 148 HG13 ILE 22 3HG1 ILE 22 13.414 -9.605 18.361 149 HG21 ILE 22 1HG2 ILE 22 13.790 -7.400 17.322 150 HG22 ILE 22 2HG2 ILE 22 14.463 -7.287 15.696 151 HG23 ILE 22 3HG2 ILE 22 12.749 -7.638 15.918 152 HD11 ILE 22 3HD1 ILE 22 11.534 -9.356 16.190 153 HD12 ILE 22 1HD1 ILE 22 11.215 -10.791 17.164 154 HD13 ILE 22 2HD1 ILE 22 11.281 -9.202 17.928 155 H SER 23 H SER 23 16.227 -10.377 14.298 156 HA SER 23 HA SER 23 16.773 -7.913 12.951 157 HB2 SER 23 2HB SER 23 18.453 -9.375 14.206 158 HB3 SER 23 3HB SER 23 18.445 -10.420 12.786 159 HG SER 23 HG SER 23 20.115 -8.840 12.718 160 H SER 24 H SER 24 15.733 -11.094 11.998 161 HA SER 24 HA SER 24 16.380 -10.907 9.246 162 HB2 SER 24 2HB SER 24 15.905 -13.057 10.347 163 HB3 SER 24 3HB SER 24 14.233 -12.558 10.602 164 HG SER 24 HG SER 24 15.551 -13.192 8.195 165 H ALA 25 H ALA 25 13.341 -10.365 11.015 166 HA ALA 25 HA ALA 25 11.847 -9.557 8.754 167 HB1 ALA 25 1HB ALA 25 11.367 -8.888 11.656 168 HB2 ALA 25 2HB ALA 25 10.190 -8.776 10.347 169 HB3 ALA 25 3HB ALA 25 10.816 -10.350 10.837 170 H SER 26 H SER 26 13.689 -7.762 11.183 171 HA SER 26 HA SER 26 12.940 -5.175 10.512 172 HB2 SER 26 2HB SER 26 14.312 -5.732 12.483 173 HB3 SER 26 3HB SER 26 15.669 -6.118 11.425 174 HG SER 26 HG SER 26 16.057 -4.059 11.171 175 H LYS 27 H LYS 27 15.532 -7.177 9.152 176 HA LYS 27 HA LYS 27 16.647 -5.301 7.423 177 HB2 LYS 27 2HB LYS 27 16.400 -8.300 7.168 178 HB3 LYS 27 3HB LYS 27 17.355 -7.312 6.071 179 HG2 LYS 27 2HG LYS 27 18.935 -6.814 7.680 180 HG3 LYS 27 3HG LYS 27 17.833 -7.161 9.015 181 HD2 LYS 27 2HD LYS 27 18.131 -9.443 8.842 182 HD3 LYS 27 3HD LYS 27 18.613 -9.357 7.146 183 HE2 LYS 27 2HE LYS 27 20.713 -8.220 7.890 184 HE3 LYS 27 3HE LYS 27 20.235 -8.549 9.555 185 HZ1 LYS 27 3HZ LYS 27 21.791 -10.180 8.284 186 HZ2 LYS 27 1HZ LYS 27 20.343 -10.772 7.640 187 HZ3 LYS 27 2HZ LYS 27 20.591 -10.782 9.313 188 H TRP 28 H TRP 28 13.834 -7.379 7.025 189 HA TRP 28 HA TRP 28 13.427 -6.817 4.270 190 HB2 TRP 28 2HB TRP 28 12.468 -8.796 5.394 191 HB3 TRP 28 3HB TRP 28 11.427 -7.740 6.346 192 HD1 TRP 28 HD1 TRP 28 12.081 -8.299 2.548 193 HE1 TRP 28 HE1 TRP 28 9.807 -8.234 1.345 194 HE3 TRP 28 HE3 TRP 28 9.064 -7.371 6.569 195 HZ2 TRP 28 HZ2 TRP 28 7.092 -7.840 2.013 196 HZ3 TRP 28 HZ3 TRP 28 6.640 -7.164 6.201 197 HH2 TRP 28 HH2 TRP 28 5.676 -7.393 3.969 198 H LEU 29 H LEU 29 11.809 -5.606 7.208 199 HA LEU 29 HA LEU 29 10.109 -3.784 5.963 200 HB2 LEU 29 2HB LEU 29 11.323 -3.941 8.692 201 HB3 LEU 29 3HB LEU 29 10.352 -2.544 8.233 202 HG LEU 29 HG LEU 29 9.148 -5.220 7.812 203 HD11 LEU 29 1HD1 LEU 29 9.058 -4.032 10.553 204 HD12 LEU 29 2HD1 LEU 29 10.355 -5.138 10.103 205 HD13 LEU 29 3HD1 LEU 29 8.676 -5.672 10.028 206 HD21 LEU 29 3HD2 LEU 29 7.312 -3.985 7.626 207 HD22 LEU 29 1HD2 LEU 29 8.321 -2.546 7.780 208 HD23 LEU 29 2HD2 LEU 29 7.579 -3.260 9.212 209 H LEU 30 H LEU 30 13.484 -3.504 6.872 210 HA LEU 30 HA LEU 30 13.807 -0.741 6.657 211 HB2 LEU 30 2HB LEU 30 15.444 -2.931 7.098 212 HB3 LEU 30 3HB LEU 30 16.065 -2.232 5.604 213 HG LEU 30 HG LEU 30 17.323 -1.328 7.412 214 HD11 LEU 30 1HD1 LEU 30 15.376 0.867 6.822 215 HD12 LEU 30 2HD1 LEU 30 16.392 0.195 5.547 216 HD13 LEU 30 3HD1 LEU 30 17.133 0.939 6.965 217 HD21 LEU 30 3HD2 LEU 30 14.716 -0.464 8.659 218 HD22 LEU 30 1HD2 LEU 30 16.336 -0.201 9.305 219 HD23 LEU 30 2HD2 LEU 30 15.687 -1.837 9.191 220 H LEU 31 H LEU 31 13.421 -3.171 4.215 221 HA LEU 31 HA LEU 31 14.243 -1.348 2.089 222 HB2 LEU 31 2HB LEU 31 13.191 -4.158 1.840 223 HB3 LEU 31 3HB LEU 31 14.025 -3.217 0.605 224 HG LEU 31 HG LEU 31 15.262 -4.254 3.155 225 HD11 LEU 31 1HD1 LEU 31 16.244 -5.192 0.560 226 HD12 LEU 31 2HD1 LEU 31 14.609 -5.719 0.960 227 HD13 LEU 31 3HD1 LEU 31 15.944 -6.081 2.054 228 HD21 LEU 31 3HD2 LEU 31 17.316 -3.616 1.531 229 HD22 LEU 31 1HD2 LEU 31 16.659 -2.532 2.757 230 HD23 LEU 31 2HD2 LEU 31 16.155 -2.369 1.074 231 H GLN 32 H GLN 32 11.691 -1.278 3.854 232 HA GLN 32 HA GLN 32 9.827 -0.906 1.604 233 HB2 GLN 32 2HB GLN 32 9.003 -1.729 4.387 234 HB3 GLN 32 3HB GLN 32 8.002 -1.676 2.942 235 HG2 GLN 32 2HG GLN 32 10.133 -3.642 3.679 236 HG3 GLN 32 3HG GLN 32 8.446 -3.936 3.259 237 HE21 GLN 32 1HE2 GLN 32 8.162 -2.525 0.958 238 HE22 GLN 32 2HE2 GLN 32 9.180 -3.182 -0.274 239 H TYR 33 H TYR 33 11.617 1.025 2.818 240 HA TYR 33 HA TYR 33 10.394 2.688 4.689 241 HB2 TYR 33 2HB TYR 33 11.826 4.504 3.610 242 HB3 TYR 33 3HB TYR 33 12.676 3.087 4.216 243 HD1 TYR 33 HD2 TYR 33 11.236 4.513 1.089 244 HD2 TYR 33 HD1 TYR 33 14.139 1.930 2.823 245 HE1 TYR 33 HE2 TYR 33 12.260 4.188 -1.124 246 HE2 TYR 33 HE1 TYR 33 15.171 1.599 0.615 247 HH TYR 33 HH TYR 33 13.780 2.144 -2.166 248 H ARG 34 H ARG 34 9.708 2.206 1.344 249 HA ARG 34 HA ARG 34 8.427 4.669 0.795 250 HB2 ARG 34 2HB ARG 34 8.132 1.934 -0.452 251 HB3 ARG 34 3HB ARG 34 7.339 3.375 -1.073 252 HG2 ARG 34 2HG ARG 34 9.724 4.368 -1.150 253 HG3 ARG 34 3HG ARG 34 10.245 2.685 -1.045 254 HD2 ARG 34 2HD ARG 34 10.146 3.238 -3.352 255 HD3 ARG 34 3HD ARG 34 8.758 2.206 -3.009 256 HE ARG 34 HE ARG 34 8.069 4.947 -2.770 257 HH11 ARG 34 1HH1 ARG 34 8.713 2.456 -5.115 258 HH12 ARG 34 2HH1 ARG 34 7.727 3.176 -6.344 259 HH21 ARG 34 1HH2 ARG 34 6.767 5.905 -4.380 260 HH22 ARG 34 2HH2 ARG 34 6.621 5.138 -5.925 261 H ASP 35 H ASP 35 7.466 1.863 2.541 262 HA ASP 35 HA ASP 35 4.657 2.725 2.528 263 HB2 ASP 35 2HB ASP 35 5.591 0.177 3.800 264 HB3 ASP 35 3HB ASP 35 4.033 0.552 3.068 265 H ALA 36 H ALA 36 6.309 4.372 3.939 266 HA ALA 36 HA ALA 36 6.737 3.751 6.630 267 HB1 ALA 36 1HB ALA 36 6.926 6.058 4.963 268 HB2 ALA 36 2HB ALA 36 6.123 6.501 6.470 269 HB3 ALA 36 3HB ALA 36 7.712 5.738 6.510 270 HA PRO 37 HA PRO 37 2.483 5.789 7.646 271 HB2 PRO 37 2HB PRO 37 0.853 6.406 5.564 272 HB3 PRO 37 3HB PRO 37 2.053 7.531 6.211 273 HG2 PRO 37 2HG PRO 37 2.221 5.760 3.803 274 HG3 PRO 37 3HG PRO 37 2.731 7.448 3.988 275 HD2 PRO 37 2HD PRO 37 4.475 5.380 4.088 276 HD3 PRO 37 3HD PRO 37 4.705 6.869 5.026 277 H LYS 38 H LYS 38 2.637 3.641 4.865 278 HA LYS 38 HA LYS 38 0.122 2.392 5.256 279 HB2 LYS 38 2HB LYS 38 2.585 1.776 3.687 280 HB3 LYS 38 3HB LYS 38 1.405 0.494 3.926 281 HG2 LYS 38 2HG LYS 38 0.330 3.083 3.018 282 HG3 LYS 38 3HG LYS 38 1.348 2.213 1.868 283 HD2 LYS 38 2HD LYS 38 -0.559 1.149 1.331 284 HD3 LYS 38 3HD LYS 38 -0.240 0.209 2.790 285 HE2 LYS 38 2HE LYS 38 -2.527 0.985 2.806 286 HE3 LYS 38 3HE LYS 38 -1.617 1.799 4.078 287 HZ1 LYS 38 3HZ LYS 38 -1.634 3.787 2.934 288 HZ2 LYS 38 1HZ LYS 38 -3.167 3.171 2.572 289 HZ3 LYS 38 2HZ LYS 38 -1.922 3.061 1.433 290 H VAL 39 H VAL 39 3.427 1.282 6.013 291 HA VAL 39 HA VAL 39 2.644 -1.039 7.394 292 HB VAL 39 HB VAL 39 5.170 0.587 7.725 293 HG11 VAL 39 1HG1 VAL 39 4.240 -1.962 8.895 294 HG12 VAL 39 2HG1 VAL 39 5.905 -1.922 8.312 295 HG13 VAL 39 3HG1 VAL 39 5.368 -0.765 9.530 296 HG21 VAL 39 3HG2 VAL 39 4.528 -0.365 5.417 297 HG22 VAL 39 1HG2 VAL 39 6.142 -0.697 6.044 298 HG23 VAL 39 2HG2 VAL 39 4.890 -1.936 6.131 299 H ALA 40 H ALA 40 3.206 2.269 8.472 300 HA ALA 40 HA ALA 40 3.085 1.764 11.248 301 HB1 ALA 40 1HB ALA 40 2.462 4.252 11.329 302 HB2 ALA 40 2HB ALA 40 4.031 3.812 10.654 303 HB3 ALA 40 3HB ALA 40 2.694 4.225 9.581 304 H GLU 41 H GLU 41 0.609 2.794 8.915 305 HA GLU 41 HA GLU 41 -1.499 3.002 10.777 306 HB2 GLU 41 2HB GLU 41 -1.372 3.889 8.365 307 HB3 GLU 41 3HB GLU 41 -1.878 2.276 7.881 308 HG2 GLU 41 2HG GLU 41 -3.940 2.488 9.053 309 HG3 GLU 41 3HG GLU 41 -3.419 3.994 9.806 310 H MET 42 H MET 42 -0.480 0.355 8.643 311 HA MET 42 HA MET 42 -2.551 -1.427 9.346 312 HB2 MET 42 2HB MET 42 -0.766 -1.485 7.406 313 HB3 MET 42 3HB MET 42 0.152 -2.436 8.566 314 HG2 MET 42 2HG MET 42 -2.192 -3.708 8.727 315 HG3 MET 42 3HG MET 42 -2.300 -3.110 7.072 316 HE1 MET 42 3HE MET 42 0.372 -6.426 8.686 317 HE2 MET 42 1HE MET 42 0.181 -4.913 9.572 318 HE3 MET 42 2HE MET 42 -1.223 -5.932 9.254 319 H TRP 43 H TRP 43 0.815 -1.195 10.485 320 HA TRP 43 HA TRP 43 0.754 -3.282 12.317 321 HB2 TRP 43 2HB TRP 43 2.803 -2.065 11.620 322 HB3 TRP 43 3HB TRP 43 2.284 -0.686 12.585 323 HD1 TRP 43 HD1 TRP 43 3.509 -4.313 12.999 324 HE1 TRP 43 HE1 TRP 43 4.467 -4.576 15.373 325 HE3 TRP 43 HE3 TRP 43 2.247 0.264 14.894 326 HZ2 TRP 43 HZ2 TRP 43 4.663 -3.045 17.736 327 HZ3 TRP 43 HZ3 TRP 43 2.856 0.786 17.220 328 HH2 TRP 43 HH2 TRP 43 4.038 -0.836 18.610 329 H LYS 44 H LYS 44 0.046 0.163 12.851 330 HA LYS 44 HA LYS 44 -0.540 -0.009 15.580 331 HB2 LYS 44 2HB LYS 44 -0.186 2.116 14.386 332 HB3 LYS 44 3HB LYS 44 -1.705 1.885 13.530 333 HG2 LYS 44 2HG LYS 44 -2.593 1.703 16.049 334 HG3 LYS 44 3HG LYS 44 -1.201 2.759 16.301 335 HD2 LYS 44 2HD LYS 44 -2.187 4.041 14.240 336 HD3 LYS 44 3HD LYS 44 -3.683 3.228 14.707 337 HE2 LYS 44 2HE LYS 44 -3.656 4.234 16.857 338 HE3 LYS 44 3HE LYS 44 -2.008 4.820 16.636 339 HZ1 LYS 44 3HZ LYS 44 -2.758 6.355 14.987 340 HZ2 LYS 44 1HZ LYS 44 -3.731 6.550 16.357 341 HZ3 LYS 44 2HZ LYS 44 -4.324 5.716 15.010 342 H GLU 45 H GLU 45 -2.866 0.168 12.876 343 HA GLU 45 HA GLU 45 -5.165 -0.336 14.337 344 HB2 GLU 45 2HB GLU 45 -4.384 -0.646 11.487 345 HB3 GLU 45 3HB GLU 45 -5.850 -1.464 12.007 346 HG2 GLU 45 2HG GLU 45 -6.505 0.822 13.000 347 HG3 GLU 45 3HG GLU 45 -5.250 1.462 11.940 348 H TYR 46 H TYR 46 -2.715 -2.539 13.208 349 HA TYR 46 HA TYR 46 -4.261 -4.916 13.650 350 HB2 TYR 46 2HB TYR 46 -2.544 -5.092 12.021 351 HB3 TYR 46 3HB TYR 46 -1.338 -4.413 13.108 352 HD1 TYR 46 HD1 TYR 46 -0.355 -5.778 14.885 353 HD2 TYR 46 HD2 TYR 46 -3.168 -7.421 12.149 354 HE1 TYR 46 HE1 TYR 46 0.305 -8.044 15.576 355 HE2 TYR 46 HE2 TYR 46 -2.517 -9.691 12.833 356 HH TYR 46 HH TYR 46 -0.352 -10.750 13.872 357 H MET 47 H MET 47 -1.874 -3.063 15.458 358 HA MET 47 HA MET 47 -1.652 -4.972 17.582 359 HB2 MET 47 2HB MET 47 -0.830 -2.071 17.389 360 HB3 MET 47 3HB MET 47 -0.467 -3.106 18.764 361 HG2 MET 47 2HG MET 47 0.353 -3.942 16.021 362 HG3 MET 47 3HG MET 47 1.299 -2.741 16.898 363 HE1 MET 47 3HE MET 47 3.329 -4.282 19.231 364 HE2 MET 47 1HE MET 47 2.277 -2.902 18.914 365 HE3 MET 47 2HE MET 47 1.817 -4.102 20.121 366 H LEU 48 H LEU 48 -3.830 -2.433 16.791 367 HA LEU 48 HA LEU 48 -4.873 -2.309 19.523 368 HB2 LEU 48 2HB LEU 48 -5.658 -0.712 17.090 369 HB3 LEU 48 3HB LEU 48 -6.211 -0.436 18.740 370 HG LEU 48 HG LEU 48 -3.347 -0.156 17.837 371 HD11 LEU 48 1HD1 LEU 48 -5.231 2.092 18.466 372 HD12 LEU 48 2HD1 LEU 48 -5.036 1.467 16.829 373 HD13 LEU 48 3HD1 LEU 48 -3.654 2.158 17.680 374 HD21 LEU 48 3HD2 LEU 48 -4.668 -0.162 20.415 375 HD22 LEU 48 1HD2 LEU 48 -3.806 1.347 20.119 376 HD23 LEU 48 2HD2 LEU 48 -2.947 -0.191 20.027 377 H ARG 49 H ARG 49 -5.191 -4.696 17.904 378 HA ARG 49 HA ARG 49 -8.102 -4.690 17.467 379 HB2 ARG 49 2HB ARG 49 -5.845 -6.082 16.153 380 HB3 ARG 49 3HB ARG 49 -7.304 -7.035 16.386 381 HG2 ARG 49 2HG ARG 49 -8.606 -5.462 15.133 382 HG3 ARG 49 3HG ARG 49 -7.239 -4.350 15.030 383 HD2 ARG 49 2HD ARG 49 -6.030 -5.843 13.625 384 HD3 ARG 49 3HD ARG 49 -7.186 -7.143 13.910 385 HE ARG 49 HE ARG 49 -7.391 -5.079 11.967 386 HH11 ARG 49 1HH1 ARG 49 -9.275 -7.068 14.115 387 HH12 ARG 49 2HH1 ARG 49 -10.707 -6.989 13.143 388 HH21 ARG 49 1HH2 ARG 49 -9.270 -4.968 10.678 389 HH22 ARG 49 2HH2 ARG 49 -10.702 -5.795 11.188 390 HA PRO 50 HA PRO 50 -8.737 -7.338 20.912 391 HB2 PRO 50 2HB PRO 50 -10.894 -8.753 20.066 392 HB3 PRO 50 3HB PRO 50 -10.988 -7.055 20.549 393 HG2 PRO 50 2HG PRO 50 -10.828 -8.237 17.804 394 HG3 PRO 50 3HG PRO 50 -11.847 -6.912 18.393 395 HD2 PRO 50 2HD PRO 50 -9.571 -6.486 16.991 396 HD3 PRO 50 3HD PRO 50 -10.143 -5.367 18.245 397 H SER 51 H SER 51 -9.062 -9.053 17.798 398 HA SER 51 HA SER 51 -8.628 -11.632 18.655 399 HB2 SER 51 2HB SER 51 -9.162 -10.743 16.286 400 HB3 SER 51 3HB SER 51 -7.414 -10.631 16.088 401 HG SER 51 HG SER 51 -8.882 -12.969 16.755 402 H VAL 52 H VAL 52 -6.247 -9.127 17.954 403 HA VAL 52 HA VAL 52 -3.944 -10.738 18.148 404 HB VAL 52 HB VAL 52 -4.242 -7.788 18.728 405 HG11 VAL 52 1HG1 VAL 52 -1.769 -9.411 18.138 406 HG12 VAL 52 2HG1 VAL 52 -1.835 -7.658 18.331 407 HG13 VAL 52 3HG1 VAL 52 -2.200 -8.712 19.698 408 HG21 VAL 52 3HG2 VAL 52 -3.018 -7.931 16.333 409 HG22 VAL 52 1HG2 VAL 52 -4.033 -9.371 16.250 410 HG23 VAL 52 2HG2 VAL 52 -4.765 -7.791 16.529 411 H ASN 53 H ASN 53 -3.211 -11.805 19.853 412 HA ASN 53 HA ASN 53 -4.127 -11.155 22.517 413 HB2 ASN 53 2HB ASN 53 -2.408 -13.359 21.386 414 HB3 ASN 53 3HB ASN 53 -2.646 -13.157 23.119 415 HD21 ASN 53 1HD2 ASN 53 -3.707 -14.759 20.478 416 HD22 ASN 53 2HD2 ASN 53 -5.307 -15.157 20.994 417 H THR 54 H THR 54 -2.149 -11.636 24.207 418 HA THR 54 HA THR 54 -0.613 -9.268 24.164 419 HB THR 54 HB THR 54 0.709 -10.664 26.016 420 HG1 THR 54 HG1 THR 54 -0.315 -12.431 26.651 421 HG21 THR 54 3HG2 THR 54 -0.436 -9.369 27.447 422 HG22 THR 54 1HG2 THR 54 -1.986 -10.068 26.981 423 HG23 THR 54 2HG2 THR 54 -1.279 -8.770 26.019 424 H ARG 55 H ARG 55 0.265 -12.667 23.605 425 HA ARG 55 HA ARG 55 2.989 -12.403 23.272 426 HB2 ARG 55 2HB ARG 55 0.931 -14.296 22.320 427 HB3 ARG 55 3HB ARG 55 2.433 -14.288 21.405 428 HG2 ARG 55 2HG ARG 55 3.491 -14.419 23.821 429 HG3 ARG 55 3HG ARG 55 1.918 -15.120 24.205 430 HD2 ARG 55 2HD ARG 55 2.252 -16.720 22.322 431 HD3 ARG 55 3HD ARG 55 3.884 -16.081 22.132 432 HE ARG 55 HE ARG 55 3.641 -16.831 24.782 433 HH11 ARG 55 1HH1 ARG 55 3.478 -18.364 21.660 434 HH12 ARG 55 2HH1 ARG 55 4.048 -19.895 22.237 435 HH21 ARG 55 1HH2 ARG 55 4.393 -18.842 25.553 436 HH22 ARG 55 2HH2 ARG 55 4.568 -20.166 24.451 437 H ARG 56 H ARG 56 0.523 -12.252 20.699 438 HA ARG 56 HA ARG 56 2.194 -11.654 18.575 439 HB2 ARG 56 2HB ARG 56 -0.681 -11.120 19.172 440 HB3 ARG 56 3HB ARG 56 0.044 -10.322 17.782 441 HG2 ARG 56 2HG ARG 56 0.235 -12.244 16.600 442 HG3 ARG 56 3HG ARG 56 0.497 -13.232 18.039 443 HD2 ARG 56 2HD ARG 56 -1.603 -13.926 17.483 444 HD3 ARG 56 3HD ARG 56 -2.014 -12.559 18.518 445 HE ARG 56 HE ARG 56 -2.814 -11.438 16.678 446 HH11 ARG 56 1HH1 ARG 56 -1.020 -14.240 15.653 447 HH12 ARG 56 2HH1 ARG 56 -1.521 -14.117 13.999 448 HH21 ARG 56 1HH2 ARG 56 -3.481 -11.266 14.504 449 HH22 ARG 56 2HH2 ARG 56 -2.921 -12.425 13.347 450 H LYS 57 H LYS 57 0.653 -9.448 20.881 451 HA LYS 57 HA LYS 57 1.511 -7.047 19.688 452 HB2 LYS 57 2HB LYS 57 0.605 -7.809 22.443 453 HB3 LYS 57 3HB LYS 57 1.245 -6.198 22.147 454 HG2 LYS 57 2HG LYS 57 -0.506 -5.623 20.735 455 HG3 LYS 57 3HG LYS 57 -0.951 -7.306 20.443 456 HD2 LYS 57 2HD LYS 57 -1.623 -7.462 22.846 457 HD3 LYS 57 3HD LYS 57 -1.344 -5.725 22.981 458 HE2 LYS 57 2HE LYS 57 -2.943 -5.703 20.857 459 HE3 LYS 57 3HE LYS 57 -3.503 -7.208 21.585 460 HZ1 LYS 57 3HZ LYS 57 -4.472 -6.126 23.275 461 HZ2 LYS 57 1HZ LYS 57 -4.427 -4.787 22.241 462 HZ3 LYS 57 2HZ LYS 57 -3.231 -4.986 23.419 463 H LEU 58 H LEU 58 2.903 -8.932 22.368 464 HA LEU 58 HA LEU 58 5.066 -7.330 22.971 465 HB2 LEU 58 2HB LEU 58 4.383 -9.339 24.228 466 HB3 LEU 58 3HB LEU 58 5.019 -10.344 22.927 467 HG LEU 58 HG LEU 58 6.435 -10.039 25.048 468 HD11 LEU 58 1HD1 LEU 58 7.122 -10.927 22.746 469 HD12 LEU 58 2HD1 LEU 58 8.397 -10.381 23.835 470 HD13 LEU 58 3HD1 LEU 58 7.869 -9.347 22.507 471 HD21 LEU 58 3HD2 LEU 58 7.681 -8.090 25.323 472 HD22 LEU 58 1HD2 LEU 58 6.067 -7.496 24.933 473 HD23 LEU 58 2HD2 LEU 58 7.322 -7.515 23.694 474 H LEU 59 H LEU 59 4.963 -10.004 20.620 475 HA LEU 59 HA LEU 59 7.589 -9.759 19.696 476 HB2 LEU 59 2HB LEU 59 5.072 -10.913 18.608 477 HB3 LEU 59 3HB LEU 59 6.441 -10.714 17.516 478 HG LEU 59 HG LEU 59 6.144 -12.990 18.610 479 HD11 LEU 59 1HD1 LEU 59 8.764 -12.727 19.366 480 HD12 LEU 59 2HD1 LEU 59 8.548 -11.381 18.247 481 HD13 LEU 59 3HD1 LEU 59 8.192 -13.028 17.725 482 HD21 LEU 59 3HD2 LEU 59 5.739 -11.802 20.890 483 HD22 LEU 59 1HD2 LEU 59 7.500 -11.782 20.983 484 HD23 LEU 59 2HD2 LEU 59 6.642 -13.317 20.840 485 H GLY 60 H GLY 60 4.585 -8.372 18.372 486 HA2 GLY 60 2HA GLY 60 5.654 -7.036 16.191 487 HA3 GLY 60 3HA GLY 60 4.235 -6.505 17.082 488 H LEU 61 H LEU 61 5.544 -6.017 19.569 489 HA LEU 61 HA LEU 61 6.368 -3.359 19.180 490 HB2 LEU 61 2HB LEU 61 5.531 -4.755 21.302 491 HB3 LEU 61 3HB LEU 61 7.265 -4.779 21.618 492 HG LEU 61 HG LEU 61 5.472 -2.366 21.409 493 HD11 LEU 61 1HD1 LEU 61 5.433 -3.609 23.536 494 HD12 LEU 61 2HD1 LEU 61 6.117 -1.992 23.705 495 HD13 LEU 61 3HD1 LEU 61 7.179 -3.399 23.669 496 HD21 LEU 61 3HD2 LEU 61 7.529 -1.802 20.312 497 HD22 LEU 61 1HD2 LEU 61 8.475 -2.531 21.610 498 HD23 LEU 61 2HD2 LEU 61 7.535 -1.071 21.918 499 H TYR 62 H TYR 62 8.261 -6.259 20.004 500 HA TYR 62 HA TYR 62 10.772 -4.995 20.020 501 HB2 TYR 62 2HB TYR 62 9.805 -7.804 19.868 502 HB3 TYR 62 3HB TYR 62 11.471 -7.500 19.386 503 HD1 TYR 62 HD1 TYR 62 12.560 -5.635 21.178 504 HD2 TYR 62 HD2 TYR 62 9.661 -8.638 22.006 505 HE1 TYR 62 HE1 TYR 62 13.247 -5.639 23.540 506 HE2 TYR 62 HE2 TYR 62 10.339 -8.649 24.370 507 HH TYR 62 HH TYR 62 12.827 -7.874 25.573 508 H LEU 63 H LEU 63 8.820 -6.305 17.436 509 HA LEU 63 HA LEU 63 10.846 -6.395 15.455 510 HB2 LEU 63 2HB LEU 63 8.790 -7.645 15.213 511 HB3 LEU 63 3HB LEU 63 7.852 -6.153 15.211 512 HG LEU 63 HG LEU 63 8.314 -7.394 12.978 513 HD11 LEU 63 1HD1 LEU 63 7.534 -5.517 12.082 514 HD12 LEU 63 2HD1 LEU 63 9.017 -4.640 12.458 515 HD13 LEU 63 3HD1 LEU 63 7.737 -4.766 13.665 516 HD21 LEU 63 3HD2 LEU 63 10.849 -7.341 13.593 517 HD22 LEU 63 1HD2 LEU 63 10.776 -5.706 12.936 518 HD23 LEU 63 2HD2 LEU 63 10.339 -7.083 11.924 519 H MET 64 H MET 64 8.212 -4.047 15.992 520 HA MET 64 HA MET 64 9.074 -2.201 14.059 521 HB2 MET 64 2HB MET 64 7.428 -0.775 14.876 522 HB3 MET 64 3HB MET 64 6.820 -2.361 15.332 523 HG2 MET 64 2HG MET 64 6.515 -1.347 17.313 524 HG3 MET 64 3HG MET 64 8.207 -1.785 17.539 525 HE1 MET 64 3HE MET 64 6.750 0.045 19.166 526 HE2 MET 64 1HE MET 64 8.324 0.762 19.509 527 HE3 MET 64 2HE MET 64 6.990 1.782 18.971 528 H ASN 65 H ASN 65 10.044 -2.744 17.362 529 HA ASN 65 HA ASN 65 11.354 -0.250 17.754 530 HB2 ASN 65 2HB ASN 65 10.588 -2.005 19.511 531 HB3 ASN 65 3HB ASN 65 12.136 -2.778 19.179 532 HD21 ASN 65 1HD2 ASN 65 12.702 -2.373 21.361 533 HD22 ASN 65 2HD2 ASN 65 13.239 -0.808 21.858 534 H HIS 66 H HIS 66 12.490 -3.481 16.820 535 HA HIS 66 HA HIS 66 15.222 -2.784 16.615 536 HB2 HIS 66 2HB HIS 66 14.039 -5.129 16.684 537 HB3 HIS 66 3HB HIS 66 14.023 -4.953 14.932 538 HD1 HIS 66 HD1 HIS 66 16.222 -5.774 17.772 539 HD2 HIS 66 HD2 HIS 66 16.630 -4.862 13.740 540 HE1 HIS 66 HE1 HIS 66 18.564 -6.459 17.162 541 H VAL 67 H VAL 67 12.530 -2.621 14.378 542 HA VAL 67 HA VAL 67 14.082 -2.141 12.040 543 HB VAL 67 HB VAL 67 11.195 -1.432 12.581 544 HG11 VAL 67 1HG1 VAL 67 11.622 -0.217 10.695 545 HG12 VAL 67 2HG1 VAL 67 12.923 -1.285 10.167 546 HG13 VAL 67 3HG1 VAL 67 11.241 -1.775 9.962 547 HG21 VAL 67 3HG2 VAL 67 10.710 -3.590 12.378 548 HG22 VAL 67 1HG2 VAL 67 11.557 -3.664 10.833 549 HG23 VAL 67 2HG2 VAL 67 12.435 -3.953 12.335 550 H VAL 68 H VAL 68 12.099 0.039 14.052 551 HA VAL 68 HA VAL 68 12.849 2.418 12.778 552 HB VAL 68 HB VAL 68 12.013 3.586 14.734 553 HG11 VAL 68 1HG1 VAL 68 10.012 3.124 13.891 554 HG12 VAL 68 2HG1 VAL 68 10.572 1.552 13.317 555 HG13 VAL 68 3HG1 VAL 68 9.929 1.717 14.951 556 HG21 VAL 68 3HG2 VAL 68 12.202 0.888 16.052 557 HG22 VAL 68 1HG2 VAL 68 12.969 2.399 16.541 558 HG23 VAL 68 2HG2 VAL 68 11.224 2.203 16.701 559 H GLN 69 H GLN 69 14.369 0.585 15.354 560 HA GLN 69 HA GLN 69 16.238 2.608 16.093 561 HB2 GLN 69 2HB GLN 69 15.958 -0.322 16.644 562 HB3 GLN 69 3HB GLN 69 17.460 0.496 17.052 563 HG2 GLN 69 2HG GLN 69 16.173 2.095 18.424 564 HG3 GLN 69 3HG GLN 69 14.712 1.173 18.073 565 HE21 GLN 69 1HE2 GLN 69 14.287 0.540 20.137 566 HE22 GLN 69 2HE2 GLN 69 15.294 -0.539 21.033 567 H GLN 70 H GLN 70 16.217 -0.008 13.763 568 HA GLN 70 HA GLN 70 19.011 0.147 13.163 569 HB2 GLN 70 2HB GLN 70 16.659 -1.308 12.082 570 HB3 GLN 70 3HB GLN 70 18.026 -1.087 10.998 571 HG2 GLN 70 2HG GLN 70 19.042 -1.954 13.491 572 HG3 GLN 70 3HG GLN 70 17.682 -2.994 13.071 573 HE21 GLN 70 1HE2 GLN 70 20.443 -1.464 11.442 574 HE22 GLN 70 2HE2 GLN 70 20.909 -2.865 10.546 575 H ALA 71 H ALA 71 16.062 1.485 11.767 576 HA ALA 71 HA ALA 71 17.047 2.506 9.390 577 HB1 ALA 71 1HB ALA 71 14.799 3.188 11.186 578 HB2 ALA 71 2HB ALA 71 15.269 4.407 10.001 579 HB3 ALA 71 3HB ALA 71 14.802 2.792 9.467 580 H LYS 72 H LYS 72 17.573 3.592 12.642 581 HA LYS 72 HA LYS 72 18.271 6.243 12.290 582 HB2 LYS 72 2HB LYS 72 19.243 4.122 14.181 583 HB3 LYS 72 3HB LYS 72 19.942 5.736 14.216 584 HG2 LYS 72 2HG LYS 72 17.288 6.307 14.261 585 HG3 LYS 72 3HG LYS 72 17.337 4.786 15.157 586 HD2 LYS 72 2HD LYS 72 17.589 6.577 16.725 587 HD3 LYS 72 3HD LYS 72 19.149 5.766 16.570 588 HE2 LYS 72 2HE LYS 72 19.358 7.669 14.649 589 HE3 LYS 72 3HE LYS 72 18.347 8.498 15.831 590 HZ1 LYS 72 3HZ LYS 72 21.103 8.123 15.907 591 HZ2 LYS 72 1HZ LYS 72 20.453 7.198 17.166 592 HZ3 LYS 72 2HZ LYS 72 20.124 8.855 17.077 593 H GLY 73 H GLY 73 20.168 3.339 11.660 594 HA2 GLY 73 2HA GLY 73 22.547 4.853 11.004 595 HA3 GLY 73 3HA GLY 73 22.346 3.112 10.874 596 H GLN 74 H GLN 74 19.732 3.901 9.350 597 HA GLN 74 HA GLN 74 21.072 4.089 6.744 598 HB2 GLN 74 2HB GLN 74 18.495 2.869 7.660 599 HB3 GLN 74 3HB GLN 74 18.679 3.346 5.977 600 HG2 GLN 74 2HG GLN 74 19.201 0.937 6.565 601 HG3 GLN 74 3HG GLN 74 20.396 1.809 5.606 602 HE21 GLN 74 1HE2 GLN 74 19.606 0.707 8.848 603 HE22 GLN 74 2HE2 GLN 74 21.233 0.646 9.424 604 H LYS 75 H LYS 75 19.183 4.956 5.084 605 HA LYS 75 HA LYS 75 18.808 7.725 5.930 606 HB2 LYS 75 2HB LYS 75 18.633 6.379 3.233 607 HB3 LYS 75 3HB LYS 75 18.246 8.075 3.495 608 HG2 LYS 75 2HG LYS 75 20.529 8.470 4.281 609 HG3 LYS 75 3HG LYS 75 20.914 6.771 3.999 610 HD2 LYS 75 2HD LYS 75 20.139 7.210 1.587 611 HD3 LYS 75 3HD LYS 75 20.295 8.920 1.997 612 HE2 LYS 75 2HE LYS 75 22.344 8.268 0.997 613 HE3 LYS 75 3HE LYS 75 22.650 8.419 2.726 614 HZ1 LYS 75 3HZ LYS 75 22.124 5.864 1.305 615 HZ2 LYS 75 1HZ LYS 75 22.489 6.034 2.948 616 HZ3 LYS 75 2HZ LYS 75 23.650 6.417 1.779 617 H ILE 76 H ILE 76 17.089 6.177 7.289 618 HA ILE 76 HA ILE 76 14.510 6.616 5.929 619 HB ILE 76 HB ILE 76 14.537 4.713 8.176 620 HG12 ILE 76 2HG1 ILE 76 16.650 4.117 7.057 621 HG13 ILE 76 3HG1 ILE 76 15.432 2.863 6.848 622 HG21 ILE 76 1HG2 ILE 76 13.031 3.483 6.667 623 HG22 ILE 76 2HG2 ILE 76 12.528 5.156 6.900 624 HG23 ILE 76 3HG2 ILE 76 13.340 4.680 5.409 625 HD11 ILE 76 3HD1 ILE 76 15.360 4.785 4.694 626 HD12 ILE 76 1HD1 ILE 76 16.954 4.051 4.870 627 HD13 ILE 76 2HD1 ILE 76 15.533 3.031 4.641 628 H ILE 77 H ILE 77 13.559 8.352 6.757 629 HA ILE 77 HA ILE 77 13.727 8.788 9.668 630 HB ILE 77 HB ILE 77 13.388 10.874 7.510 631 HG12 ILE 77 2HG1 ILE 77 15.723 10.278 9.341 632 HG13 ILE 77 3HG1 ILE 77 15.668 9.970 7.609 633 HG21 ILE 77 1HG2 ILE 77 12.178 11.485 9.512 634 HG22 ILE 77 2HG2 ILE 77 13.595 11.146 10.505 635 HG23 ILE 77 3HG2 ILE 77 13.621 12.487 9.361 636 HD11 ILE 77 3HD1 ILE 77 16.653 11.952 7.409 637 HD12 ILE 77 1HD1 ILE 77 15.064 12.634 7.757 638 HD13 ILE 77 2HD1 ILE 77 16.239 12.425 9.057 639 H GLN 78 H GLN 78 11.686 8.417 6.916 640 HA GLN 78 HA GLN 78 9.318 9.527 8.056 641 HB2 GLN 78 2HB GLN 78 8.172 8.303 6.194 642 HB3 GLN 78 3HB GLN 78 9.458 9.383 5.672 643 HG2 GLN 78 2HG GLN 78 10.723 6.947 6.047 644 HG3 GLN 78 3HG GLN 78 9.174 6.532 5.313 645 HE21 GLN 78 1HE2 GLN 78 11.666 9.039 4.954 646 HE22 GLN 78 2HE2 GLN 78 11.737 8.961 3.230 647 H PHE 79 H PHE 79 10.720 6.298 7.891 648 HA PHE 79 HA PHE 79 8.540 4.834 8.845 649 HB2 PHE 79 2HB PHE 79 11.252 4.328 8.223 650 HB3 PHE 79 3HB PHE 79 10.993 3.735 9.860 651 HD1 PHE 79 HD1 PHE 79 8.253 2.768 9.777 652 HD2 PHE 79 HD2 PHE 79 11.337 2.470 6.859 653 HE1 PHE 79 HE1 PHE 79 7.198 0.736 8.875 654 HE2 PHE 79 HE2 PHE 79 10.288 0.439 5.952 655 HZ PHE 79 HZ PHE 79 8.215 -0.430 6.959 656 H GLN 80 H GLN 80 11.258 6.273 10.633 657 HA GLN 80 HA GLN 80 10.354 5.488 13.191 658 HB2 GLN 80 2HB GLN 80 11.971 7.117 14.052 659 HB3 GLN 80 3HB GLN 80 12.673 6.133 12.774 660 HG2 GLN 80 2HG GLN 80 12.446 7.925 11.195 661 HG3 GLN 80 3HG GLN 80 11.571 8.903 12.372 662 HE21 GLN 80 1HE2 GLN 80 14.481 6.933 12.754 663 HE22 GLN 80 2HE2 GLN 80 15.508 8.230 13.249 664 H ASP 81 H ASP 81 9.691 8.269 11.171 665 HA ASP 81 HA ASP 81 8.427 9.824 13.201 666 HB2 ASP 81 2HB ASP 81 9.369 10.842 11.167 667 HB3 ASP 81 3HB ASP 81 8.168 9.999 10.192 668 H SER 82 H SER 82 7.350 7.421 10.892 669 HA SER 82 HA SER 82 4.554 7.905 11.318 670 HB2 SER 82 2HB SER 82 5.839 5.439 10.128 671 HB3 SER 82 3HB SER 82 4.180 5.993 9.903 672 HG SER 82 HG SER 82 5.007 6.916 8.198 673 H PHE 83 H PHE 83 6.880 5.451 12.393 674 HA PHE 83 HA PHE 83 5.034 3.932 13.900 675 HB2 PHE 83 2HB PHE 83 7.999 4.102 13.702 676 HB3 PHE 83 3HB PHE 83 7.325 3.320 15.128 677 HD1 PHE 83 HD2 PHE 83 5.107 1.809 14.253 678 HD2 PHE 83 HD1 PHE 83 8.763 2.551 12.205 679 HE1 PHE 83 HE2 PHE 83 4.807 -0.270 12.971 680 HE2 PHE 83 HE1 PHE 83 8.468 0.474 10.918 681 HZ PHE 83 HZ PHE 83 6.489 -0.940 11.302 682 H GLY 84 H GLY 84 6.529 6.947 14.472 683 HA2 GLY 84 2HA GLY 84 6.445 6.824 17.350 684 HA3 GLY 84 3HA GLY 84 6.779 8.247 16.374 685 H LYS 85 H LYS 85 4.450 8.293 14.818 686 HA LYS 85 HA LYS 85 2.672 9.601 16.598 687 HB2 LYS 85 2HB LYS 85 1.251 9.924 14.644 688 HB3 LYS 85 3HB LYS 85 2.929 10.266 14.243 689 HG2 LYS 85 2HG LYS 85 3.119 8.446 12.874 690 HG3 LYS 85 3HG LYS 85 1.879 7.531 13.734 691 HD2 LYS 85 2HD LYS 85 1.097 10.014 12.278 692 HD3 LYS 85 3HD LYS 85 1.406 8.541 11.354 693 HE2 LYS 85 2HE LYS 85 -0.825 8.277 11.761 694 HE3 LYS 85 3HE LYS 85 -0.169 7.482 13.191 695 HZ1 LYS 85 3HZ LYS 85 -0.551 10.317 13.511 696 HZ2 LYS 85 1HZ LYS 85 -1.006 9.043 14.526 697 HZ3 LYS 85 2HZ LYS 85 -1.988 9.474 13.219 698 H VAL 86 H VAL 86 3.069 6.346 15.778 699 HA VAL 86 HA VAL 86 0.350 5.708 16.722 700 HB VAL 86 HB VAL 86 0.540 3.565 15.555 701 HG11 VAL 86 1HG1 VAL 86 1.256 5.551 13.459 702 HG12 VAL 86 2HG1 VAL 86 -0.064 4.381 13.505 703 HG13 VAL 86 3HG1 VAL 86 -0.162 5.860 14.461 704 HG21 VAL 86 3HG2 VAL 86 2.783 4.192 13.858 705 HG22 VAL 86 1HG2 VAL 86 3.273 4.132 15.551 706 HG23 VAL 86 2HG2 VAL 86 2.471 2.744 14.815 707 H ALA 87 H ALA 87 3.509 5.789 17.656 708 HA ALA 87 HA ALA 87 3.717 3.300 19.049 709 HB1 ALA 87 1HB ALA 87 5.338 5.744 18.775 710 HB2 ALA 87 2HB ALA 87 5.539 4.856 20.286 711 HB3 ALA 87 3HB ALA 87 5.821 4.048 18.744 712 H ALA 88 H ALA 88 3.152 6.656 20.110 713 HA ALA 88 HA ALA 88 2.813 6.130 22.828 714 HB1 ALA 88 1HB ALA 88 2.603 8.362 21.135 715 HB2 ALA 88 2HB ALA 88 1.079 8.260 22.017 716 HB3 ALA 88 3HB ALA 88 2.604 8.337 22.899 717 H GLU 89 H GLU 89 0.617 5.750 20.142 718 HA GLU 89 HA GLU 89 -1.717 5.415 21.796 719 HB2 GLU 89 2HB GLU 89 -1.605 6.248 19.346 720 HB3 GLU 89 3HB GLU 89 -1.511 4.543 18.928 721 HG2 GLU 89 2HG GLU 89 -3.784 5.279 18.759 722 HG3 GLU 89 3HG GLU 89 -3.635 4.163 20.115 723 H VAL 90 H VAL 90 0.025 3.220 19.583 724 HA VAL 90 HA VAL 90 -1.237 0.868 20.382 725 HB VAL 90 HB VAL 90 1.576 1.213 19.334 726 HG11 VAL 90 1HG1 VAL 90 -0.106 -1.197 19.862 727 HG12 VAL 90 2HG1 VAL 90 1.032 -1.204 18.513 728 HG13 VAL 90 3HG1 VAL 90 1.613 -0.940 20.157 729 HG21 VAL 90 3HG2 VAL 90 -0.622 1.953 18.035 730 HG22 VAL 90 1HG2 VAL 90 0.744 1.197 17.215 731 HG23 VAL 90 2HG2 VAL 90 -0.665 0.232 17.654 732 H LEU 91 H LEU 91 1.978 2.050 21.386 733 HA LEU 91 HA LEU 91 2.516 0.104 23.287 734 HB2 LEU 91 2HB LEU 91 3.315 3.009 23.379 735 HB3 LEU 91 3HB LEU 91 4.083 1.694 24.266 736 HG LEU 91 HG LEU 91 4.037 1.911 21.258 737 HD11 LEU 91 1HD1 LEU 91 5.312 3.709 22.628 738 HD12 LEU 91 2HD1 LEU 91 6.123 2.896 21.290 739 HD13 LEU 91 3HD1 LEU 91 6.450 2.401 22.951 740 HD21 LEU 91 3HD2 LEU 91 4.751 -0.189 21.325 741 HD22 LEU 91 1HD2 LEU 91 4.754 -0.176 23.089 742 HD23 LEU 91 2HD2 LEU 91 6.180 0.363 22.201 743 H GLY 92 H GLY 92 0.786 3.175 23.649 744 HA2 GLY 92 2HA GLY 92 0.431 3.013 26.450 745 HA3 GLY 92 3HA GLY 92 -0.528 3.989 25.348 746 H ARG 93 H ARG 93 -1.352 1.652 23.764 747 HA ARG 93 HA ARG 93 -3.627 0.922 25.374 748 HB2 ARG 93 2HB ARG 93 -2.800 0.521 22.533 749 HB3 ARG 93 3HB ARG 93 -4.038 -0.533 23.204 750 HG2 ARG 93 2HG ARG 93 -4.210 2.464 23.323 751 HG3 ARG 93 3HG ARG 93 -4.857 1.511 21.985 752 HD2 ARG 93 2HD ARG 93 -6.201 0.228 23.658 753 HD3 ARG 93 3HD ARG 93 -5.659 1.372 24.886 754 HE ARG 93 HE ARG 93 -6.808 2.748 22.700 755 HH11 ARG 93 1HH1 ARG 93 -7.654 0.780 25.444 756 HH12 ARG 93 2HH1 ARG 93 -9.231 1.474 25.620 757 HH21 ARG 93 1HH2 ARG 93 -8.882 3.670 22.922 758 HH22 ARG 93 2HH2 ARG 93 -9.930 3.117 24.184 759 H ILE 94 H ILE 94 -1.085 -0.921 23.680 760 HA ILE 94 HA ILE 94 -1.757 -3.435 24.695 761 HB ILE 94 HB ILE 94 0.444 -4.171 24.043 762 HG12 ILE 94 2HG1 ILE 94 1.133 -1.233 23.811 763 HG13 ILE 94 3HG1 ILE 94 1.750 -2.345 25.029 764 HG21 ILE 94 1HG2 ILE 94 0.193 -2.288 21.861 765 HG22 ILE 94 2HG2 ILE 94 -0.088 -4.028 21.887 766 HG23 ILE 94 3HG2 ILE 94 -1.374 -2.921 22.363 767 HD11 ILE 94 3HD1 ILE 94 2.916 -3.605 23.340 768 HD12 ILE 94 1HD1 ILE 94 2.224 -2.597 22.069 769 HD13 ILE 94 2HD1 ILE 94 3.357 -1.902 23.228 770 H ASN 95 H ASN 95 -0.005 -0.795 26.125 771 HA ASN 95 HA ASN 95 1.246 -2.303 28.199 772 HB2 ASN 95 2HB ASN 95 2.123 -0.126 27.501 773 HB3 ASN 95 3HB ASN 95 0.636 0.657 28.029 774 HD21 ASN 95 1HD2 ASN 95 0.121 0.568 30.305 775 HD22 ASN 95 2HD2 ASN 95 1.402 0.513 31.463 776 H GLN 96 H GLN 96 -1.847 -0.730 27.809 777 HA GLN 96 HA GLN 96 -2.546 -0.916 30.598 778 HB2 GLN 96 2HB GLN 96 -4.116 -0.190 28.127 779 HB3 GLN 96 3HB GLN 96 -4.839 -0.261 29.728 780 HG2 GLN 96 2HG GLN 96 -3.394 1.485 30.519 781 HG3 GLN 96 3HG GLN 96 -2.505 1.489 28.996 782 HE21 GLN 96 1HE2 GLN 96 -2.922 3.579 28.448 783 HE22 GLN 96 2HE2 GLN 96 -4.497 4.167 28.048 784 H GLU 97 H GLU 97 -2.792 -2.916 27.796 785 HA GLU 97 HA GLU 97 -4.767 -4.664 29.051 786 HB2 GLU 97 2HB GLU 97 -3.514 -4.618 26.309 787 HB3 GLU 97 3HB GLU 97 -4.533 -5.939 26.861 788 HG2 GLU 97 2HG GLU 97 -5.543 -3.140 27.016 789 HG3 GLU 97 3HG GLU 97 -5.543 -3.987 25.470 790 H PHE 98 H PHE 98 -1.372 -4.437 28.447 791 HA PHE 98 HA PHE 98 -0.757 -7.204 28.736 792 HB2 PHE 98 2HB PHE 98 0.783 -4.664 28.622 793 HB3 PHE 98 3HB PHE 98 1.575 -6.047 29.370 794 HD1 PHE 98 HD1 PHE 98 -0.855 -6.457 26.666 795 HD2 PHE 98 HD2 PHE 98 3.273 -6.191 27.669 796 HE1 PHE 98 HE1 PHE 98 -0.261 -7.316 24.438 797 HE2 PHE 98 HE2 PHE 98 3.873 -7.049 25.443 798 HZ PHE 98 HZ PHE 98 2.105 -7.612 23.823 799 HA PRO 99 HA PRO 99 -1.000 -7.677 33.101 800 HB2 PRO 99 2HB PRO 99 0.757 -9.720 33.429 801 HB3 PRO 99 3HB PRO 99 -0.846 -9.937 32.717 802 HG2 PRO 99 2HG PRO 99 1.807 -9.658 31.360 803 HG3 PRO 99 3HG PRO 99 0.477 -10.774 30.998 804 HD2 PRO 99 2HD PRO 99 0.910 -8.513 29.573 805 HD3 PRO 99 3HD PRO 99 -0.715 -9.178 29.840 806 H ARG 100 H ARG 100 0.350 -7.682 35.070 807 HA ARG 100 HA ARG 100 2.164 -5.559 35.112 808 HB2 ARG 100 2HB ARG 100 1.835 -7.806 37.108 809 HB3 ARG 100 3HB ARG 100 2.696 -6.303 37.409 810 HG2 ARG 100 2HG ARG 100 0.717 -5.033 37.333 811 HG3 ARG 100 3HG ARG 100 -0.199 -6.362 36.620 812 HD2 ARG 100 2HD ARG 100 0.419 -7.621 38.802 813 HD3 ARG 100 3HD ARG 100 0.747 -6.009 39.437 814 HE ARG 100 HE ARG 100 -1.828 -6.267 38.182 815 HH11 ARG 100 1HH1 ARG 100 -0.024 -6.639 41.136 816 HH12 ARG 100 2HH1 ARG 100 -1.414 -6.484 42.158 817 HH21 ARG 100 1HH2 ARG 100 -3.667 -6.062 39.517 818 HH22 ARG 100 2HH2 ARG 100 -3.486 -6.157 41.236 819 H ASP 101 H ASP 101 2.627 -8.899 34.397 820 HA ASP 101 HA ASP 101 5.441 -8.971 34.927 821 HB2 ASP 101 2HB ASP 101 3.450 -10.801 33.670 822 HB3 ASP 101 3HB ASP 101 5.155 -11.061 33.307 823 H LEU 102 H LEU 102 3.475 -8.761 31.969 824 HA LEU 102 HA LEU 102 5.727 -8.483 30.243 825 HB2 LEU 102 2HB LEU 102 2.801 -7.898 29.837 826 HB3 LEU 102 3HB LEU 102 4.013 -7.799 28.561 827 HG LEU 102 HG LEU 102 3.177 -10.286 30.051 828 HD11 LEU 102 1HD1 LEU 102 1.956 -9.002 27.927 829 HD12 LEU 102 2HD1 LEU 102 1.738 -10.685 28.403 830 HD13 LEU 102 3HD1 LEU 102 2.922 -10.266 27.166 831 HD21 LEU 102 3HD2 LEU 102 4.658 -11.471 28.513 832 HD22 LEU 102 1HD2 LEU 102 5.557 -10.332 29.515 833 HD23 LEU 102 2HD2 LEU 102 5.194 -9.933 27.835 834 H LYS 103 H LYS 103 3.605 -6.255 31.924 835 HA LYS 103 HA LYS 103 4.133 -3.884 30.614 836 HB2 LYS 103 2HB LYS 103 3.522 -4.546 33.472 837 HB3 LYS 103 3HB LYS 103 3.902 -2.888 33.024 838 HG2 LYS 103 2HG LYS 103 2.044 -3.557 31.147 839 HG3 LYS 103 3HG LYS 103 1.482 -4.458 32.557 840 HD2 LYS 103 2HD LYS 103 2.039 -2.089 33.708 841 HD3 LYS 103 3HD LYS 103 1.607 -1.544 32.086 842 HE2 LYS 103 2HE LYS 103 -0.401 -1.524 33.316 843 HE3 LYS 103 3HE LYS 103 -0.474 -2.976 32.318 844 HZ1 LYS 103 3HZ LYS 103 -0.841 -2.863 35.017 845 HZ2 LYS 103 1HZ LYS 103 0.732 -3.466 34.863 846 HZ3 LYS 103 2HZ LYS 103 -0.556 -4.263 34.111 847 H LYS 104 H LYS 104 6.069 -5.538 33.058 848 HA LYS 104 HA LYS 104 7.989 -3.503 33.419 849 HB2 LYS 104 2HB LYS 104 7.505 -5.749 34.737 850 HB3 LYS 104 3HB LYS 104 8.758 -6.377 33.674 851 HG2 LYS 104 2HG LYS 104 9.981 -5.733 35.504 852 HG3 LYS 104 3HG LYS 104 10.103 -4.300 34.480 853 HD2 LYS 104 2HD LYS 104 8.430 -3.163 35.742 854 HD3 LYS 104 3HD LYS 104 8.017 -4.632 36.630 855 HE2 LYS 104 2HE LYS 104 9.338 -3.301 38.082 856 HE3 LYS 104 3HE LYS 104 10.366 -4.620 37.527 857 HZ1 LYS 104 3HZ LYS 104 11.178 -2.132 37.509 858 HZ2 LYS 104 1HZ LYS 104 10.413 -2.128 36.000 859 HZ3 LYS 104 2HZ LYS 104 11.660 -3.227 36.312 860 H LYS 105 H LYS 105 7.697 -6.121 31.099 861 HA LYS 105 HA LYS 105 10.325 -5.840 30.020 862 HB2 LYS 105 2HB LYS 105 7.873 -7.079 28.757 863 HB3 LYS 105 3HB LYS 105 9.538 -7.313 28.241 864 HG2 LYS 105 2HG LYS 105 8.614 -8.054 30.996 865 HG3 LYS 105 3HG LYS 105 8.466 -9.156 29.625 866 HD2 LYS 105 2HD LYS 105 11.055 -7.877 30.494 867 HD3 LYS 105 3HD LYS 105 10.529 -9.484 31.000 868 HE2 LYS 105 2HE LYS 105 10.294 -9.944 28.467 869 HE3 LYS 105 3HE LYS 105 11.316 -8.521 28.273 870 HZ1 LYS 105 3HZ LYS 105 12.793 -10.300 28.322 871 HZ2 LYS 105 1HZ LYS 105 11.973 -11.091 29.573 872 HZ3 LYS 105 2HZ LYS 105 12.865 -9.692 29.899 873 H LEU 106 H LEU 106 7.183 -4.459 29.299 874 HA LEU 106 HA LEU 106 8.052 -3.229 26.845 875 HB2 LEU 106 2HB LEU 106 5.748 -3.858 27.051 876 HB3 LEU 106 3HB LEU 106 5.571 -2.904 28.523 877 HG LEU 106 HG LEU 106 6.327 -1.484 26.020 878 HD11 LEU 106 1HD1 LEU 106 3.478 -1.557 26.272 879 HD12 LEU 106 2HD1 LEU 106 4.100 -3.197 26.088 880 HD13 LEU 106 3HD1 LEU 106 4.487 -1.967 24.884 881 HD21 LEU 106 3HD2 LEU 106 6.147 0.063 27.662 882 HD22 LEU 106 1HD2 LEU 106 5.033 -0.915 28.616 883 HD23 LEU 106 2HD2 LEU 106 4.440 -0.011 27.222 884 H SER 107 H SER 107 7.684 -2.286 30.204 885 HA SER 107 HA SER 107 7.907 0.492 29.906 886 HB2 SER 107 2HB SER 107 7.243 -0.707 32.007 887 HB3 SER 107 3HB SER 107 8.936 -1.147 32.233 888 HG SER 107 HG SER 107 9.324 0.793 32.935 889 H ARG 108 H ARG 108 10.339 -2.039 30.060 890 HA ARG 108 HA ARG 108 12.551 -0.211 30.217 891 HB2 ARG 108 2HB ARG 108 13.949 -2.186 29.965 892 HB3 ARG 108 3HB ARG 108 12.683 -2.488 31.148 893 HG2 ARG 108 2HG ARG 108 11.506 -3.897 29.704 894 HG3 ARG 108 3HG ARG 108 12.377 -3.313 28.284 895 HD2 ARG 108 2HD ARG 108 13.736 -4.773 30.535 896 HD3 ARG 108 3HD ARG 108 13.019 -5.610 29.159 897 HE ARG 108 HE ARG 108 15.489 -4.172 29.201 898 HH11 ARG 108 1HH1 ARG 108 12.821 -5.142 27.186 899 HH12 ARG 108 2HH1 ARG 108 13.735 -5.068 25.716 900 HH21 ARG 108 1HH2 ARG 108 16.703 -4.071 27.273 901 HH22 ARG 108 2HH2 ARG 108 15.944 -4.460 25.766 902 H VAL 109 H VAL 109 10.700 -1.712 27.697 903 HA VAL 109 HA VAL 109 12.615 -1.347 25.607 904 HB VAL 109 HB VAL 109 9.631 -1.800 25.486 905 HG11 VAL 109 1HG1 VAL 109 11.642 -1.302 23.383 906 HG12 VAL 109 2HG1 VAL 109 10.520 -2.632 23.092 907 HG13 VAL 109 3HG1 VAL 109 9.904 -1.005 23.387 908 HG21 VAL 109 3HG2 VAL 109 10.036 -4.034 25.434 909 HG22 VAL 109 1HG2 VAL 109 11.599 -3.844 24.639 910 HG23 VAL 109 2HG2 VAL 109 11.448 -3.545 26.370 911 H VAL 110 H VAL 110 9.786 0.462 26.737 912 HA VAL 110 HA VAL 110 9.840 2.435 24.714 913 HB VAL 110 HB VAL 110 7.846 2.105 26.051 914 HG11 VAL 110 1HG1 VAL 110 9.479 3.121 28.376 915 HG12 VAL 110 2HG1 VAL 110 7.749 2.771 28.403 916 HG13 VAL 110 3HG1 VAL 110 8.910 1.467 28.152 917 HG21 VAL 110 3HG2 VAL 110 8.980 4.837 26.636 918 HG22 VAL 110 1HG2 VAL 110 8.330 4.342 25.073 919 HG23 VAL 110 2HG2 VAL 110 7.279 4.397 26.489 920 H ASN 111 H ASN 111 11.448 2.141 27.822 921 HA ASN 111 HA ASN 111 12.366 4.803 28.024 922 HB2 ASN 111 2HB ASN 111 13.370 2.211 29.202 923 HB3 ASN 111 3HB ASN 111 14.108 3.768 29.568 924 HD21 ASN 111 1HD2 ASN 111 12.854 1.988 31.408 925 HD22 ASN 111 2HD2 ASN 111 11.510 2.828 32.099 926 H ILE 112 H ILE 112 13.270 2.253 25.970 927 HA ILE 112 HA ILE 112 15.995 3.111 25.560 928 HB ILE 112 HB ILE 112 14.298 1.151 24.010 929 HG12 ILE 112 2HG1 ILE 112 16.627 0.447 25.763 930 HG13 ILE 112 3HG1 ILE 112 15.046 0.730 26.483 931 HG21 ILE 112 1HG2 ILE 112 17.052 2.169 23.616 932 HG22 ILE 112 2HG2 ILE 112 16.785 0.443 23.379 933 HG23 ILE 112 3HG2 ILE 112 15.867 1.615 22.434 934 HD11 ILE 112 3HD1 ILE 112 14.699 -1.436 26.124 935 HD12 ILE 112 1HD1 ILE 112 14.464 -0.986 24.435 936 HD13 ILE 112 2HD1 ILE 112 16.041 -1.555 24.985 937 H LEU 113 H LEU 113 12.876 3.619 24.066 938 HA LEU 113 HA LEU 113 13.652 4.602 21.581 939 HB2 LEU 113 2HB LEU 113 11.320 5.342 23.336 940 HB3 LEU 113 3HB LEU 113 11.507 5.903 21.676 941 HG LEU 113 HG LEU 113 11.343 2.991 22.434 942 HD11 LEU 113 1HD1 LEU 113 9.199 4.988 21.843 943 HD12 LEU 113 2HD1 LEU 113 9.250 3.729 23.076 944 HD13 LEU 113 3HD1 LEU 113 8.994 3.297 21.385 945 HD21 LEU 113 3HD2 LEU 113 10.446 3.279 19.876 946 HD22 LEU 113 1HD2 LEU 113 12.088 2.819 20.327 947 HD23 LEU 113 2HD2 LEU 113 11.715 4.502 19.952 948 H LYS 114 H LYS 114 13.571 6.163 24.723 949 HA LYS 114 HA LYS 114 14.030 8.805 23.741 950 HB2 LYS 114 2HB LYS 114 14.079 9.473 25.962 951 HB3 LYS 114 3HB LYS 114 13.072 8.033 26.033 952 HG2 LYS 114 2HG LYS 114 15.358 6.842 26.516 953 HG3 LYS 114 3HG LYS 114 15.844 8.462 27.021 954 HD2 LYS 114 2HD LYS 114 13.571 8.371 28.345 955 HD3 LYS 114 3HD LYS 114 13.810 6.628 28.200 956 HE2 LYS 114 2HE LYS 114 15.761 8.600 29.387 957 HE3 LYS 114 3HE LYS 114 14.744 7.478 30.289 958 HZ1 LYS 114 3HZ LYS 114 17.021 6.845 28.509 959 HZ2 LYS 114 1HZ LYS 114 15.901 5.671 28.987 960 HZ3 LYS 114 2HZ LYS 114 16.838 6.468 30.148 961 H GLU 115 H GLU 115 16.058 6.117 24.657 962 HA GLU 115 HA GLU 115 18.484 7.566 24.919 963 HB2 GLU 115 2HB GLU 115 17.655 4.917 25.278 964 HB3 GLU 115 3HB GLU 115 18.870 4.845 24.010 965 HG2 GLU 115 2HG GLU 115 20.215 6.378 25.668 966 HG3 GLU 115 3HG GLU 115 19.143 5.641 26.858 967 H ARG 116 H ARG 116 17.147 5.612 22.259 968 HA ARG 116 HA ARG 116 19.258 6.376 20.463 969 HB2 ARG 116 2HB ARG 116 16.641 5.094 19.694 970 HB3 ARG 116 3HB ARG 116 18.183 5.001 18.853 971 HG2 ARG 116 2HG ARG 116 17.502 3.745 21.504 972 HG3 ARG 116 3HG ARG 116 17.727 2.914 19.963 973 HD2 ARG 116 2HD ARG 116 20.070 3.838 19.938 974 HD3 ARG 116 3HD ARG 116 19.796 4.368 21.596 975 HE ARG 116 HE ARG 116 20.051 2.203 22.293 976 HH11 ARG 116 1HH1 ARG 116 19.544 2.242 18.849 977 HH12 ARG 116 2HH1 ARG 116 19.885 0.555 18.649 978 HH21 ARG 116 1HH2 ARG 116 20.502 -0.019 22.042 979 HH22 ARG 116 2HH2 ARG 116 20.428 -0.730 20.466 980 H ASN 117 H ASN 117 16.295 7.731 21.449 981 HA ASN 117 HA ASN 117 15.138 9.582 20.812 982 HB2 ASN 117 2HB ASN 117 17.454 10.280 19.013 983 HB3 ASN 117 3HB ASN 117 16.326 11.374 19.808 984 HD21 ASN 117 1HD2 ASN 117 16.555 11.787 22.013 985 HD22 ASN 117 2HD2 ASN 117 18.026 11.450 22.854 986 H ILE 118 H ILE 118 14.517 7.254 19.466 987 HA ILE 118 HA ILE 118 14.534 7.423 16.667 988 HB ILE 118 HB ILE 118 12.428 6.093 18.373 989 HG12 ILE 118 2HG1 ILE 118 14.705 5.376 18.999 990 HG13 ILE 118 3HG1 ILE 118 13.802 4.078 18.225 991 HG21 ILE 118 1HG2 ILE 118 13.337 5.498 15.561 992 HG22 ILE 118 2HG2 ILE 118 12.072 4.657 16.455 993 HG23 ILE 118 3HG2 ILE 118 11.852 6.345 15.994 994 HD11 ILE 118 3HD1 ILE 118 16.201 4.320 17.532 995 HD12 ILE 118 1HD1 ILE 118 15.024 4.304 16.219 996 HD13 ILE 118 2HD1 ILE 118 15.739 5.828 16.744 997 H PHE 119 H PHE 119 11.986 8.321 18.990 998 HA PHE 119 HA PHE 119 10.604 9.772 16.850 999 HB2 PHE 119 2HB PHE 119 9.566 9.289 19.640 1000 HB3 PHE 119 3HB PHE 119 8.648 9.704 18.196 1001 HD1 PHE 119 HD1 PHE 119 9.740 7.806 16.238 1002 HD2 PHE 119 HD2 PHE 119 8.698 7.256 20.328 1003 HE1 PHE 119 HE1 PHE 119 9.333 5.417 15.810 1004 HE2 PHE 119 HE2 PHE 119 8.290 4.866 19.907 1005 HZ PHE 119 HZ PHE 119 8.608 3.944 17.645 1006 H SER 120 H SER 120 9.616 11.885 17.454 1007 HA SER 120 HA SER 120 11.640 13.618 18.495 1008 HB2 SER 120 2HB SER 120 9.951 14.110 16.608 1009 HB3 SER 120 3HB SER 120 8.806 14.451 17.905 1010 HG SER 120 HG SER 120 10.090 16.276 17.048 1011 H LYS 121 H LYS 121 11.075 15.341 20.120 1012 HA LYS 121 HA LYS 121 10.589 14.235 22.612 1013 HB2 LYS 121 2HB LYS 121 11.542 16.587 21.838 1014 HB3 LYS 121 3HB LYS 121 9.892 17.101 22.165 1015 HG2 LYS 121 2HG LYS 121 11.116 17.510 24.133 1016 HG3 LYS 121 3HG LYS 121 10.148 16.068 24.450 1017 HD2 LYS 121 2HD LYS 121 12.176 15.375 25.256 1018 HD3 LYS 121 3HD LYS 121 12.313 14.840 23.579 1019 HE2 LYS 121 2HE LYS 121 14.350 15.931 24.134 1020 HE3 LYS 121 3HE LYS 121 13.450 17.021 23.080 1021 HZ1 LYS 121 3HZ LYS 121 14.526 17.687 25.471 1022 HZ2 LYS 121 1HZ LYS 121 12.904 17.421 25.872 1023 HZ3 LYS 121 2HZ LYS 121 13.305 18.549 24.678 1024 H GLN 122 H GLN 122 8.352 16.034 20.519 1025 HA GLN 122 HA GLN 122 6.145 16.042 22.224 1026 HB2 GLN 122 2HB GLN 122 6.459 16.175 19.246 1027 HB3 GLN 122 3HB GLN 122 4.852 16.070 19.953 1028 HG2 GLN 122 2HG GLN 122 5.327 18.091 21.273 1029 HG3 GLN 122 3HG GLN 122 6.900 18.210 20.485 1030 HE21 GLN 122 1HE2 GLN 122 3.664 19.074 20.356 1031 HE22 GLN 122 2HE2 GLN 122 3.629 19.708 18.749 1032 H VAL 123 H VAL 123 7.381 13.554 20.092 1033 HA VAL 123 HA VAL 123 5.069 11.866 20.305 1034 HB VAL 123 HB VAL 123 7.843 11.038 19.455 1035 HG11 VAL 123 1HG1 VAL 123 5.117 9.937 18.777 1036 HG12 VAL 123 2HG1 VAL 123 6.661 9.329 18.175 1037 HG13 VAL 123 3HG1 VAL 123 6.274 9.212 19.893 1038 HG21 VAL 123 3HG2 VAL 123 7.655 12.422 17.723 1039 HG22 VAL 123 1HG2 VAL 123 6.274 11.466 17.184 1040 HG23 VAL 123 2HG2 VAL 123 6.021 12.885 18.200 1041 H VAL 124 H VAL 124 8.385 11.695 21.605 1042 HA VAL 124 HA VAL 124 8.078 9.404 23.151 1043 HB VAL 124 HB VAL 124 9.810 11.812 23.730 1044 HG11 VAL 124 1HG1 VAL 124 10.414 10.801 25.611 1045 HG12 VAL 124 2HG1 VAL 124 9.306 9.470 25.275 1046 HG13 VAL 124 3HG1 VAL 124 10.964 9.411 24.675 1047 HG21 VAL 124 3HG2 VAL 124 9.934 10.242 21.537 1048 HG22 VAL 124 1HG2 VAL 124 11.337 11.019 22.272 1049 HG23 VAL 124 2HG2 VAL 124 10.970 9.333 22.638 1050 H ASN 125 H ASN 125 7.652 12.805 24.119 1051 HA ASN 125 HA ASN 125 6.934 12.336 26.776 1052 HB2 ASN 125 2HB ASN 125 6.423 14.576 24.850 1053 HB3 ASN 125 3HB ASN 125 5.643 14.589 26.429 1054 HD21 ASN 125 1HD2 ASN 125 7.679 16.358 25.275 1055 HD22 ASN 125 2HD2 ASN 125 9.008 16.324 26.379 1056 H ASP 126 H ASP 126 5.115 12.026 23.837 1057 HA ASP 126 HA ASP 126 2.530 12.011 25.072 1058 HB2 ASP 126 2HB ASP 126 3.621 11.578 22.355 1059 HB3 ASP 126 3HB ASP 126 2.109 10.749 22.716 1060 H ILE 127 H ILE 127 4.948 9.612 24.282 1061 HA ILE 127 HA ILE 127 3.280 7.333 24.626 1062 HB ILE 127 HB ILE 127 6.285 7.545 24.846 1063 HG12 ILE 127 2HG1 ILE 127 4.749 6.485 22.489 1064 HG13 ILE 127 3HG1 ILE 127 5.067 8.209 22.651 1065 HG21 ILE 127 1HG2 ILE 127 4.405 5.214 24.765 1066 HG22 ILE 127 2HG2 ILE 127 6.065 5.064 24.189 1067 HG23 ILE 127 3HG2 ILE 127 5.751 5.522 25.863 1068 HD11 ILE 127 3HD1 ILE 127 6.957 7.791 21.564 1069 HD12 ILE 127 1HD1 ILE 127 7.534 7.091 23.077 1070 HD13 ILE 127 2HD1 ILE 127 6.831 6.054 21.836 1071 H GLU 128 H GLU 128 5.723 8.856 26.727 1072 HA GLU 128 HA GLU 128 5.438 7.177 28.925 1073 HB2 GLU 128 2HB GLU 128 6.037 10.138 29.012 1074 HB3 GLU 128 3HB GLU 128 6.448 8.947 30.238 1075 HG2 GLU 128 2HG GLU 128 7.827 7.803 28.431 1076 HG3 GLU 128 3HG GLU 128 7.622 9.288 27.502 1077 H ARG 129 H ARG 129 3.841 10.309 28.335 1078 HA ARG 129 HA ARG 129 2.258 10.381 30.611 1079 HB2 ARG 129 2HB ARG 129 0.869 11.972 29.444 1080 HB3 ARG 129 3HB ARG 129 2.548 12.254 29.004 1081 HG2 ARG 129 2HG ARG 129 2.240 11.218 26.877 1082 HG3 ARG 129 3HG ARG 129 0.624 10.668 27.322 1083 HD2 ARG 129 2HD ARG 129 0.324 13.297 27.737 1084 HD3 ARG 129 3HD ARG 129 1.564 13.345 26.484 1085 HE ARG 129 HE ARG 129 -0.351 11.612 25.551 1086 HH11 ARG 129 1HH1 ARG 129 -0.259 14.941 26.565 1087 HH12 ARG 129 2HH1 ARG 129 -1.539 15.434 25.507 1088 HH21 ARG 129 1HH2 ARG 129 -2.038 12.249 24.154 1089 HH22 ARG 129 2HH2 ARG 129 -2.551 13.902 24.137 1090 H SER 130 H SER 130 1.874 8.545 27.678 1091 HA SER 130 HA SER 130 -0.837 7.925 27.788 1092 HB2 SER 130 2HB SER 130 1.052 7.310 26.042 1093 HB3 SER 130 3HB SER 130 1.114 5.811 26.970 1094 HG SER 130 HG SER 130 -0.805 6.729 25.236 1095 H LEU 131 H LEU 131 1.914 6.272 29.306 1096 HA LEU 131 HA LEU 131 0.261 4.311 30.586 1097 HB2 LEU 131 2HB LEU 131 3.111 5.075 31.198 1098 HB3 LEU 131 3HB LEU 131 2.288 3.598 31.696 1099 HG LEU 131 HG LEU 131 3.521 2.807 29.946 1100 HD11 LEU 131 1HD1 LEU 131 2.090 2.319 28.167 1101 HD12 LEU 131 2HD1 LEU 131 1.248 3.863 28.299 1102 HD13 LEU 131 3HD1 LEU 131 1.006 2.619 29.525 1103 HD21 LEU 131 3HD2 LEU 131 3.250 4.690 27.833 1104 HD22 LEU 131 1HD2 LEU 131 4.709 4.195 28.691 1105 HD23 LEU 131 2HD2 LEU 131 3.754 5.552 29.288 1106 H ALA 132 H ALA 132 2.002 7.212 31.664 1107 HA ALA 132 HA ALA 132 1.397 7.075 34.378 1108 HB1 ALA 132 1HB ALA 132 2.610 8.925 32.640 1109 HB2 ALA 132 2HB ALA 132 1.362 9.804 33.523 1110 HB3 ALA 132 3HB ALA 132 2.614 8.929 34.404 1111 H ALA 133 H ALA 133 -0.572 8.039 31.672 1112 HA ALA 133 HA ALA 133 -2.598 9.322 33.255 1113 HB1 ALA 133 1HB ALA 133 -2.201 8.691 30.393 1114 HB2 ALA 133 2HB ALA 133 -3.865 8.876 30.947 1115 HB3 ALA 133 3HB ALA 133 -2.712 10.192 31.166 1116 H ALA 134 H ALA 134 -1.888 6.094 32.257 1117 HA ALA 134 HA ALA 134 -4.582 5.159 32.901 1118 HB1 ALA 134 1HB ALA 134 -2.494 3.202 32.190 1119 HB2 ALA 134 2HB ALA 134 -4.162 3.340 31.633 1120 HB3 ALA 134 3HB ALA 134 -2.913 4.376 30.943 1121 H LEU 135 H LEU 135 -2.669 6.212 34.925 1122 HA LEU 135 HA LEU 135 -1.586 4.115 36.454 1123 HB2 LEU 135 2HB LEU 135 -1.312 6.728 36.579 1124 HB3 LEU 135 3HB LEU 135 -2.611 6.589 37.762 1125 HG LEU 135 HG LEU 135 -0.419 6.678 38.833 1126 HD11 LEU 135 1HD1 LEU 135 -2.455 5.039 39.469 1127 HD12 LEU 135 2HD1 LEU 135 -0.989 5.200 40.436 1128 HD13 LEU 135 3HD1 LEU 135 -1.152 3.862 39.299 1129 HD21 LEU 135 3HD2 LEU 135 1.322 5.248 38.395 1130 HD22 LEU 135 1HD2 LEU 135 0.625 5.420 36.784 1131 HD23 LEU 135 2HD2 LEU 135 0.270 3.987 37.749 1132 H GLU 136 H GLU 136 -4.773 5.603 36.411 1133 HA GLU 136 HA GLU 136 -5.721 4.270 38.753 1134 HB2 GLU 136 2HB GLU 136 -6.707 6.377 37.935 1135 HB3 GLU 136 3HB GLU 136 -7.277 5.544 36.495 1136 HG2 GLU 136 2HG GLU 136 -9.110 5.754 37.985 1137 HG3 GLU 136 3HG GLU 136 -8.625 4.060 37.971 1138 H HIS 137 H HIS 137 -7.068 2.486 38.922 1139 HA HIS 137 HA HIS 137 -6.797 0.556 36.770 1140 HB2 HIS 137 2HB HIS 137 -6.354 -0.107 39.113 1141 HB3 HIS 137 3HB HIS 137 -8.034 0.237 39.513 1142 HD1 HIS 137 HD1 HIS 137 -9.076 -1.974 39.906 1143 HD2 HIS 137 HD2 HIS 137 -6.660 -1.975 36.526 1144 HE1 HIS 137 HE1 HIS 137 -9.379 -4.243 38.864 1145 H HIS 138 H HIS 138 -8.462 -0.368 35.628 1146 HA HIS 138 HA HIS 138 -11.046 1.025 35.818 1147 HB2 HIS 138 2HB HIS 138 -9.875 1.272 33.666 1148 HB3 HIS 138 3HB HIS 138 -9.848 -0.480 33.482 1149 HD1 HIS 138 HD1 HIS 138 -12.944 1.146 34.769 1150 HD2 HIS 138 HD2 HIS 138 -11.446 -0.299 31.173 1151 HE1 HIS 138 HE1 HIS 138 -14.915 1.047 33.210 Start of MODEL 10 1 H ALA 2 H ALA 2 6.152 -2.861 -7.037 2 HA ALA 2 HA ALA 2 4.663 -1.532 -4.944 3 HB1 ALA 2 1HB ALA 2 3.640 -2.256 -7.107 4 HB2 ALA 2 2HB ALA 2 3.827 -3.926 -6.571 5 HB3 ALA 2 3HB ALA 2 2.789 -2.821 -5.669 6 H PHE 3 H PHE 3 5.256 -2.037 -2.920 7 HA PHE 3 HA PHE 3 6.406 -4.427 -2.062 8 HB2 PHE 3 2HB PHE 3 6.062 -3.651 0.163 9 HB3 PHE 3 3HB PHE 3 6.339 -2.218 -0.822 10 HD1 PHE 3 HD2 PHE 3 4.277 -0.940 -1.640 11 HD2 PHE 3 HD1 PHE 3 4.172 -3.816 1.496 12 HE1 PHE 3 HE2 PHE 3 2.164 0.026 -0.829 13 HE2 PHE 3 HE1 PHE 3 2.058 -2.855 2.311 14 HZ PHE 3 HZ PHE 3 1.052 -0.931 1.149 15 H SER 4 H SER 4 5.272 -5.718 -0.172 16 HA SER 4 HA SER 4 2.625 -6.566 -1.154 17 HB2 SER 4 2HB SER 4 4.736 -8.116 -1.470 18 HB3 SER 4 3HB SER 4 4.449 -8.497 0.227 19 HG SER 4 HG SER 4 3.158 -9.405 -1.932 20 H SER 5 H SER 5 1.404 -5.454 0.326 21 HA SER 5 HA SER 5 1.954 -5.207 3.064 22 HB2 SER 5 2HB SER 5 -0.325 -4.447 3.302 23 HB3 SER 5 3HB SER 5 0.304 -3.828 1.775 24 HG SER 5 HG SER 5 -1.815 -4.745 1.603 25 H GLU 6 H GLU 6 0.520 -7.779 1.221 26 HA GLU 6 HA GLU 6 -0.789 -9.127 3.332 27 HB2 GLU 6 2HB GLU 6 -0.748 -11.086 1.825 28 HB3 GLU 6 3HB GLU 6 -1.318 -9.630 1.022 29 HG2 GLU 6 2HG GLU 6 0.888 -9.328 0.010 30 HG3 GLU 6 3HG GLU 6 1.446 -10.801 0.802 31 H GLN 7 H GLN 7 2.509 -9.166 2.142 32 HA GLN 7 HA GLN 7 3.407 -11.468 3.477 33 HB2 GLN 7 2HB GLN 7 4.619 -9.174 2.113 34 HB3 GLN 7 3HB GLN 7 5.616 -9.834 3.404 35 HG2 GLN 7 2HG GLN 7 5.105 -12.115 2.270 36 HG3 GLN 7 3HG GLN 7 4.705 -11.118 0.872 37 HE21 GLN 7 1HE2 GLN 7 7.248 -11.651 3.273 38 HE22 GLN 7 2HE2 GLN 7 8.567 -11.318 2.208 39 H PHE 8 H PHE 8 3.445 -8.053 4.451 40 HA PHE 8 HA PHE 8 4.751 -8.354 6.894 41 HB2 PHE 8 2HB PHE 8 4.185 -6.185 5.731 42 HB3 PHE 8 3HB PHE 8 2.543 -6.368 6.340 43 HD1 PHE 8 HD1 PHE 8 5.841 -6.976 7.960 44 HD2 PHE 8 HD2 PHE 8 2.218 -4.743 7.939 45 HE1 PHE 8 HE1 PHE 8 6.504 -5.886 10.064 46 HE2 PHE 8 HE2 PHE 8 2.876 -3.648 10.041 47 HZ PHE 8 HZ PHE 8 5.022 -4.218 11.106 48 H THR 9 H THR 9 1.308 -8.586 6.109 49 HA THR 9 HA THR 9 0.483 -9.024 8.808 50 HB THR 9 HB THR 9 -0.988 -9.610 6.230 51 HG1 THR 9 HG1 THR 9 -0.302 -7.326 7.001 52 HG21 THR 9 3HG2 THR 9 -1.962 -9.440 9.083 53 HG22 THR 9 1HG2 THR 9 -1.951 -10.871 8.055 54 HG23 THR 9 2HG2 THR 9 -3.010 -9.515 7.667 55 H THR 10 H THR 10 1.384 -11.082 6.116 56 HA THR 10 HA THR 10 0.446 -13.521 7.231 57 HB THR 10 HB THR 10 2.583 -13.043 5.146 58 HG1 THR 10 HG1 THR 10 -0.045 -13.988 4.688 59 HG21 THR 10 3HG2 THR 10 1.675 -15.498 4.592 60 HG22 THR 10 1HG2 THR 10 1.455 -15.511 6.341 61 HG23 THR 10 2HG2 THR 10 3.052 -15.212 5.655 62 H LYS 11 H LYS 11 3.605 -11.912 7.206 63 HA LYS 11 HA LYS 11 4.891 -13.993 8.701 64 HB2 LYS 11 2HB LYS 11 6.834 -12.640 8.630 65 HB3 LYS 11 3HB LYS 11 6.025 -12.397 7.087 66 HG2 LYS 11 2HG LYS 11 6.455 -10.235 7.560 67 HG3 LYS 11 3HG LYS 11 4.938 -10.377 8.451 68 HD2 LYS 11 2HD LYS 11 6.049 -10.599 10.514 69 HD3 LYS 11 3HD LYS 11 7.598 -10.932 9.736 70 HE2 LYS 11 2HE LYS 11 6.106 -8.310 9.699 71 HE3 LYS 11 3HE LYS 11 7.548 -8.673 10.645 72 HZ1 LYS 11 3HZ LYS 11 7.290 -8.273 7.742 73 HZ2 LYS 11 1HZ LYS 11 8.554 -9.223 8.345 74 HZ3 LYS 11 2HZ LYS 11 8.411 -7.605 8.819 75 H LEU 12 H LEU 12 3.287 -10.976 9.446 76 HA LEU 12 HA LEU 12 4.218 -10.582 12.053 77 HB2 LEU 12 2HB LEU 12 1.876 -9.721 10.473 78 HB3 LEU 12 3HB LEU 12 1.712 -9.619 12.225 79 HG LEU 12 HG LEU 12 3.954 -8.324 10.682 80 HD11 LEU 12 1HD1 LEU 12 2.085 -7.193 9.883 81 HD12 LEU 12 2HD1 LEU 12 2.600 -6.216 11.257 82 HD13 LEU 12 3HD1 LEU 12 1.231 -7.315 11.421 83 HD21 LEU 12 3HD2 LEU 12 3.232 -7.114 13.183 84 HD22 LEU 12 1HD2 LEU 12 4.782 -7.779 12.668 85 HD23 LEU 12 2HD2 LEU 12 3.576 -8.829 13.414 86 H ASN 13 H ASN 13 1.641 -12.621 10.796 87 HA ASN 13 HA ASN 13 0.621 -13.345 13.371 88 HB2 ASN 13 2HB ASN 13 0.162 -14.274 10.561 89 HB3 ASN 13 3HB ASN 13 -0.417 -15.261 11.900 90 HD21 ASN 13 1HD2 ASN 13 -1.333 -13.010 9.763 91 HD22 ASN 13 2HD2 ASN 13 -2.604 -12.242 10.645 92 H THR 14 H THR 14 3.026 -14.620 11.178 93 HA THR 14 HA THR 14 3.373 -17.023 12.799 94 HB THR 14 HB THR 14 5.129 -17.589 11.065 95 HG1 THR 14 HG1 THR 14 5.602 -16.110 9.638 96 HG21 THR 14 3HG2 THR 14 2.644 -17.148 9.530 97 HG22 THR 14 1HG2 THR 14 2.466 -18.018 11.053 98 HG23 THR 14 2HG2 THR 14 3.556 -18.631 9.809 99 H LEU 15 H LEU 15 4.111 -14.190 13.615 100 HA LEU 15 HA LEU 15 6.968 -14.129 13.744 101 HB2 LEU 15 2HB LEU 15 4.728 -12.484 14.733 102 HB3 LEU 15 3HB LEU 15 6.216 -12.406 15.674 103 HG LEU 15 HG LEU 15 5.953 -11.762 12.738 104 HD11 LEU 15 1HD1 LEU 15 5.944 -9.528 13.274 105 HD12 LEU 15 2HD1 LEU 15 6.668 -9.793 14.860 106 HD13 LEU 15 3HD1 LEU 15 4.974 -10.198 14.586 107 HD21 LEU 15 3HD2 LEU 15 8.316 -10.710 13.670 108 HD22 LEU 15 1HD2 LEU 15 8.146 -12.177 12.706 109 HD23 LEU 15 2HD2 LEU 15 8.240 -12.283 14.464 110 H GLU 16 H GLU 16 8.285 -15.018 15.201 111 HA GLU 16 HA GLU 16 7.100 -16.081 17.681 112 HB2 GLU 16 2HB GLU 16 8.861 -17.372 15.670 113 HB3 GLU 16 3HB GLU 16 9.200 -17.724 17.359 114 HG2 GLU 16 2HG GLU 16 6.976 -18.568 17.686 115 HG3 GLU 16 3HG GLU 16 6.511 -18.080 16.057 116 H ASP 17 H ASP 17 8.657 -16.349 19.462 117 HA ASP 17 HA ASP 17 10.261 -13.984 19.742 118 HB2 ASP 17 2HB ASP 17 8.850 -15.328 21.531 119 HB3 ASP 17 3HB ASP 17 10.362 -16.207 21.734 120 H SER 18 H SER 18 11.913 -14.224 18.209 121 HA SER 18 HA SER 18 14.113 -15.901 19.115 122 HB2 SER 18 2HB SER 18 13.408 -17.457 17.562 123 HB3 SER 18 3HB SER 18 12.691 -16.238 16.509 124 HG SER 18 HG SER 18 15.449 -16.811 16.849 125 H GLN 19 H GLN 19 16.010 -14.874 18.959 126 HA GLN 19 HA GLN 19 16.224 -12.188 18.355 127 HB2 GLN 19 2HB GLN 19 17.894 -13.348 19.682 128 HB3 GLN 19 3HB GLN 19 18.374 -14.311 18.291 129 HG2 GLN 19 2HG GLN 19 20.010 -12.631 18.571 130 HG3 GLN 19 3HG GLN 19 19.049 -12.184 17.162 131 HE21 GLN 19 1HE2 GLN 19 17.408 -10.551 17.451 132 HE22 GLN 19 2HE2 GLN 19 17.632 -9.318 18.641 133 H GLU 20 H GLU 20 16.698 -14.978 16.261 134 HA GLU 20 HA GLU 20 17.685 -13.445 14.051 135 HB2 GLU 20 2HB GLU 20 16.936 -16.281 14.534 136 HB3 GLU 20 3HB GLU 20 16.913 -15.719 12.869 137 HG2 GLU 20 2HG GLU 20 19.044 -16.769 13.523 138 HG3 GLU 20 3HG GLU 20 19.223 -15.102 12.978 139 H SER 21 H SER 21 14.554 -14.663 15.081 140 HA SER 21 HA SER 21 13.130 -14.204 12.705 141 HB2 SER 21 2HB SER 21 12.272 -15.541 14.615 142 HB3 SER 21 3HB SER 21 12.083 -14.053 15.543 143 HG SER 21 HG SER 21 10.164 -14.854 14.398 144 H ILE 22 H ILE 22 13.623 -12.135 15.551 145 HA ILE 22 HA ILE 22 12.062 -9.972 14.788 146 HB ILE 22 HB ILE 22 14.674 -9.884 16.302 147 HG12 ILE 22 2HG1 ILE 22 12.970 -11.405 17.278 148 HG13 ILE 22 3HG1 ILE 22 13.318 -10.023 18.311 149 HG21 ILE 22 1HG2 ILE 22 13.683 -7.804 17.286 150 HG22 ILE 22 2HG2 ILE 22 14.123 -7.681 15.583 151 HG23 ILE 22 3HG2 ILE 22 12.434 -7.889 16.044 152 HD11 ILE 22 3HD1 ILE 22 11.278 -8.960 17.684 153 HD12 ILE 22 1HD1 ILE 22 10.962 -10.180 16.451 154 HD13 ILE 22 2HD1 ILE 22 10.915 -10.619 18.159 155 H SER 23 H SER 23 15.538 -10.481 14.191 156 HA SER 23 HA SER 23 15.846 -8.140 12.616 157 HB2 SER 23 2HB SER 23 17.655 -9.551 13.826 158 HB3 SER 23 3HB SER 23 17.630 -10.551 12.374 159 HG SER 23 HG SER 23 18.387 -7.854 12.664 160 H SER 24 H SER 24 14.871 -11.407 11.922 161 HA SER 24 HA SER 24 15.346 -11.491 9.167 162 HB2 SER 24 2HB SER 24 14.704 -13.459 10.531 163 HB3 SER 24 3HB SER 24 13.075 -12.801 10.683 164 HG SER 24 HG SER 24 13.113 -14.267 8.989 165 H ALA 25 H ALA 25 12.434 -10.486 10.944 166 HA ALA 25 HA ALA 25 11.071 -9.669 8.550 167 HB1 ALA 25 1HB ALA 25 9.404 -10.118 9.968 168 HB2 ALA 25 2HB ALA 25 10.436 -9.916 11.385 169 HB3 ALA 25 3HB ALA 25 9.700 -8.507 10.622 170 H SER 26 H SER 26 12.734 -8.037 11.216 171 HA SER 26 HA SER 26 12.126 -5.405 10.618 172 HB2 SER 26 2HB SER 26 13.895 -4.797 12.018 173 HB3 SER 26 3HB SER 26 13.508 -6.423 12.579 174 HG SER 26 HG SER 26 15.785 -5.481 11.420 175 H LYS 27 H LYS 27 14.745 -7.420 9.331 176 HA LYS 27 HA LYS 27 16.058 -5.518 7.796 177 HB2 LYS 27 2HB LYS 27 15.708 -8.485 7.535 178 HB3 LYS 27 3HB LYS 27 16.546 -7.588 6.275 179 HG2 LYS 27 2HG LYS 27 18.349 -7.154 7.586 180 HG3 LYS 27 3HG LYS 27 17.403 -7.136 9.076 181 HD2 LYS 27 2HD LYS 27 18.529 -9.107 9.353 182 HD3 LYS 27 3HD LYS 27 17.101 -9.697 8.499 183 HE2 LYS 27 2HE LYS 27 19.516 -8.833 6.962 184 HE3 LYS 27 3HE LYS 27 19.481 -10.423 7.722 185 HZ1 LYS 27 3HZ LYS 27 18.586 -10.943 5.721 186 HZ2 LYS 27 1HZ LYS 27 17.926 -9.406 5.469 187 HZ3 LYS 27 2HZ LYS 27 17.157 -10.497 6.509 188 H TRP 28 H TRP 28 13.255 -7.520 6.972 189 HA TRP 28 HA TRP 28 13.040 -6.681 4.285 190 HB2 TRP 28 2HB TRP 28 11.928 -8.699 5.173 191 HB3 TRP 28 3HB TRP 28 10.862 -7.679 6.135 192 HD1 TRP 28 HD1 TRP 28 11.788 -7.768 2.352 193 HE1 TRP 28 HE1 TRP 28 9.601 -7.583 1.009 194 HE3 TRP 28 HE3 TRP 28 8.472 -7.494 6.234 195 HZ2 TRP 28 HZ2 TRP 28 6.835 -7.351 1.526 196 HZ3 TRP 28 HZ3 TRP 28 6.074 -7.291 5.724 197 HH2 TRP 28 HH2 TRP 28 5.274 -7.221 3.418 198 H LEU 29 H LEU 29 11.412 -5.563 7.242 199 HA LEU 29 HA LEU 29 9.798 -3.614 6.050 200 HB2 LEU 29 2HB LEU 29 10.922 -3.968 8.802 201 HB3 LEU 29 3HB LEU 29 10.000 -2.523 8.392 202 HG LEU 29 HG LEU 29 8.749 -5.147 7.795 203 HD11 LEU 29 1HD1 LEU 29 8.238 -4.261 10.522 204 HD12 LEU 29 2HD1 LEU 29 9.889 -4.828 10.271 205 HD13 LEU 29 3HD1 LEU 29 8.527 -5.881 9.889 206 HD21 LEU 29 3HD2 LEU 29 7.147 -3.654 7.359 207 HD22 LEU 29 1HD2 LEU 29 7.989 -2.369 8.226 208 HD23 LEU 29 2HD2 LEU 29 6.972 -3.508 9.109 209 H LEU 30 H LEU 30 13.160 -3.560 7.010 210 HA LEU 30 HA LEU 30 13.625 -0.811 7.024 211 HB2 LEU 30 2HB LEU 30 15.142 -3.038 7.394 212 HB3 LEU 30 3HB LEU 30 15.760 -2.451 5.852 213 HG LEU 30 HG LEU 30 17.161 -1.589 7.572 214 HD11 LEU 30 1HD1 LEU 30 15.275 0.608 6.735 215 HD12 LEU 30 2HD1 LEU 30 16.570 -0.052 5.735 216 HD13 LEU 30 3HD1 LEU 30 16.957 0.789 7.236 217 HD21 LEU 30 3HD2 LEU 30 15.462 -1.899 9.395 218 HD22 LEU 30 1HD2 LEU 30 14.741 -0.372 8.887 219 HD23 LEU 30 2HD2 LEU 30 16.399 -0.407 9.489 220 H LEU 31 H LEU 31 13.155 -3.015 4.384 221 HA LEU 31 HA LEU 31 14.044 -1.040 2.425 222 HB2 LEU 31 2HB LEU 31 12.859 -3.702 1.748 223 HB3 LEU 31 3HB LEU 31 14.016 -2.736 0.834 224 HG LEU 31 HG LEU 31 14.574 -4.332 3.333 225 HD11 LEU 31 1HD1 LEU 31 15.715 -4.688 0.575 226 HD12 LEU 31 2HD1 LEU 31 14.282 -5.548 1.139 227 HD13 LEU 31 3HD1 LEU 31 15.828 -5.780 1.956 228 HD21 LEU 31 3HD2 LEU 31 16.402 -2.584 1.689 229 HD22 LEU 31 1HD2 LEU 31 16.915 -3.670 2.980 230 HD23 LEU 31 2HD2 LEU 31 15.881 -2.290 3.348 231 H GLN 32 H GLN 32 11.486 -1.049 4.169 232 HA GLN 32 HA GLN 32 9.601 -0.590 1.951 233 HB2 GLN 32 2HB GLN 32 8.869 -1.287 4.796 234 HB3 GLN 32 3HB GLN 32 7.787 -1.188 3.413 235 HG2 GLN 32 2HG GLN 32 9.822 -3.280 4.062 236 HG3 GLN 32 3HG GLN 32 8.101 -3.466 3.729 237 HE21 GLN 32 1HE2 GLN 32 7.778 -2.090 1.425 238 HE22 GLN 32 2HE2 GLN 32 8.695 -2.818 0.155 239 H TYR 33 H TYR 33 11.509 1.312 3.009 240 HA TYR 33 HA TYR 33 10.430 3.107 4.846 241 HB2 TYR 33 2HB TYR 33 11.892 4.811 3.621 242 HB3 TYR 33 3HB TYR 33 12.703 3.396 4.283 243 HD1 TYR 33 HD1 TYR 33 11.141 4.601 1.111 244 HD2 TYR 33 HD2 TYR 33 14.152 2.204 2.926 245 HE1 TYR 33 HE1 TYR 33 12.080 4.111 -1.108 246 HE2 TYR 33 HE2 TYR 33 15.100 1.708 0.711 247 HH TYR 33 HH TYR 33 13.691 3.093 -2.243 248 H ARG 34 H ARG 34 9.592 2.505 1.557 249 HA ARG 34 HA ARG 34 8.341 5.017 1.029 250 HB2 ARG 34 2HB ARG 34 7.986 2.326 -0.304 251 HB3 ARG 34 3HB ARG 34 7.351 3.847 -0.917 252 HG2 ARG 34 2HG ARG 34 9.888 4.565 -0.736 253 HG3 ARG 34 3HG ARG 34 10.134 2.823 -0.884 254 HD2 ARG 34 2HD ARG 34 8.342 4.311 -2.773 255 HD3 ARG 34 3HD ARG 34 10.085 4.245 -3.029 256 HE ARG 34 HE ARG 34 9.152 1.639 -2.627 257 HH11 ARG 34 1HH1 ARG 34 8.911 4.213 -4.958 258 HH12 ARG 34 2HH1 ARG 34 8.673 3.148 -6.304 259 HH21 ARG 34 1HH2 ARG 34 8.839 0.226 -4.391 260 HH22 ARG 34 2HH2 ARG 34 8.631 0.880 -5.980 261 H ASP 35 H ASP 35 7.316 1.978 2.423 262 HA ASP 35 HA ASP 35 4.526 2.831 2.478 263 HB2 ASP 35 2HB ASP 35 5.511 0.301 3.745 264 HB3 ASP 35 3HB ASP 35 3.962 0.632 2.974 265 H ALA 36 H ALA 36 6.223 4.454 3.968 266 HA ALA 36 HA ALA 36 6.595 3.856 6.638 267 HB1 ALA 36 1HB ALA 36 5.832 6.540 6.608 268 HB2 ALA 36 2HB ALA 36 7.467 5.893 6.471 269 HB3 ALA 36 3HB ALA 36 6.530 6.237 5.017 270 HA PRO 37 HA PRO 37 2.201 5.565 7.672 271 HB2 PRO 37 2HB PRO 37 0.535 6.091 5.594 272 HB3 PRO 37 3HB PRO 37 1.648 7.292 6.261 273 HG2 PRO 37 2HG PRO 37 1.950 5.574 3.828 274 HG3 PRO 37 3HG PRO 37 2.335 7.292 4.039 275 HD2 PRO 37 2HD PRO 37 4.226 5.355 4.115 276 HD3 PRO 37 3HD PRO 37 4.344 6.844 5.075 277 H LYS 38 H LYS 38 2.376 3.568 4.755 278 HA LYS 38 HA LYS 38 0.009 2.114 5.128 279 HB2 LYS 38 2HB LYS 38 2.470 1.820 3.532 280 HB3 LYS 38 3HB LYS 38 1.626 0.316 3.877 281 HG2 LYS 38 2HG LYS 38 0.366 2.743 2.617 282 HG3 LYS 38 3HG LYS 38 0.962 1.334 1.735 283 HD2 LYS 38 2HD LYS 38 -0.614 -0.076 3.045 284 HD3 LYS 38 3HD LYS 38 -1.268 1.396 3.768 285 HE2 LYS 38 2HE LYS 38 -1.185 0.880 0.801 286 HE3 LYS 38 3HE LYS 38 -2.569 0.491 1.821 287 HZ1 LYS 38 3HZ LYS 38 -1.422 3.216 1.708 288 HZ2 LYS 38 1HZ LYS 38 -2.938 2.740 2.287 289 HZ3 LYS 38 2HZ LYS 38 -2.617 2.702 0.627 290 H VAL 39 H VAL 39 3.355 1.202 5.963 291 HA VAL 39 HA VAL 39 2.643 -1.162 7.335 292 HB VAL 39 HB VAL 39 5.124 0.507 7.760 293 HG11 VAL 39 1HG1 VAL 39 5.271 -2.412 7.941 294 HG12 VAL 39 2HG1 VAL 39 5.956 -1.172 8.993 295 HG13 VAL 39 3HG1 VAL 39 4.270 -1.657 9.181 296 HG21 VAL 39 3HG2 VAL 39 5.770 -0.022 5.702 297 HG22 VAL 39 1HG2 VAL 39 5.598 -1.734 6.086 298 HG23 VAL 39 2HG2 VAL 39 4.232 -0.838 5.421 299 H ALA 40 H ALA 40 3.063 2.173 8.372 300 HA ALA 40 HA ALA 40 3.063 1.755 11.146 301 HB1 ALA 40 1HB ALA 40 1.925 4.186 10.962 302 HB2 ALA 40 2HB ALA 40 3.654 3.897 10.758 303 HB3 ALA 40 3HB ALA 40 2.611 4.043 9.343 304 H GLU 41 H GLU 41 0.370 2.516 8.941 305 HA GLU 41 HA GLU 41 -1.632 2.413 10.940 306 HB2 GLU 41 2HB GLU 41 -1.909 3.562 8.763 307 HB3 GLU 41 3HB GLU 41 -1.921 1.998 7.960 308 HG2 GLU 41 2HG GLU 41 -3.913 1.426 9.415 309 HG3 GLU 41 3HG GLU 41 -3.964 3.136 9.838 310 H MET 42 H MET 42 -0.575 0.051 8.502 311 HA MET 42 HA MET 42 -2.382 -1.979 9.137 312 HB2 MET 42 2HB MET 42 -1.272 -2.417 7.174 313 HB3 MET 42 3HB MET 42 0.277 -1.866 7.801 314 HG2 MET 42 2HG MET 42 0.311 -4.250 7.394 315 HG3 MET 42 3HG MET 42 0.480 -3.907 9.114 316 HE1 MET 42 3HE MET 42 -0.074 -6.721 9.093 317 HE2 MET 42 1HE MET 42 -0.366 -5.715 10.512 318 HE3 MET 42 2HE MET 42 -1.575 -6.894 10.004 319 H TRP 43 H TRP 43 0.893 -1.380 10.378 320 HA TRP 43 HA TRP 43 1.033 -3.615 12.069 321 HB2 TRP 43 2HB TRP 43 2.983 -2.226 11.427 322 HB3 TRP 43 3HB TRP 43 2.365 -0.924 12.439 323 HD1 TRP 43 HD1 TRP 43 3.888 -4.446 12.716 324 HE1 TRP 43 HE1 TRP 43 4.857 -4.725 15.084 325 HE3 TRP 43 HE3 TRP 43 2.220 -0.084 14.795 326 HZ2 TRP 43 HZ2 TRP 43 4.907 -3.287 17.512 327 HZ3 TRP 43 HZ3 TRP 43 2.771 0.388 17.146 328 HH2 TRP 43 HH2 TRP 43 4.086 -1.182 18.475 329 H LYS 44 H LYS 44 0.103 -0.254 12.785 330 HA LYS 44 HA LYS 44 -0.481 -0.640 15.500 331 HB2 LYS 44 2HB LYS 44 -0.212 1.584 14.581 332 HB3 LYS 44 3HB LYS 44 -1.599 1.355 13.523 333 HG2 LYS 44 2HG LYS 44 -2.518 0.875 16.131 334 HG3 LYS 44 3HG LYS 44 -1.510 2.322 16.214 335 HD2 LYS 44 2HD LYS 44 -3.419 2.143 13.956 336 HD3 LYS 44 3HD LYS 44 -4.105 2.390 15.563 337 HE2 LYS 44 2HE LYS 44 -1.789 4.072 14.772 338 HE3 LYS 44 3HE LYS 44 -3.344 4.412 14.015 339 HZ1 LYS 44 3HZ LYS 44 -3.554 4.050 16.847 340 HZ2 LYS 44 1HZ LYS 44 -4.111 5.321 15.878 341 HZ3 LYS 44 2HZ LYS 44 -2.516 5.323 16.441 342 H GLU 45 H GLU 45 -2.763 -0.420 12.762 343 HA GLU 45 HA GLU 45 -5.078 -1.063 14.127 344 HB2 GLU 45 2HB GLU 45 -6.071 -1.514 12.032 345 HB3 GLU 45 3HB GLU 45 -4.832 -0.308 11.711 346 HG2 GLU 45 2HG GLU 45 -3.342 -2.015 10.868 347 HG3 GLU 45 3HG GLU 45 -4.516 -3.268 11.266 348 H TYR 46 H TYR 46 -2.585 -3.186 12.853 349 HA TYR 46 HA TYR 46 -4.045 -5.602 13.327 350 HB2 TYR 46 2HB TYR 46 -2.417 -5.800 11.655 351 HB3 TYR 46 3HB TYR 46 -1.197 -4.966 12.610 352 HD1 TYR 46 HD1 TYR 46 0.053 -6.146 14.339 353 HD2 TYR 46 HD2 TYR 46 -2.860 -8.160 11.981 354 HE1 TYR 46 HE1 TYR 46 0.950 -8.309 15.089 355 HE2 TYR 46 HE2 TYR 46 -1.971 -10.329 12.725 356 HH TYR 46 HH TYR 46 0.669 -10.991 13.720 357 H MET 47 H MET 47 -1.893 -3.585 15.173 358 HA MET 47 HA MET 47 -1.431 -5.568 17.220 359 HB2 MET 47 2HB MET 47 -0.760 -2.632 17.024 360 HB3 MET 47 3HB MET 47 -0.368 -3.617 18.427 361 HG2 MET 47 2HG MET 47 0.520 -4.539 15.744 362 HG3 MET 47 3HG MET 47 1.375 -3.204 16.513 363 HE1 MET 47 3HE MET 47 3.459 -4.331 18.993 364 HE2 MET 47 1HE MET 47 2.210 -3.135 18.648 365 HE3 MET 47 2HE MET 47 1.936 -4.364 19.882 366 H LEU 48 H LEU 48 -3.790 -3.182 16.517 367 HA LEU 48 HA LEU 48 -4.782 -3.186 19.276 368 HB2 LEU 48 2HB LEU 48 -5.683 -1.535 16.921 369 HB3 LEU 48 3HB LEU 48 -6.213 -1.348 18.592 370 HG LEU 48 HG LEU 48 -3.397 -0.880 17.614 371 HD11 LEU 48 1HD1 LEU 48 -5.280 0.706 16.833 372 HD12 LEU 48 2HD1 LEU 48 -3.825 1.396 17.549 373 HD13 LEU 48 3HD1 LEU 48 -5.296 1.251 18.510 374 HD21 LEU 48 3HD2 LEU 48 -2.811 -0.785 19.751 375 HD22 LEU 48 1HD2 LEU 48 -4.429 -1.326 20.197 376 HD23 LEU 48 2HD2 LEU 48 -4.077 0.398 20.079 377 H ARG 49 H ARG 49 -5.015 -5.544 17.665 378 HA ARG 49 HA ARG 49 -7.933 -5.660 17.273 379 HB2 ARG 49 2HB ARG 49 -5.658 -6.926 15.824 380 HB3 ARG 49 3HB ARG 49 -7.152 -7.844 15.967 381 HG2 ARG 49 2HG ARG 49 -8.364 -6.307 14.716 382 HG3 ARG 49 3HG ARG 49 -7.177 -5.025 14.965 383 HD2 ARG 49 2HD ARG 49 -6.607 -5.594 12.843 384 HD3 ARG 49 3HD ARG 49 -5.621 -6.778 13.700 385 HE ARG 49 HE ARG 49 -8.246 -7.744 13.083 386 HH11 ARG 49 1HH1 ARG 49 -5.028 -7.279 11.841 387 HH12 ARG 49 2HH1 ARG 49 -5.157 -8.547 10.667 388 HH21 ARG 49 1HH2 ARG 49 -8.428 -9.416 11.543 389 HH22 ARG 49 2HH2 ARG 49 -7.092 -9.762 10.498 390 HA PRO 50 HA PRO 50 -8.277 -8.575 20.538 391 HB2 PRO 50 2HB PRO 50 -10.352 -10.089 19.658 392 HB3 PRO 50 3HB PRO 50 -10.553 -8.437 20.254 393 HG2 PRO 50 2HG PRO 50 -10.394 -9.427 17.433 394 HG3 PRO 50 3HG PRO 50 -11.487 -8.220 18.135 395 HD2 PRO 50 2HD PRO 50 -9.291 -7.539 16.704 396 HD3 PRO 50 3HD PRO 50 -9.902 -6.548 18.044 397 H SER 51 H SER 51 -8.386 -9.997 17.277 398 HA SER 51 HA SER 51 -7.879 -12.633 17.864 399 HB2 SER 51 2HB SER 51 -8.244 -11.436 15.573 400 HB3 SER 51 3HB SER 51 -6.484 -11.335 15.542 401 HG SER 51 HG SER 51 -8.051 -13.430 14.983 402 H VAL 52 H VAL 52 -5.514 -10.020 17.448 403 HA VAL 52 HA VAL 52 -3.208 -11.598 17.793 404 HB VAL 52 HB VAL 52 -3.515 -8.675 18.484 405 HG11 VAL 52 1HG1 VAL 52 -1.051 -10.130 17.554 406 HG12 VAL 52 2HG1 VAL 52 -1.168 -8.505 18.233 407 HG13 VAL 52 3HG1 VAL 52 -1.450 -9.912 19.258 408 HG21 VAL 52 3HG2 VAL 52 -3.455 -10.084 15.905 409 HG22 VAL 52 1HG2 VAL 52 -4.080 -8.487 16.314 410 HG23 VAL 52 2HG2 VAL 52 -2.353 -8.714 16.036 411 H ASN 53 H ASN 53 -2.271 -12.439 19.544 412 HA ASN 53 HA ASN 53 -3.492 -11.929 22.146 413 HB2 ASN 53 2HB ASN 53 -1.393 -13.989 21.445 414 HB3 ASN 53 3HB ASN 53 -2.400 -13.942 22.889 415 HD21 ASN 53 1HD2 ASN 53 -4.684 -14.285 22.631 416 HD22 ASN 53 2HD2 ASN 53 -5.261 -15.265 21.330 417 H THR 54 H THR 54 -1.815 -12.102 24.031 418 HA THR 54 HA THR 54 -0.314 -9.776 24.084 419 HB THR 54 HB THR 54 0.965 -11.512 25.884 420 HG1 THR 54 HG1 THR 54 -0.452 -13.003 26.356 421 HG21 THR 54 3HG2 THR 54 -1.291 -9.536 26.149 422 HG22 THR 54 1HG2 THR 54 0.418 -9.298 26.510 423 HG23 THR 54 2HG2 THR 54 -0.565 -10.336 27.542 424 H ARG 55 H ARG 55 0.840 -13.111 23.606 425 HA ARG 55 HA ARG 55 3.545 -12.624 23.373 426 HB2 ARG 55 2HB ARG 55 2.297 -14.860 23.341 427 HB3 ARG 55 3HB ARG 55 2.101 -14.596 21.613 428 HG2 ARG 55 2HG ARG 55 4.401 -14.750 21.213 429 HG3 ARG 55 3HG ARG 55 4.798 -14.536 22.919 430 HD2 ARG 55 2HD ARG 55 3.682 -16.712 23.383 431 HD3 ARG 55 3HD ARG 55 3.478 -16.927 21.644 432 HE ARG 55 HE ARG 55 5.666 -17.559 21.520 433 HH11 ARG 55 1HH1 ARG 55 5.177 -15.811 24.491 434 HH12 ARG 55 2HH1 ARG 55 6.775 -16.116 25.086 435 HH21 ARG 55 1HH2 ARG 55 7.773 -17.967 22.293 436 HH22 ARG 55 2HH2 ARG 55 8.251 -17.341 23.834 437 H ARG 56 H ARG 56 1.181 -12.749 20.704 438 HA ARG 56 HA ARG 56 2.881 -12.068 18.629 439 HB2 ARG 56 2HB ARG 56 -0.047 -11.451 19.025 440 HB3 ARG 56 3HB ARG 56 0.807 -11.149 17.518 441 HG2 ARG 56 2HG ARG 56 0.442 -13.828 18.843 442 HG3 ARG 56 3HG ARG 56 -0.417 -13.239 17.419 443 HD2 ARG 56 2HD ARG 56 1.200 -14.361 16.317 444 HD3 ARG 56 3HD ARG 56 2.125 -12.889 16.611 445 HE ARG 56 HE ARG 56 3.463 -14.059 18.054 446 HH11 ARG 56 1HH1 ARG 56 0.568 -15.893 17.436 447 HH12 ARG 56 2HH1 ARG 56 1.136 -17.311 18.254 448 HH21 ARG 56 1HH2 ARG 56 4.221 -15.920 19.134 449 HH22 ARG 56 2HH2 ARG 56 3.213 -17.325 19.220 450 H LYS 57 H LYS 57 1.140 -9.962 20.869 451 HA LYS 57 HA LYS 57 1.823 -7.519 19.621 452 HB2 LYS 57 2HB LYS 57 1.236 -7.964 22.551 453 HB3 LYS 57 3HB LYS 57 1.076 -6.458 21.658 454 HG2 LYS 57 2HG LYS 57 -0.485 -8.487 20.386 455 HG3 LYS 57 3HG LYS 57 -0.878 -8.424 22.105 456 HD2 LYS 57 2HD LYS 57 -1.175 -5.963 21.883 457 HD3 LYS 57 3HD LYS 57 -0.931 -6.132 20.143 458 HE2 LYS 57 2HE LYS 57 -3.038 -6.784 19.837 459 HE3 LYS 57 3HE LYS 57 -2.911 -8.000 21.107 460 HZ1 LYS 57 3HZ LYS 57 -3.740 -5.176 21.342 461 HZ2 LYS 57 1HZ LYS 57 -3.193 -6.039 22.690 462 HZ3 LYS 57 2HZ LYS 57 -4.561 -6.565 21.848 463 H LEU 58 H LEU 58 3.238 -9.205 22.420 464 HA LEU 58 HA LEU 58 5.245 -7.423 23.054 465 HB2 LEU 58 2HB LEU 58 4.668 -9.441 24.348 466 HB3 LEU 58 3HB LEU 58 5.431 -10.432 23.107 467 HG LEU 58 HG LEU 58 6.733 -9.958 25.268 468 HD11 LEU 58 1HD1 LEU 58 8.759 -10.186 24.143 469 HD12 LEU 58 2HD1 LEU 58 8.218 -9.219 22.772 470 HD13 LEU 58 3HD1 LEU 58 7.576 -10.844 23.012 471 HD21 LEU 58 3HD2 LEU 58 6.155 -7.406 24.890 472 HD22 LEU 58 1HD2 LEU 58 7.639 -7.459 23.939 473 HD23 LEU 58 2HD2 LEU 58 7.668 -7.911 25.644 474 H LEU 59 H LEU 59 5.302 -10.019 20.640 475 HA LEU 59 HA LEU 59 7.994 -9.626 19.855 476 HB2 LEU 59 2HB LEU 59 5.688 -10.826 18.327 477 HB3 LEU 59 3HB LEU 59 7.387 -10.952 17.873 478 HG LEU 59 HG LEU 59 6.050 -12.177 20.283 479 HD11 LEU 59 1HD1 LEU 59 5.572 -13.488 18.396 480 HD12 LEU 59 2HD1 LEU 59 6.954 -14.271 19.162 481 HD13 LEU 59 3HD1 LEU 59 7.190 -13.270 17.729 482 HD21 LEU 59 3HD2 LEU 59 8.222 -13.119 20.830 483 HD22 LEU 59 1HD2 LEU 59 8.293 -11.356 20.846 484 HD23 LEU 59 2HD2 LEU 59 8.958 -12.253 19.480 485 H GLY 60 H GLY 60 4.911 -8.502 18.483 486 HA2 GLY 60 2HA GLY 60 5.867 -7.185 16.241 487 HA3 GLY 60 3HA GLY 60 4.435 -6.702 17.139 488 H LEU 61 H LEU 61 5.626 -5.970 19.562 489 HA LEU 61 HA LEU 61 6.333 -3.319 19.066 490 HB2 LEU 61 2HB LEU 61 5.585 -4.636 21.247 491 HB3 LEU 61 3HB LEU 61 7.323 -4.627 21.542 492 HG LEU 61 HG LEU 61 5.492 -2.247 21.284 493 HD11 LEU 61 1HD1 LEU 61 6.253 -3.815 23.469 494 HD12 LEU 61 2HD1 LEU 61 5.455 -2.243 23.501 495 HD13 LEU 61 3HD1 LEU 61 7.214 -2.341 23.584 496 HD21 LEU 61 3HD2 LEU 61 7.535 -0.902 21.710 497 HD22 LEU 61 1HD2 LEU 61 7.529 -1.697 20.136 498 HD23 LEU 61 2HD2 LEU 61 8.501 -2.356 21.452 499 H TYR 62 H TYR 62 8.403 -6.081 19.926 500 HA TYR 62 HA TYR 62 10.836 -4.659 19.868 501 HB2 TYR 62 2HB TYR 62 10.062 -7.541 19.789 502 HB3 TYR 62 3HB TYR 62 11.714 -7.110 19.363 503 HD1 TYR 62 HD1 TYR 62 12.935 -5.534 21.077 504 HD2 TYR 62 HD2 TYR 62 9.545 -7.930 22.011 505 HE1 TYR 62 HE1 TYR 62 13.529 -5.433 23.461 506 HE2 TYR 62 HE2 TYR 62 10.129 -7.834 24.399 507 HH TYR 62 HH TYR 62 12.961 -6.009 25.526 508 H LEU 63 H LEU 63 8.918 -6.167 17.373 509 HA LEU 63 HA LEU 63 10.894 -6.271 15.356 510 HB2 LEU 63 2HB LEU 63 8.606 -7.407 15.429 511 HB3 LEU 63 3HB LEU 63 7.959 -5.870 14.860 512 HG LEU 63 HG LEU 63 9.722 -6.190 12.944 513 HD11 LEU 63 1HD1 LEU 63 9.188 -9.035 13.017 514 HD12 LEU 63 2HD1 LEU 63 10.184 -8.512 14.374 515 HD13 LEU 63 3HD1 LEU 63 10.699 -8.175 12.722 516 HD21 LEU 63 3HD2 LEU 63 7.974 -6.739 11.609 517 HD22 LEU 63 1HD2 LEU 63 7.064 -6.377 13.076 518 HD23 LEU 63 2HD2 LEU 63 7.437 -8.050 12.661 519 H MET 64 H MET 64 8.264 -3.919 15.893 520 HA MET 64 HA MET 64 9.096 -2.129 13.882 521 HB2 MET 64 2HB MET 64 7.433 -0.693 14.657 522 HB3 MET 64 3HB MET 64 6.836 -2.277 15.133 523 HG2 MET 64 2HG MET 64 6.497 -1.226 17.092 524 HG3 MET 64 3HG MET 64 8.187 -1.656 17.347 525 HE1 MET 64 3HE MET 64 6.164 1.418 18.360 526 HE2 MET 64 1HE MET 64 7.105 0.125 19.104 527 HE3 MET 64 2HE MET 64 7.753 1.764 19.045 528 H ASN 65 H ASN 65 10.015 -2.524 17.230 529 HA ASN 65 HA ASN 65 11.337 -0.008 17.487 530 HB2 ASN 65 2HB ASN 65 10.480 -1.697 19.320 531 HB3 ASN 65 3HB ASN 65 12.096 -2.378 19.150 532 HD21 ASN 65 1HD2 ASN 65 12.209 -1.719 21.428 533 HD22 ASN 65 2HD2 ASN 65 12.709 -0.105 21.790 534 H HIS 66 H HIS 66 12.285 -3.215 16.445 535 HA HIS 66 HA HIS 66 15.096 -2.711 16.467 536 HB2 HIS 66 2HB HIS 66 13.829 -4.984 16.476 537 HB3 HIS 66 3HB HIS 66 13.792 -4.782 14.726 538 HD1 HIS 66 HD1 HIS 66 16.165 -5.354 17.577 539 HD2 HIS 66 HD2 HIS 66 16.207 -5.219 13.424 540 HE1 HIS 66 HE1 HIS 66 18.412 -6.256 16.897 541 H VAL 67 H VAL 67 12.585 -2.664 13.968 542 HA VAL 67 HA VAL 67 14.305 -2.089 11.801 543 HB VAL 67 HB VAL 67 12.083 -2.944 11.387 544 HG11 VAL 67 1HG1 VAL 67 11.001 -0.327 12.417 545 HG12 VAL 67 2HG1 VAL 67 10.076 -1.719 11.851 546 HG13 VAL 67 3HG1 VAL 67 11.013 -1.828 13.341 547 HG21 VAL 67 3HG2 VAL 67 11.488 -1.588 9.554 548 HG22 VAL 67 1HG2 VAL 67 12.101 -0.129 10.333 549 HG23 VAL 67 2HG2 VAL 67 13.225 -1.360 9.757 550 H VAL 68 H VAL 68 12.399 -0.013 13.951 551 HA VAL 68 HA VAL 68 13.083 2.420 12.650 552 HB VAL 68 HB VAL 68 12.189 3.538 14.632 553 HG11 VAL 68 1HG1 VAL 68 10.273 3.160 13.563 554 HG12 VAL 68 2HG1 VAL 68 10.783 1.541 13.079 555 HG13 VAL 68 3HG1 VAL 68 10.028 1.795 14.653 556 HG21 VAL 68 3HG2 VAL 68 11.208 1.962 16.425 557 HG22 VAL 68 1HG2 VAL 68 12.369 0.787 15.806 558 HG23 VAL 68 2HG2 VAL 68 12.934 2.320 16.471 559 H GLN 69 H GLN 69 14.479 0.588 15.308 560 HA GLN 69 HA GLN 69 16.260 2.552 16.247 561 HB2 GLN 69 2HB GLN 69 16.028 -0.401 16.483 562 HB3 GLN 69 3HB GLN 69 17.590 0.312 16.866 563 HG2 GLN 69 2HG GLN 69 16.572 1.727 18.540 564 HG3 GLN 69 3HG GLN 69 14.974 1.114 18.119 565 HE21 GLN 69 1HE2 GLN 69 14.483 0.233 20.070 566 HE22 GLN 69 2HE2 GLN 69 15.320 -1.115 20.752 567 H GLN 70 H GLN 70 16.677 -0.033 13.849 568 HA GLN 70 HA GLN 70 19.389 0.664 13.275 569 HB2 GLN 70 2HB GLN 70 17.372 -1.184 12.056 570 HB3 GLN 70 3HB GLN 70 18.852 -0.815 11.182 571 HG2 GLN 70 2HG GLN 70 19.051 -1.689 14.016 572 HG3 GLN 70 3HG GLN 70 18.684 -2.889 12.778 573 HE21 GLN 70 1HE2 GLN 70 20.158 -2.637 10.780 574 HE22 GLN 70 2HE2 GLN 70 21.844 -2.477 11.124 575 H ALA 71 H ALA 71 16.265 1.562 12.004 576 HA ALA 71 HA ALA 71 16.906 2.577 9.521 577 HB1 ALA 71 1HB ALA 71 14.751 2.877 11.410 578 HB2 ALA 71 2HB ALA 71 15.078 4.399 10.581 579 HB3 ALA 71 3HB ALA 71 14.719 2.947 9.647 580 H LYS 72 H LYS 72 17.591 3.898 12.677 581 HA LYS 72 HA LYS 72 18.108 6.554 12.045 582 HB2 LYS 72 2HB LYS 72 19.100 4.676 14.144 583 HB3 LYS 72 3HB LYS 72 19.908 6.228 13.961 584 HG2 LYS 72 2HG LYS 72 16.943 6.195 14.155 585 HG3 LYS 72 3HG LYS 72 17.891 5.913 15.617 586 HD2 LYS 72 2HD LYS 72 18.600 8.216 13.862 587 HD3 LYS 72 3HD LYS 72 17.184 8.346 14.907 588 HE2 LYS 72 2HE LYS 72 18.797 9.155 16.313 589 HE3 LYS 72 3HE LYS 72 18.861 7.442 16.725 590 HZ1 LYS 72 3HZ LYS 72 20.598 8.445 14.583 591 HZ2 LYS 72 1HZ LYS 72 20.847 7.164 15.660 592 HZ3 LYS 72 2HZ LYS 72 21.027 8.760 16.189 593 H GLY 73 H GLY 73 20.149 3.700 11.682 594 HA2 GLY 73 2HA GLY 73 22.444 5.237 10.842 595 HA3 GLY 73 3HA GLY 73 22.302 3.485 10.845 596 H GLN 74 H GLN 74 19.724 3.741 9.301 597 HA GLN 74 HA GLN 74 20.976 3.795 6.679 598 HB2 GLN 74 2HB GLN 74 18.373 2.796 7.764 599 HB3 GLN 74 3HB GLN 74 18.526 3.099 6.039 600 HG2 GLN 74 2HG GLN 74 18.949 0.748 6.714 601 HG3 GLN 74 3HG GLN 74 20.275 1.503 5.832 602 HE21 GLN 74 1HE2 GLN 74 19.161 0.445 8.972 603 HE22 GLN 74 2HE2 GLN 74 20.719 0.362 9.712 604 H LYS 75 H LYS 75 19.957 6.157 8.525 605 HA LYS 75 HA LYS 75 19.148 8.261 8.215 606 HB2 LYS 75 2HB LYS 75 20.045 7.507 5.453 607 HB3 LYS 75 3HB LYS 75 19.242 9.047 5.731 608 HG2 LYS 75 2HG LYS 75 21.397 9.707 5.979 609 HG3 LYS 75 3HG LYS 75 21.059 9.232 7.645 610 HD2 LYS 75 2HD LYS 75 22.159 7.145 7.362 611 HD3 LYS 75 3HD LYS 75 22.253 7.358 5.612 612 HE2 LYS 75 2HE LYS 75 24.416 7.803 6.523 613 HE3 LYS 75 3HE LYS 75 23.719 9.339 6.009 614 HZ1 LYS 75 3HZ LYS 75 23.092 8.730 8.728 615 HZ2 LYS 75 1HZ LYS 75 23.806 10.118 8.073 616 HZ3 LYS 75 2HZ LYS 75 24.763 8.781 8.470 617 H ILE 76 H ILE 76 17.153 6.547 8.621 618 HA ILE 76 HA ILE 76 15.120 7.237 6.602 619 HB ILE 76 HB ILE 76 14.838 4.996 8.587 620 HG12 ILE 76 2HG1 ILE 76 16.860 4.519 7.327 621 HG13 ILE 76 3HG1 ILE 76 15.565 3.462 6.776 622 HG21 ILE 76 1HG2 ILE 76 13.361 5.994 6.226 623 HG22 ILE 76 2HG2 ILE 76 13.440 4.246 6.439 624 HG23 ILE 76 3HG2 ILE 76 12.763 5.259 7.713 625 HD11 ILE 76 3HD1 ILE 76 16.914 4.325 4.931 626 HD12 ILE 76 1HD1 ILE 76 15.233 4.847 4.821 627 HD13 ILE 76 2HD1 ILE 76 16.470 5.971 5.385 628 H ILE 77 H ILE 77 13.939 8.904 7.265 629 HA ILE 77 HA ILE 77 13.343 9.184 10.128 630 HB ILE 77 HB ILE 77 12.942 11.244 7.959 631 HG12 ILE 77 2HG1 ILE 77 15.324 10.664 8.181 632 HG13 ILE 77 3HG1 ILE 77 15.002 12.290 8.773 633 HG21 ILE 77 1HG2 ILE 77 13.099 12.720 10.105 634 HG22 ILE 77 2HG2 ILE 77 11.587 11.911 9.697 635 HG23 ILE 77 3HG2 ILE 77 12.647 11.227 10.929 636 HD11 ILE 77 3HD1 ILE 77 14.767 10.404 10.915 637 HD12 ILE 77 1HD1 ILE 77 16.318 10.212 10.097 638 HD13 ILE 77 2HD1 ILE 77 15.852 11.784 10.748 639 H GLN 78 H GLN 78 11.934 8.408 7.107 640 HA GLN 78 HA GLN 78 9.268 9.202 7.587 641 HB2 GLN 78 2HB GLN 78 10.485 7.106 5.798 642 HB3 GLN 78 3HB GLN 78 8.751 7.390 5.861 643 HG2 GLN 78 2HG GLN 78 9.359 8.689 4.079 644 HG3 GLN 78 3HG GLN 78 9.414 9.860 5.394 645 HE21 GLN 78 1HE2 GLN 78 11.093 11.147 5.276 646 HE22 GLN 78 2HE2 GLN 78 12.667 10.730 4.697 647 H PHE 79 H PHE 79 11.101 6.338 8.446 648 HA PHE 79 HA PHE 79 8.833 4.833 9.331 649 HB2 PHE 79 2HB PHE 79 11.757 4.473 9.252 650 HB3 PHE 79 3HB PHE 79 10.951 3.669 10.594 651 HD1 PHE 79 HD2 PHE 79 8.532 2.632 9.633 652 HD2 PHE 79 HD1 PHE 79 12.219 3.028 7.544 653 HE1 PHE 79 HE2 PHE 79 7.878 0.791 8.137 654 HE2 PHE 79 HE1 PHE 79 11.570 1.188 6.044 655 HZ PHE 79 HZ PHE 79 9.398 0.067 6.340 656 H GLN 80 H GLN 80 11.314 6.797 10.913 657 HA GLN 80 HA GLN 80 10.642 6.267 13.567 658 HB2 GLN 80 2HB GLN 80 11.777 8.764 12.303 659 HB3 GLN 80 3HB GLN 80 11.663 8.514 14.040 660 HG2 GLN 80 2HG GLN 80 13.140 6.606 13.897 661 HG3 GLN 80 3HG GLN 80 13.200 6.756 12.141 662 HE21 GLN 80 1HE2 GLN 80 15.544 6.794 12.698 663 HE22 GLN 80 2HE2 GLN 80 16.262 8.333 13.015 664 H ASP 81 H ASP 81 9.342 8.659 11.312 665 HA ASP 81 HA ASP 81 7.609 9.869 13.239 666 HB2 ASP 81 2HB ASP 81 7.996 10.080 10.284 667 HB3 ASP 81 3HB ASP 81 6.502 10.698 10.983 668 H SER 82 H SER 82 7.115 7.595 10.551 669 HA SER 82 HA SER 82 4.355 7.285 10.815 670 HB2 SER 82 2HB SER 82 4.628 5.198 9.572 671 HB3 SER 82 3HB SER 82 5.666 6.450 8.888 672 HG SER 82 HG SER 82 6.504 4.168 9.448 673 H PHE 83 H PHE 83 6.947 5.230 12.145 674 HA PHE 83 HA PHE 83 5.150 3.655 13.700 675 HB2 PHE 83 2HB PHE 83 8.125 3.908 13.497 676 HB3 PHE 83 3HB PHE 83 7.431 3.046 14.866 677 HD1 PHE 83 HD2 PHE 83 5.259 1.544 13.841 678 HD2 PHE 83 HD1 PHE 83 8.980 2.429 11.973 679 HE1 PHE 83 HE2 PHE 83 5.042 -0.479 12.457 680 HE2 PHE 83 HE1 PHE 83 8.768 0.408 10.586 681 HZ PHE 83 HZ PHE 83 6.798 -1.050 10.828 682 H GLY 84 H GLY 84 6.670 6.695 14.154 683 HA2 GLY 84 2HA GLY 84 6.584 6.642 17.040 684 HA3 GLY 84 3HA GLY 84 6.982 8.024 16.031 685 H LYS 85 H LYS 85 4.494 7.696 14.454 686 HA LYS 85 HA LYS 85 2.791 9.248 16.197 687 HB2 LYS 85 2HB LYS 85 1.407 9.580 14.217 688 HB3 LYS 85 3HB LYS 85 3.097 9.894 13.846 689 HG2 LYS 85 2HG LYS 85 3.293 8.039 12.512 690 HG3 LYS 85 3HG LYS 85 1.982 7.182 13.325 691 HD2 LYS 85 2HD LYS 85 1.215 7.814 11.148 692 HD3 LYS 85 3HD LYS 85 0.390 8.831 12.331 693 HE2 LYS 85 2HE LYS 85 1.011 10.445 10.855 694 HE3 LYS 85 3HE LYS 85 2.469 10.411 11.845 695 HZ1 LYS 85 3HZ LYS 85 3.633 9.253 10.237 696 HZ2 LYS 85 1HZ LYS 85 2.698 10.311 9.306 697 HZ3 LYS 85 2HZ LYS 85 2.239 8.691 9.462 698 H VAL 86 H VAL 86 3.203 5.997 15.623 699 HA VAL 86 HA VAL 86 0.436 5.413 16.459 700 HB VAL 86 HB VAL 86 0.584 3.260 15.317 701 HG11 VAL 86 1HG1 VAL 86 0.316 5.761 14.117 702 HG12 VAL 86 2HG1 VAL 86 1.343 4.833 13.022 703 HG13 VAL 86 3HG1 VAL 86 -0.242 4.212 13.485 704 HG21 VAL 86 3HG2 VAL 86 2.496 2.931 13.691 705 HG22 VAL 86 1HG2 VAL 86 3.327 4.227 14.550 706 HG23 VAL 86 2HG2 VAL 86 2.892 2.744 15.399 707 H ALA 87 H ALA 87 3.618 5.410 17.379 708 HA ALA 87 HA ALA 87 3.741 2.952 18.830 709 HB1 ALA 87 1HB ALA 87 5.451 5.306 18.457 710 HB2 ALA 87 2HB ALA 87 5.606 4.520 20.028 711 HB3 ALA 87 3HB ALA 87 5.874 3.596 18.549 712 H ALA 88 H ALA 88 3.320 6.347 19.834 713 HA ALA 88 HA ALA 88 2.960 5.885 22.558 714 HB1 ALA 88 1HB ALA 88 3.156 8.099 21.118 715 HB2 ALA 88 2HB ALA 88 1.400 8.065 21.284 716 HB3 ALA 88 3HB ALA 88 2.421 8.092 22.722 717 H GLU 89 H GLU 89 0.742 5.545 19.883 718 HA GLU 89 HA GLU 89 -1.604 5.345 21.534 719 HB2 GLU 89 2HB GLU 89 -1.437 6.075 19.049 720 HB3 GLU 89 3HB GLU 89 -1.427 4.351 18.706 721 HG2 GLU 89 2HG GLU 89 -3.662 5.347 18.525 722 HG3 GLU 89 3HG GLU 89 -3.577 4.079 19.746 723 H VAL 90 H VAL 90 0.068 3.003 19.421 724 HA VAL 90 HA VAL 90 -1.291 0.734 20.308 725 HB VAL 90 HB VAL 90 1.536 0.910 19.255 726 HG11 VAL 90 1HG1 VAL 90 -0.217 -1.363 19.976 727 HG12 VAL 90 2HG1 VAL 90 0.704 -1.507 18.478 728 HG13 VAL 90 3HG1 VAL 90 1.541 -1.230 20.007 729 HG21 VAL 90 3HG2 VAL 90 0.671 0.654 17.097 730 HG22 VAL 90 1HG2 VAL 90 -0.911 0.150 17.693 731 HG23 VAL 90 2HG2 VAL 90 -0.404 1.832 17.851 732 H LEU 91 H LEU 91 1.971 1.828 21.259 733 HA LEU 91 HA LEU 91 2.500 -0.052 23.201 734 HB2 LEU 91 2HB LEU 91 3.250 2.868 23.210 735 HB3 LEU 91 3HB LEU 91 3.992 1.625 24.216 736 HG LEU 91 HG LEU 91 4.050 1.380 21.233 737 HD11 LEU 91 1HD1 LEU 91 5.922 2.732 21.006 738 HD12 LEU 91 2HD1 LEU 91 6.232 2.768 22.742 739 HD13 LEU 91 3HD1 LEU 91 4.877 3.674 22.070 740 HD21 LEU 91 3HD2 LEU 91 6.337 0.628 22.913 741 HD22 LEU 91 1HD2 LEU 91 5.549 -0.251 21.603 742 HD23 LEU 91 2HD2 LEU 91 4.855 -0.277 23.224 743 H GLY 92 H GLY 92 0.517 2.841 23.419 744 HA2 GLY 92 2HA GLY 92 0.191 2.719 26.263 745 HA3 GLY 92 3HA GLY 92 -0.745 3.703 25.149 746 H ARG 93 H ARG 93 -1.509 1.369 23.522 747 HA ARG 93 HA ARG 93 -3.823 0.614 25.064 748 HB2 ARG 93 2HB ARG 93 -2.938 0.348 22.244 749 HB3 ARG 93 3HB ARG 93 -4.074 -0.859 22.831 750 HG2 ARG 93 2HG ARG 93 -4.534 2.105 23.052 751 HG3 ARG 93 3HG ARG 93 -5.109 1.116 21.708 752 HD2 ARG 93 2HD ARG 93 -6.578 -0.089 23.070 753 HD3 ARG 93 3HD ARG 93 -5.753 0.405 24.548 754 HE ARG 93 HE ARG 93 -6.774 2.689 23.290 755 HH11 ARG 93 1HH1 ARG 93 -7.892 -0.177 24.920 756 HH12 ARG 93 2HH1 ARG 93 -9.349 0.562 25.497 757 HH21 ARG 93 1HH2 ARG 93 -8.689 3.673 24.044 758 HH22 ARG 93 2HH2 ARG 93 -9.802 2.751 24.998 759 H ILE 94 H ILE 94 -0.978 -1.016 23.729 760 HA ILE 94 HA ILE 94 -1.746 -3.608 24.656 761 HB ILE 94 HB ILE 94 0.468 -4.333 24.009 762 HG12 ILE 94 2HG1 ILE 94 1.093 -1.396 23.630 763 HG13 ILE 94 3HG1 ILE 94 1.735 -2.424 24.906 764 HG21 ILE 94 1HG2 ILE 94 -1.278 -3.865 22.274 765 HG22 ILE 94 2HG2 ILE 94 -0.480 -2.321 21.981 766 HG23 ILE 94 3HG2 ILE 94 0.383 -3.829 21.681 767 HD11 ILE 94 3HD1 ILE 94 2.942 -3.741 23.308 768 HD12 ILE 94 1HD1 ILE 94 2.198 -2.869 21.969 769 HD13 ILE 94 2HD1 ILE 94 3.314 -2.037 23.051 770 H ASN 95 H ASN 95 0.043 -0.933 25.988 771 HA ASN 95 HA ASN 95 1.490 -2.204 27.994 772 HB2 ASN 95 2HB ASN 95 1.958 0.080 27.637 773 HB3 ASN 95 3HB ASN 95 0.267 0.541 27.807 774 HD21 ASN 95 1HD2 ASN 95 -0.289 1.407 29.665 775 HD22 ASN 95 2HD2 ASN 95 0.551 1.229 31.164 776 H GLN 96 H GLN 96 -1.869 -1.103 27.969 777 HA GLN 96 HA GLN 96 -2.349 -1.820 30.700 778 HB2 GLN 96 2HB GLN 96 -4.362 -1.314 28.504 779 HB3 GLN 96 3HB GLN 96 -4.672 -1.297 30.235 780 HG2 GLN 96 2HG GLN 96 -3.267 0.651 30.503 781 HG3 GLN 96 3HG GLN 96 -2.847 0.611 28.791 782 HE21 GLN 96 1HE2 GLN 96 -3.764 2.311 27.886 783 HE22 GLN 96 2HE2 GLN 96 -5.413 2.792 28.072 784 H GLU 97 H GLU 97 -3.154 -3.262 27.557 785 HA GLU 97 HA GLU 97 -4.570 -5.474 28.571 786 HB2 GLU 97 2HB GLU 97 -3.073 -5.080 25.979 787 HB3 GLU 97 3HB GLU 97 -4.040 -6.506 26.329 788 HG2 GLU 97 2HG GLU 97 -5.344 -3.872 26.664 789 HG3 GLU 97 3HG GLU 97 -4.997 -4.405 25.020 790 H PHE 98 H PHE 98 -1.202 -4.779 28.381 791 HA PHE 98 HA PHE 98 -0.302 -7.500 28.539 792 HB2 PHE 98 2HB PHE 98 0.985 -4.810 28.664 793 HB3 PHE 98 3HB PHE 98 1.872 -6.188 29.306 794 HD1 PHE 98 HD2 PHE 98 -0.441 -6.513 26.486 795 HD2 PHE 98 HD1 PHE 98 3.622 -6.049 27.667 796 HE1 PHE 98 HE2 PHE 98 0.285 -7.101 24.210 797 HE2 PHE 98 HE1 PHE 98 4.354 -6.636 25.392 798 HZ PHE 98 HZ PHE 98 2.684 -7.164 23.660 799 HA PRO 99 HA PRO 99 -0.756 -8.152 32.866 800 HB2 PRO 99 2HB PRO 99 1.148 -10.054 33.223 801 HB3 PRO 99 3HB PRO 99 -0.392 -10.376 32.417 802 HG2 PRO 99 2HG PRO 99 2.296 -9.829 31.218 803 HG3 PRO 99 3HG PRO 99 1.086 -11.036 30.747 804 HD2 PRO 99 2HD PRO 99 1.401 -8.696 29.423 805 HD3 PRO 99 3HD PRO 99 -0.174 -9.501 29.578 806 H ARG 100 H ARG 100 0.522 -8.170 34.904 807 HA ARG 100 HA ARG 100 2.131 -5.890 35.123 808 HB2 ARG 100 2HB ARG 100 1.563 -8.209 36.941 809 HB3 ARG 100 3HB ARG 100 2.756 -6.999 37.396 810 HG2 ARG 100 2HG ARG 100 0.776 -5.349 36.798 811 HG3 ARG 100 3HG ARG 100 -0.192 -6.775 37.180 812 HD2 ARG 100 2HD ARG 100 1.907 -5.573 38.981 813 HD3 ARG 100 3HD ARG 100 0.172 -5.293 39.127 814 HE ARG 100 HE ARG 100 0.871 -8.073 39.168 815 HH11 ARG 100 1HH1 ARG 100 0.579 -5.186 41.092 816 HH12 ARG 100 2HH1 ARG 100 0.347 -6.044 42.579 817 HH21 ARG 100 1HH2 ARG 100 0.568 -9.214 41.120 818 HH22 ARG 100 2HH2 ARG 100 0.342 -8.335 42.594 819 H ASP 101 H ASP 101 2.911 -9.144 34.299 820 HA ASP 101 HA ASP 101 5.692 -9.007 34.973 821 HB2 ASP 101 2HB ASP 101 4.021 -10.921 33.361 822 HB3 ASP 101 3HB ASP 101 5.775 -11.068 33.423 823 H LEU 102 H LEU 102 3.864 -8.829 31.927 824 HA LEU 102 HA LEU 102 6.147 -8.317 30.315 825 HB2 LEU 102 2HB LEU 102 3.204 -7.889 29.848 826 HB3 LEU 102 3HB LEU 102 4.435 -7.591 28.622 827 HG LEU 102 HG LEU 102 3.695 -10.240 29.858 828 HD11 LEU 102 1HD1 LEU 102 2.726 -8.820 27.614 829 HD12 LEU 102 2HD1 LEU 102 2.334 -10.461 28.126 830 HD13 LEU 102 3HD1 LEU 102 3.674 -10.181 27.014 831 HD21 LEU 102 3HD2 LEU 102 5.886 -10.688 29.543 832 HD22 LEU 102 1HD2 LEU 102 6.106 -9.362 28.402 833 HD23 LEU 102 2HD2 LEU 102 5.379 -10.876 27.863 834 H LYS 103 H LYS 103 3.910 -6.300 32.088 835 HA LYS 103 HA LYS 103 4.320 -3.831 30.919 836 HB2 LYS 103 2HB LYS 103 3.734 -4.688 33.731 837 HB3 LYS 103 3HB LYS 103 4.026 -2.990 33.379 838 HG2 LYS 103 2HG LYS 103 2.210 -3.672 31.454 839 HG3 LYS 103 3HG LYS 103 1.690 -4.647 32.830 840 HD2 LYS 103 2HD LYS 103 1.965 -2.438 34.168 841 HD3 LYS 103 3HD LYS 103 1.886 -1.670 32.581 842 HE2 LYS 103 2HE LYS 103 -0.312 -2.111 32.338 843 HE3 LYS 103 3HE LYS 103 -0.183 -3.696 33.099 844 HZ1 LYS 103 3HZ LYS 103 -0.597 -2.852 35.142 845 HZ2 LYS 103 1HZ LYS 103 -1.419 -1.677 34.244 846 HZ3 LYS 103 2HZ LYS 103 0.140 -1.363 34.821 847 H LYS 104 H LYS 104 6.318 -5.518 33.295 848 HA LYS 104 HA LYS 104 8.150 -3.387 33.701 849 HB2 LYS 104 2HB LYS 104 7.692 -5.643 35.039 850 HB3 LYS 104 3HB LYS 104 9.024 -6.215 34.043 851 HG2 LYS 104 2HG LYS 104 10.183 -5.476 35.852 852 HG3 LYS 104 3HG LYS 104 10.161 -3.994 34.894 853 HD2 LYS 104 2HD LYS 104 8.168 -3.253 36.156 854 HD3 LYS 104 3HD LYS 104 8.289 -4.704 37.154 855 HE2 LYS 104 2HE LYS 104 10.436 -4.012 37.987 856 HE3 LYS 104 3HE LYS 104 10.472 -2.642 36.877 857 HZ1 LYS 104 3HZ LYS 104 9.162 -1.431 38.206 858 HZ2 LYS 104 1HZ LYS 104 9.626 -2.517 39.418 859 HZ3 LYS 104 2HZ LYS 104 8.159 -2.734 38.605 860 H LYS 105 H LYS 105 8.049 -6.134 31.498 861 HA LYS 105 HA LYS 105 10.671 -5.778 30.457 862 HB2 LYS 105 2HB LYS 105 8.361 -7.078 29.019 863 HB3 LYS 105 3HB LYS 105 10.077 -7.402 28.818 864 HG2 LYS 105 2HG LYS 105 8.449 -8.022 31.274 865 HG3 LYS 105 3HG LYS 105 8.960 -9.184 30.048 866 HD2 LYS 105 2HD LYS 105 10.849 -7.511 31.700 867 HD3 LYS 105 3HD LYS 105 10.387 -9.169 32.091 868 HE2 LYS 105 2HE LYS 105 12.307 -9.580 30.933 869 HE3 LYS 105 3HE LYS 105 11.159 -9.585 29.595 870 HZ1 LYS 105 3HZ LYS 105 12.190 -6.974 30.210 871 HZ2 LYS 105 1HZ LYS 105 12.072 -7.766 28.720 872 HZ3 LYS 105 2HZ LYS 105 13.392 -8.066 29.735 873 H LEU 106 H LEU 106 7.495 -4.560 29.568 874 HA LEU 106 HA LEU 106 8.418 -3.350 27.126 875 HB2 LEU 106 2HB LEU 106 6.163 -4.014 27.126 876 HB3 LEU 106 3HB LEU 106 5.852 -3.243 28.680 877 HG LEU 106 HG LEU 106 6.621 -1.486 26.413 878 HD11 LEU 106 1HD1 LEU 106 3.759 -2.267 26.633 879 HD12 LEU 106 2HD1 LEU 106 4.851 -3.302 25.715 880 HD13 LEU 106 3HD1 LEU 106 4.652 -1.610 25.260 881 HD21 LEU 106 3HD2 LEU 106 4.302 -0.794 28.000 882 HD22 LEU 106 1HD2 LEU 106 5.811 0.087 27.762 883 HD23 LEU 106 2HD2 LEU 106 5.702 -1.155 29.011 884 H SER 107 H SER 107 7.760 -2.304 30.423 885 HA SER 107 HA SER 107 7.833 0.442 30.126 886 HB2 SER 107 2HB SER 107 8.594 -1.411 32.349 887 HB3 SER 107 3HB SER 107 8.972 0.305 32.502 888 HG SER 107 HG SER 107 6.649 0.586 31.899 889 H ARG 108 H ARG 108 10.555 -1.794 30.565 890 HA ARG 108 HA ARG 108 12.558 0.214 30.532 891 HB2 ARG 108 2HB ARG 108 14.105 -1.722 30.087 892 HB3 ARG 108 3HB ARG 108 13.098 -1.887 31.520 893 HG2 ARG 108 2HG ARG 108 11.744 -3.504 30.532 894 HG3 ARG 108 3HG ARG 108 12.271 -3.080 28.902 895 HD2 ARG 108 2HD ARG 108 13.198 -5.232 29.887 896 HD3 ARG 108 3HD ARG 108 14.364 -4.104 29.196 897 HE ARG 108 HE ARG 108 15.309 -3.917 31.260 898 HH11 ARG 108 1HH1 ARG 108 12.049 -5.078 31.638 899 HH12 ARG 108 2HH1 ARG 108 12.192 -5.312 33.349 900 HH21 ARG 108 1HH2 ARG 108 15.510 -4.220 33.512 901 HH22 ARG 108 2HH2 ARG 108 14.160 -4.823 34.414 902 H VAL 109 H VAL 109 10.960 -1.662 28.045 903 HA VAL 109 HA VAL 109 12.758 -1.139 25.932 904 HB VAL 109 HB VAL 109 9.797 -1.732 25.844 905 HG11 VAL 109 1HG1 VAL 109 11.727 -1.098 23.739 906 HG12 VAL 109 2HG1 VAL 109 10.837 -2.599 23.472 907 HG13 VAL 109 3HG1 VAL 109 9.965 -1.084 23.705 908 HG21 VAL 109 3HG2 VAL 109 11.728 -3.761 24.980 909 HG22 VAL 109 1HG2 VAL 109 11.812 -3.356 26.694 910 HG23 VAL 109 2HG2 VAL 109 10.294 -3.917 25.994 911 H VAL 110 H VAL 110 9.758 0.488 26.933 912 HA VAL 110 HA VAL 110 9.620 2.405 24.932 913 HB VAL 110 HB VAL 110 8.825 2.711 27.831 914 HG11 VAL 110 1HG1 VAL 110 8.944 4.878 26.813 915 HG12 VAL 110 2HG1 VAL 110 8.073 4.308 25.388 916 HG13 VAL 110 3HG1 VAL 110 7.247 4.419 26.943 917 HG21 VAL 110 3HG2 VAL 110 7.488 1.520 25.439 918 HG22 VAL 110 1HG2 VAL 110 7.574 0.917 27.095 919 HG23 VAL 110 2HG2 VAL 110 6.516 2.273 26.704 920 H ASN 111 H ASN 111 11.563 2.339 27.858 921 HA ASN 111 HA ASN 111 12.418 5.038 27.766 922 HB2 ASN 111 2HB ASN 111 13.500 2.567 29.105 923 HB3 ASN 111 3HB ASN 111 14.338 4.112 29.211 924 HD21 ASN 111 1HD2 ASN 111 13.145 2.554 31.328 925 HD22 ASN 111 2HD2 ASN 111 11.949 3.559 32.066 926 H ILE 112 H ILE 112 13.502 2.117 26.201 927 HA ILE 112 HA ILE 112 16.079 2.796 25.454 928 HB ILE 112 HB ILE 112 14.062 1.286 23.789 929 HG12 ILE 112 2HG1 ILE 112 16.080 0.308 25.821 930 HG13 ILE 112 3HG1 ILE 112 14.332 0.325 26.029 931 HG21 ILE 112 1HG2 ILE 112 16.003 2.014 22.498 932 HG22 ILE 112 2HG2 ILE 112 17.076 1.282 23.690 933 HG23 ILE 112 3HG2 ILE 112 16.008 0.265 22.724 934 HD11 ILE 112 3HD1 ILE 112 14.986 -1.892 25.496 935 HD12 ILE 112 1HD1 ILE 112 14.170 -1.226 24.082 936 HD13 ILE 112 2HD1 ILE 112 15.930 -1.345 24.111 937 H LEU 113 H LEU 113 13.011 3.686 23.942 938 HA LEU 113 HA LEU 113 13.907 4.826 21.596 939 HB2 LEU 113 2HB LEU 113 11.607 5.426 23.407 940 HB3 LEU 113 3HB LEU 113 11.912 6.451 22.005 941 HG LEU 113 HG LEU 113 10.200 4.757 21.558 942 HD11 LEU 113 1HD1 LEU 113 11.578 5.573 19.724 943 HD12 LEU 113 2HD1 LEU 113 11.153 3.879 19.488 944 HD13 LEU 113 3HD1 LEU 113 12.769 4.312 20.044 945 HD21 LEU 113 3HD2 LEU 113 12.359 2.683 21.825 946 HD22 LEU 113 1HD2 LEU 113 10.627 2.440 21.601 947 HD23 LEU 113 2HD2 LEU 113 11.238 3.063 23.133 948 H LYS 114 H LYS 114 13.974 6.127 24.852 949 HA LYS 114 HA LYS 114 14.707 8.779 24.087 950 HB2 LYS 114 2HB LYS 114 15.237 7.497 26.763 951 HB3 LYS 114 3HB LYS 114 15.005 9.204 26.409 952 HG2 LYS 114 2HG LYS 114 12.648 8.377 25.590 953 HG3 LYS 114 3HG LYS 114 12.998 7.027 26.673 954 HD2 LYS 114 2HD LYS 114 13.657 9.022 28.305 955 HD3 LYS 114 3HD LYS 114 12.502 9.890 27.290 956 HE2 LYS 114 2HE LYS 114 11.754 7.211 28.360 957 HE3 LYS 114 3HE LYS 114 11.723 8.598 29.447 958 HZ1 LYS 114 3HZ LYS 114 10.123 8.135 27.010 959 HZ2 LYS 114 1HZ LYS 114 10.343 9.697 27.622 960 HZ3 LYS 114 2HZ LYS 114 9.591 8.516 28.570 961 H GLU 115 H GLU 115 16.460 5.854 24.921 962 HA GLU 115 HA GLU 115 19.016 7.085 25.152 963 HB2 GLU 115 2HB GLU 115 18.060 4.258 24.842 964 HB3 GLU 115 3HB GLU 115 19.773 4.630 24.715 965 HG2 GLU 115 2HG GLU 115 18.101 5.429 27.077 966 HG3 GLU 115 3HG GLU 115 18.957 3.892 26.977 967 H ARG 116 H ARG 116 17.473 5.193 22.560 968 HA ARG 116 HA ARG 116 19.627 5.659 20.726 969 HB2 ARG 116 2HB ARG 116 16.845 4.705 20.050 970 HB3 ARG 116 3HB ARG 116 18.323 4.441 19.134 971 HG2 ARG 116 2HG ARG 116 17.639 3.265 21.819 972 HG3 ARG 116 3HG ARG 116 17.695 2.417 20.272 973 HD2 ARG 116 2HD ARG 116 20.155 3.311 20.218 974 HD3 ARG 116 3HD ARG 116 19.930 3.445 21.962 975 HE ARG 116 HE ARG 116 19.117 0.919 21.410 976 HH11 ARG 116 1HH1 ARG 116 22.008 2.727 20.709 977 HH12 ARG 116 2HH1 ARG 116 23.039 1.335 20.725 978 HH21 ARG 116 1HH2 ARG 116 20.464 -0.921 21.434 979 HH22 ARG 116 2HH2 ARG 116 22.160 -0.740 21.137 980 H ASN 117 H ASN 117 16.886 7.419 21.710 981 HA ASN 117 HA ASN 117 15.938 9.368 21.020 982 HB2 ASN 117 2HB ASN 117 18.642 9.571 19.699 983 HB3 ASN 117 3HB ASN 117 17.446 10.859 19.588 984 HD21 ASN 117 1HD2 ASN 117 19.608 9.123 21.674 985 HD22 ASN 117 2HD2 ASN 117 19.547 10.232 22.998 986 H ILE 118 H ILE 118 15.021 7.193 19.669 987 HA ILE 118 HA ILE 118 15.176 7.448 16.840 988 HB ILE 118 HB ILE 118 12.980 6.102 18.412 989 HG12 ILE 118 2HG1 ILE 118 15.135 5.259 19.176 990 HG13 ILE 118 3HG1 ILE 118 14.331 4.041 18.191 991 HG21 ILE 118 1HG2 ILE 118 13.998 5.780 15.596 992 HG22 ILE 118 2HG2 ILE 118 12.884 4.658 16.374 993 HG23 ILE 118 3HG2 ILE 118 12.404 6.333 16.107 994 HD11 ILE 118 3HD1 ILE 118 16.732 4.212 17.729 995 HD12 ILE 118 1HD1 ILE 118 15.745 4.576 16.314 996 HD13 ILE 118 2HD1 ILE 118 16.500 5.886 17.223 997 H PHE 119 H PHE 119 12.300 7.865 18.906 998 HA PHE 119 HA PHE 119 11.074 9.575 16.935 999 HB2 PHE 119 2HB PHE 119 10.102 8.927 19.724 1000 HB3 PHE 119 3HB PHE 119 9.146 9.577 18.396 1001 HD1 PHE 119 HD1 PHE 119 9.950 7.900 16.152 1002 HD2 PHE 119 HD2 PHE 119 9.198 6.859 20.210 1003 HE1 PHE 119 HE1 PHE 119 9.364 5.614 15.454 1004 HE2 PHE 119 HE2 PHE 119 8.613 4.572 19.519 1005 HZ PHE 119 HZ PHE 119 8.696 3.946 17.138 1006 H SER 120 H SER 120 10.103 11.683 17.594 1007 HA SER 120 HA SER 120 12.158 13.335 18.770 1008 HB2 SER 120 2HB SER 120 10.538 13.821 16.726 1009 HB3 SER 120 3HB SER 120 9.490 14.440 18.002 1010 HG SER 120 HG SER 120 10.699 16.143 18.065 1011 H LYS 121 H LYS 121 11.215 15.245 20.179 1012 HA LYS 121 HA LYS 121 10.522 14.139 22.670 1013 HB2 LYS 121 2HB LYS 121 11.684 16.380 22.130 1014 HB3 LYS 121 3HB LYS 121 10.056 17.022 21.950 1015 HG2 LYS 121 2HG LYS 121 9.561 16.754 24.195 1016 HG3 LYS 121 3HG LYS 121 10.830 15.551 24.434 1017 HD2 LYS 121 2HD LYS 121 12.534 17.203 24.335 1018 HD3 LYS 121 3HD LYS 121 11.404 18.428 23.753 1019 HE2 LYS 121 2HE LYS 121 10.182 17.848 26.030 1020 HE3 LYS 121 3HE LYS 121 11.808 17.352 26.496 1021 HZ1 LYS 121 3HZ LYS 121 11.067 20.026 25.437 1022 HZ2 LYS 121 1HZ LYS 121 12.615 19.547 25.924 1023 HZ3 LYS 121 2HZ LYS 121 11.369 19.665 27.062 1024 H GLN 122 H GLN 122 8.589 15.849 20.241 1025 HA GLN 122 HA GLN 122 6.198 16.021 21.664 1026 HB2 GLN 122 2HB GLN 122 6.826 15.872 18.730 1027 HB3 GLN 122 3HB GLN 122 5.161 15.937 19.292 1028 HG2 GLN 122 2HG GLN 122 7.231 17.977 20.054 1029 HG3 GLN 122 3HG GLN 122 6.191 18.131 18.638 1030 HE21 GLN 122 1HE2 GLN 122 6.411 19.750 21.100 1031 HE22 GLN 122 2HE2 GLN 122 4.815 19.802 21.758 1032 H VAL 123 H VAL 123 7.633 13.350 19.923 1033 HA VAL 123 HA VAL 123 5.263 11.720 19.992 1034 HB VAL 123 HB VAL 123 8.119 10.908 19.430 1035 HG11 VAL 123 1HG1 VAL 123 5.544 9.465 19.446 1036 HG12 VAL 123 2HG1 VAL 123 6.608 9.152 18.073 1037 HG13 VAL 123 3HG1 VAL 123 7.182 8.871 19.717 1038 HG21 VAL 123 3HG2 VAL 123 5.938 11.492 17.436 1039 HG22 VAL 123 1HG2 VAL 123 7.159 12.671 17.918 1040 HG23 VAL 123 2HG2 VAL 123 7.643 11.178 17.114 1041 H VAL 124 H VAL 124 8.437 11.552 21.610 1042 HA VAL 124 HA VAL 124 7.902 9.406 23.290 1043 HB VAL 124 HB VAL 124 9.660 11.796 23.860 1044 HG11 VAL 124 1HG1 VAL 124 10.076 10.895 25.845 1045 HG12 VAL 124 2HG1 VAL 124 8.930 9.595 25.509 1046 HG13 VAL 124 3HG1 VAL 124 10.626 9.417 25.057 1047 HG21 VAL 124 3HG2 VAL 124 11.316 9.740 23.209 1048 HG22 VAL 124 1HG2 VAL 124 9.944 9.433 22.144 1049 HG23 VAL 124 2HG2 VAL 124 10.776 10.987 22.084 1050 H ASN 125 H ASN 125 7.338 12.866 23.815 1051 HA ASN 125 HA ASN 125 6.506 12.776 26.465 1052 HB2 ASN 125 2HB ASN 125 6.120 14.627 24.188 1053 HB3 ASN 125 3HB ASN 125 4.955 14.771 25.500 1054 HD21 ASN 125 1HD2 ASN 125 8.451 14.444 25.001 1055 HD22 ASN 125 2HD2 ASN 125 8.904 15.571 26.230 1056 H ASP 126 H ASP 126 4.834 11.869 23.551 1057 HA ASP 126 HA ASP 126 2.220 11.793 24.718 1058 HB2 ASP 126 2HB ASP 126 2.933 11.956 22.200 1059 HB3 ASP 126 3HB ASP 126 2.967 10.198 22.294 1060 H ILE 127 H ILE 127 4.796 9.457 24.156 1061 HA ILE 127 HA ILE 127 3.325 7.148 24.861 1062 HB ILE 127 HB ILE 127 6.304 7.620 25.032 1063 HG12 ILE 127 2HG1 ILE 127 4.915 6.089 22.860 1064 HG13 ILE 127 3HG1 ILE 127 4.989 7.846 22.777 1065 HG21 ILE 127 1HG2 ILE 127 5.858 5.726 26.347 1066 HG22 ILE 127 2HG2 ILE 127 4.631 5.134 25.228 1067 HG23 ILE 127 3HG2 ILE 127 6.335 5.085 24.775 1068 HD11 ILE 127 3HD1 ILE 127 7.117 7.824 22.137 1069 HD12 ILE 127 1HD1 ILE 127 7.564 6.632 23.358 1070 HD13 ILE 127 2HD1 ILE 127 6.874 6.106 21.822 1071 H GLU 128 H GLU 128 5.139 9.502 26.725 1072 HA GLU 128 HA GLU 128 5.174 8.009 29.151 1073 HB2 GLU 128 2HB GLU 128 5.535 10.955 28.592 1074 HB3 GLU 128 3HB GLU 128 5.731 10.235 30.184 1075 HG2 GLU 128 2HG GLU 128 7.391 8.655 28.876 1076 HG3 GLU 128 3HG GLU 128 7.459 10.036 27.782 1077 H ARG 129 H ARG 129 3.128 10.642 27.927 1078 HA ARG 129 HA ARG 129 1.465 10.741 30.233 1079 HB2 ARG 129 2HB ARG 129 0.003 12.159 28.866 1080 HB3 ARG 129 3HB ARG 129 1.684 12.656 28.733 1081 HG2 ARG 129 2HG ARG 129 1.798 11.337 26.599 1082 HG3 ARG 129 3HG ARG 129 0.048 11.147 26.716 1083 HD2 ARG 129 2HD ARG 129 0.595 13.013 25.266 1084 HD3 ARG 129 3HD ARG 129 -0.201 13.590 26.730 1085 HE ARG 129 HE ARG 129 2.569 13.676 27.127 1086 HH11 ARG 129 1HH1 ARG 129 0.104 15.230 25.223 1087 HH12 ARG 129 2HH1 ARG 129 0.958 16.733 25.106 1088 HH21 ARG 129 1HH2 ARG 129 3.703 15.649 26.980 1089 HH22 ARG 129 2HH2 ARG 129 3.006 16.970 26.105 1090 H SER 130 H SER 130 1.255 9.104 27.115 1091 HA SER 130 HA SER 130 -1.359 8.203 27.196 1092 HB2 SER 130 2HB SER 130 -0.555 6.307 25.772 1093 HB3 SER 130 3HB SER 130 -0.004 7.889 25.219 1094 HG SER 130 HG SER 130 1.524 5.908 25.566 1095 H LEU 131 H LEU 131 1.468 6.227 28.112 1096 HA LEU 131 HA LEU 131 0.056 4.174 29.337 1097 HB2 LEU 131 2HB LEU 131 2.838 5.220 29.599 1098 HB3 LEU 131 3HB LEU 131 2.275 3.978 30.715 1099 HG LEU 131 HG LEU 131 1.860 2.467 28.850 1100 HD11 LEU 131 1HD1 LEU 131 2.958 4.670 27.109 1101 HD12 LEU 131 2HD1 LEU 131 1.273 4.155 27.173 1102 HD13 LEU 131 3HD1 LEU 131 2.512 3.046 26.585 1103 HD21 LEU 131 3HD2 LEU 131 4.611 3.705 28.801 1104 HD22 LEU 131 1HD2 LEU 131 4.189 2.120 28.153 1105 HD23 LEU 131 2HD2 LEU 131 4.055 2.428 29.884 1106 H ALA 132 H ALA 132 1.279 7.196 30.700 1107 HA ALA 132 HA ALA 132 0.717 6.671 33.396 1108 HB1 ALA 132 1HB ALA 132 0.495 9.285 33.431 1109 HB2 ALA 132 2HB ALA 132 2.055 8.515 33.135 1110 HB3 ALA 132 3HB ALA 132 1.112 9.145 31.784 1111 H ALA 133 H ALA 133 -1.319 7.758 30.764 1112 HA ALA 133 HA ALA 133 -3.498 8.737 32.213 1113 HB1 ALA 133 1HB ALA 133 -3.080 8.863 29.708 1114 HB2 ALA 133 2HB ALA 133 -3.768 7.241 29.622 1115 HB3 ALA 133 3HB ALA 133 -4.742 8.581 30.226 1116 H ALA 134 H ALA 134 -2.676 5.443 31.236 1117 HA ALA 134 HA ALA 134 -5.111 4.291 32.194 1118 HB1 ALA 134 1HB ALA 134 -2.516 2.847 31.704 1119 HB2 ALA 134 2HB ALA 134 -4.151 2.187 31.667 1120 HB3 ALA 134 3HB ALA 134 -3.626 3.312 30.414 1121 H LEU 135 H LEU 135 -2.129 5.216 33.643 1122 HA LEU 135 HA LEU 135 -1.874 3.487 35.776 1123 HB2 LEU 135 2HB LEU 135 -0.440 5.513 35.052 1124 HB3 LEU 135 3HB LEU 135 -1.491 6.437 36.123 1125 HG LEU 135 HG LEU 135 -0.119 4.019 37.200 1126 HD11 LEU 135 1HD1 LEU 135 1.193 6.579 36.410 1127 HD12 LEU 135 2HD1 LEU 135 1.796 4.926 36.306 1128 HD13 LEU 135 3HD1 LEU 135 1.722 5.740 37.869 1129 HD21 LEU 135 3HD2 LEU 135 -1.411 4.894 38.852 1130 HD22 LEU 135 1HD2 LEU 135 -1.330 6.532 38.204 1131 HD23 LEU 135 2HD2 LEU 135 0.036 5.871 39.102 1132 H GLU 136 H GLU 136 -4.152 6.104 35.317 1133 HA GLU 136 HA GLU 136 -5.083 6.174 38.011 1134 HB2 GLU 136 2HB GLU 136 -5.312 7.995 36.222 1135 HB3 GLU 136 3HB GLU 136 -6.659 7.052 35.600 1136 HG2 GLU 136 2HG GLU 136 -7.790 7.245 37.759 1137 HG3 GLU 136 3HG GLU 136 -6.444 8.204 38.372 1138 H HIS 137 H HIS 137 -6.932 5.281 38.907 1139 HA HIS 137 HA HIS 137 -8.554 3.466 37.317 1140 HB2 HIS 137 2HB HIS 137 -8.228 1.616 38.983 1141 HB3 HIS 137 3HB HIS 137 -6.810 1.965 37.999 1142 HD1 HIS 137 HD1 HIS 137 -4.824 3.209 39.205 1143 HD2 HIS 137 HD2 HIS 137 -7.895 1.947 41.702 1144 HE1 HIS 137 HE1 HIS 137 -3.888 3.330 41.536 1145 H HIS 138 H HIS 138 -10.556 2.962 38.261 1146 HA HIS 138 HA HIS 138 -11.405 4.879 40.276 1147 HB2 HIS 138 2HB HIS 138 -12.806 4.658 38.312 1148 HB3 HIS 138 3HB HIS 138 -12.962 2.924 38.573 1149 HD1 HIS 138 HD1 HIS 138 -14.445 6.155 39.489 1150 HD2 HIS 138 HD2 HIS 138 -14.583 2.234 40.856 1151 HE1 HIS 138 HE1 HIS 138 -16.454 6.039 40.997 Start of MODEL 11 1 H ALA 2 H ALA 2 7.076 -4.442 -5.320 2 HA ALA 2 HA ALA 2 6.539 -7.330 -5.463 3 HB1 ALA 2 1HB ALA 2 8.705 -7.593 -4.299 4 HB2 ALA 2 2HB ALA 2 8.852 -6.778 -5.857 5 HB3 ALA 2 3HB ALA 2 8.920 -5.844 -4.363 6 H PHE 3 H PHE 3 6.751 -4.586 -3.264 7 HA PHE 3 HA PHE 3 6.370 -6.003 -0.860 8 HB2 PHE 3 2HB PHE 3 7.189 -3.748 -0.772 9 HB3 PHE 3 3HB PHE 3 5.766 -3.140 -1.611 10 HD1 PHE 3 HD1 PHE 3 6.623 -5.070 1.466 11 HD2 PHE 3 HD2 PHE 3 4.144 -2.125 -0.350 12 HE1 PHE 3 HE1 PHE 3 5.529 -4.660 3.631 13 HE2 PHE 3 HE2 PHE 3 3.047 -1.709 1.812 14 HZ PHE 3 HZ PHE 3 3.740 -2.977 3.807 15 H SER 4 H SER 4 4.543 -6.447 0.346 16 HA SER 4 HA SER 4 1.924 -5.827 -0.767 17 HB2 SER 4 2HB SER 4 2.808 -8.076 -1.690 18 HB3 SER 4 3HB SER 4 2.530 -8.689 -0.060 19 HG SER 4 HG SER 4 0.691 -7.830 -1.984 20 H SER 5 H SER 5 0.285 -5.795 0.742 21 HA SER 5 HA SER 5 1.020 -5.357 3.428 22 HB2 SER 5 2HB SER 5 -1.191 -4.773 3.787 23 HB3 SER 5 3HB SER 5 -1.075 -4.557 2.041 24 HG SER 5 HG SER 5 -2.249 -6.676 3.488 25 H GLU 6 H GLU 6 -0.412 -8.125 1.773 26 HA GLU 6 HA GLU 6 -1.022 -9.662 4.042 27 HB2 GLU 6 2HB GLU 6 -1.131 -11.558 2.537 28 HB3 GLU 6 3HB GLU 6 -1.857 -10.153 1.768 29 HG2 GLU 6 2HG GLU 6 0.185 -9.799 0.479 30 HG3 GLU 6 3HG GLU 6 0.915 -11.205 1.251 31 H GLN 7 H GLN 7 1.964 -9.136 2.313 32 HA GLN 7 HA GLN 7 3.426 -11.321 3.324 33 HB2 GLN 7 2HB GLN 7 3.984 -8.875 1.844 34 HB3 GLN 7 3HB GLN 7 5.281 -9.291 2.956 35 HG2 GLN 7 2HG GLN 7 5.110 -11.645 1.925 36 HG3 GLN 7 3HG GLN 7 4.226 -10.842 0.628 37 HE21 GLN 7 1HE2 GLN 7 5.459 -10.403 -1.038 38 HE22 GLN 7 2HE2 GLN 7 7.121 -9.936 -0.990 39 H PHE 8 H PHE 8 3.376 -7.916 4.381 40 HA PHE 8 HA PHE 8 5.030 -8.213 6.603 41 HB2 PHE 8 2HB PHE 8 4.385 -6.027 5.685 42 HB3 PHE 8 3HB PHE 8 2.731 -6.282 6.233 43 HD1 PHE 8 HD1 PHE 8 6.120 -6.592 7.772 44 HD2 PHE 8 HD2 PHE 8 2.181 -5.003 8.045 45 HE1 PHE 8 HE1 PHE 8 6.686 -5.570 9.938 46 HE2 PHE 8 HE2 PHE 8 2.741 -3.977 10.210 47 HZ PHE 8 HZ PHE 8 4.996 -4.259 11.159 48 H THR 9 H THR 9 1.481 -8.336 6.419 49 HA THR 9 HA THR 9 1.018 -8.835 9.141 50 HB THR 9 HB THR 9 -0.751 -9.937 6.972 51 HG1 THR 9 HG1 THR 9 -1.219 -7.972 6.331 52 HG21 THR 9 3HG2 THR 9 -1.734 -8.461 9.354 53 HG22 THR 9 1HG2 THR 9 -1.057 -10.068 9.614 54 HG23 THR 9 2HG2 THR 9 -2.425 -9.853 8.522 55 H THR 10 H THR 10 1.106 -11.129 6.411 56 HA THR 10 HA THR 10 0.763 -13.470 7.869 57 HB THR 10 HB THR 10 2.354 -13.060 5.331 58 HG1 THR 10 HG1 THR 10 0.458 -13.440 4.315 59 HG21 THR 10 3HG2 THR 10 1.357 -15.579 6.657 60 HG22 THR 10 1HG2 THR 10 3.027 -15.150 6.292 61 HG23 THR 10 2HG2 THR 10 1.899 -15.500 4.982 62 H LYS 11 H LYS 11 3.759 -11.769 7.022 63 HA LYS 11 HA LYS 11 5.529 -13.648 8.157 64 HB2 LYS 11 2HB LYS 11 5.790 -10.715 7.521 65 HB3 LYS 11 3HB LYS 11 7.113 -11.636 8.225 66 HG2 LYS 11 2HG LYS 11 5.767 -12.547 5.711 67 HG3 LYS 11 3HG LYS 11 7.045 -11.330 5.679 68 HD2 LYS 11 2HD LYS 11 7.450 -13.923 7.122 69 HD3 LYS 11 3HD LYS 11 7.669 -13.827 5.373 70 HE2 LYS 11 2HE LYS 11 9.083 -12.114 7.415 71 HE3 LYS 11 3HE LYS 11 9.778 -13.513 6.598 72 HZ1 LYS 11 3HZ LYS 11 10.443 -12.101 5.040 73 HZ2 LYS 11 1HZ LYS 11 9.523 -10.831 5.676 74 HZ3 LYS 11 2HZ LYS 11 8.824 -11.917 4.584 75 H LEU 12 H LEU 12 3.728 -10.968 9.504 76 HA LEU 12 HA LEU 12 5.130 -10.812 11.968 77 HB2 LEU 12 2HB LEU 12 2.535 -9.806 10.920 78 HB3 LEU 12 3HB LEU 12 2.790 -9.801 12.664 79 HG LEU 12 HG LEU 12 4.773 -8.511 10.823 80 HD11 LEU 12 1HD1 LEU 12 2.040 -7.627 11.420 81 HD12 LEU 12 2HD1 LEU 12 3.134 -7.148 10.123 82 HD13 LEU 12 3HD1 LEU 12 3.294 -6.424 11.724 83 HD21 LEU 12 3HD2 LEU 12 4.727 -8.967 13.534 84 HD22 LEU 12 1HD2 LEU 12 4.154 -7.304 13.400 85 HD23 LEU 12 2HD2 LEU 12 5.710 -7.759 12.704 86 H ASN 13 H ASN 13 2.447 -12.740 10.811 87 HA ASN 13 HA ASN 13 1.824 -13.776 13.438 88 HB2 ASN 13 2HB ASN 13 0.796 -15.132 11.002 89 HB3 ASN 13 3HB ASN 13 -0.045 -14.691 12.486 90 HD21 ASN 13 1HD2 ASN 13 0.293 -12.057 12.701 91 HD22 ASN 13 2HD2 ASN 13 -0.391 -11.229 11.348 92 H THR 14 H THR 14 4.241 -14.339 11.268 93 HA THR 14 HA THR 14 4.469 -17.185 11.984 94 HB THR 14 HB THR 14 6.030 -17.410 10.107 95 HG1 THR 14 HG1 THR 14 6.793 -15.700 9.101 96 HG21 THR 14 3HG2 THR 14 3.265 -16.400 9.709 97 HG22 THR 14 1HG2 THR 14 3.967 -17.964 9.299 98 HG23 THR 14 2HG2 THR 14 4.287 -16.561 8.281 99 H LEU 15 H LEU 15 6.138 -14.093 11.978 100 HA LEU 15 HA LEU 15 8.681 -14.891 12.750 101 HB2 LEU 15 2HB LEU 15 9.102 -12.695 13.146 102 HB3 LEU 15 3HB LEU 15 7.621 -12.538 12.202 103 HG LEU 15 HG LEU 15 6.523 -12.582 14.619 104 HD11 LEU 15 1HD1 LEU 15 9.380 -12.122 15.091 105 HD12 LEU 15 2HD1 LEU 15 8.115 -12.662 16.195 106 HD13 LEU 15 3HD1 LEU 15 8.306 -10.944 15.846 107 HD21 LEU 15 3HD2 LEU 15 7.571 -9.937 14.261 108 HD22 LEU 15 1HD2 LEU 15 5.940 -10.542 13.971 109 HD23 LEU 15 2HD2 LEU 15 7.155 -10.638 12.696 110 H GLU 16 H GLU 16 9.682 -15.290 14.693 111 HA GLU 16 HA GLU 16 7.877 -15.778 16.968 112 HB2 GLU 16 2HB GLU 16 10.211 -17.244 15.875 113 HB3 GLU 16 3HB GLU 16 10.069 -17.195 17.627 114 HG2 GLU 16 2HG GLU 16 7.795 -18.112 17.447 115 HG3 GLU 16 3HG GLU 16 7.995 -18.214 15.698 116 H ASP 17 H ASP 17 9.339 -15.875 19.097 117 HA ASP 17 HA ASP 17 10.431 -13.188 19.345 118 HB2 ASP 17 2HB ASP 17 8.800 -13.957 21.011 119 HB3 ASP 17 3HB ASP 17 9.869 -15.286 21.452 120 H SER 18 H SER 18 12.411 -13.444 18.251 121 HA SER 18 HA SER 18 14.504 -14.587 19.909 122 HB2 SER 18 2HB SER 18 14.489 -16.498 18.676 123 HB3 SER 18 3HB SER 18 13.654 -15.739 17.321 124 HG SER 18 HG SER 18 15.993 -16.397 17.105 125 H GLN 19 H GLN 19 16.662 -13.918 19.221 126 HA GLN 19 HA GLN 19 16.746 -11.184 18.535 127 HB2 GLN 19 2HB GLN 19 18.440 -12.339 19.937 128 HB3 GLN 19 3HB GLN 19 19.017 -13.179 18.504 129 HG2 GLN 19 2HG GLN 19 20.474 -11.343 18.963 130 HG3 GLN 19 3HG GLN 19 19.567 -10.993 17.493 131 HE21 GLN 19 1HE2 GLN 19 18.326 -9.213 17.403 132 HE22 GLN 19 2HE2 GLN 19 18.111 -8.101 18.707 133 H GLU 20 H GLU 20 17.433 -14.122 16.688 134 HA GLU 20 HA GLU 20 18.248 -12.696 14.339 135 HB2 GLU 20 2HB GLU 20 17.520 -15.592 14.793 136 HB3 GLU 20 3HB GLU 20 18.100 -14.958 13.259 137 HG2 GLU 20 2HG GLU 20 20.070 -15.682 14.087 138 HG3 GLU 20 3HG GLU 20 20.064 -14.074 14.808 139 H SER 21 H SER 21 15.276 -14.166 15.503 140 HA SER 21 HA SER 21 13.786 -14.153 13.151 141 HB2 SER 21 2HB SER 21 11.831 -14.289 14.542 142 HB3 SER 21 3HB SER 21 13.115 -15.189 15.349 143 HG SER 21 HG SER 21 12.228 -12.560 15.945 144 H ILE 22 H ILE 22 14.036 -11.629 15.648 145 HA ILE 22 HA ILE 22 12.348 -9.763 14.414 146 HB ILE 22 HB ILE 22 14.694 -9.262 16.249 147 HG12 ILE 22 2HG1 ILE 22 12.917 -10.720 17.182 148 HG13 ILE 22 3HG1 ILE 22 13.036 -9.179 18.025 149 HG21 ILE 22 1HG2 ILE 22 14.363 -7.145 15.523 150 HG22 ILE 22 2HG2 ILE 22 12.713 -7.467 14.992 151 HG23 ILE 22 3HG2 ILE 22 13.052 -7.194 16.701 152 HD11 ILE 22 3HD1 ILE 22 10.727 -9.784 17.702 153 HD12 ILE 22 1HD1 ILE 22 11.113 -8.356 16.743 154 HD13 ILE 22 2HD1 ILE 22 10.980 -9.932 15.963 155 H SER 23 H SER 23 15.752 -10.477 13.967 156 HA SER 23 HA SER 23 16.347 -8.162 12.416 157 HB2 SER 23 2HB SER 23 18.303 -9.038 13.228 158 HB3 SER 23 3HB SER 23 17.735 -10.703 13.100 159 HG SER 23 HG SER 23 19.370 -9.537 11.483 160 H SER 24 H SER 24 15.145 -11.366 11.701 161 HA SER 24 HA SER 24 15.605 -11.372 8.922 162 HB2 SER 24 2HB SER 24 13.617 -12.818 10.670 163 HB3 SER 24 3HB SER 24 13.671 -13.056 8.923 164 HG SER 24 HG SER 24 15.945 -13.586 9.243 165 H ALA 25 H ALA 25 12.735 -10.456 10.812 166 HA ALA 25 HA ALA 25 11.268 -9.602 8.504 167 HB1 ALA 25 1HB ALA 25 10.818 -9.532 11.450 168 HB2 ALA 25 2HB ALA 25 9.824 -8.519 10.402 169 HB3 ALA 25 3HB ALA 25 9.844 -10.268 10.177 170 H SER 26 H SER 26 13.063 -7.971 11.087 171 HA SER 26 HA SER 26 12.441 -5.337 10.498 172 HB2 SER 26 2HB SER 26 13.705 -5.949 12.489 173 HB3 SER 26 3HB SER 26 15.065 -6.473 11.496 174 HG SER 26 HG SER 26 15.718 -4.490 11.564 175 H LYS 27 H LYS 27 15.083 -7.321 9.188 176 HA LYS 27 HA LYS 27 16.305 -5.440 7.573 177 HB2 LYS 27 2HB LYS 27 16.164 -8.365 7.679 178 HB3 LYS 27 3HB LYS 27 16.476 -7.738 6.066 179 HG2 LYS 27 2HG LYS 27 18.567 -8.178 7.128 180 HG3 LYS 27 3HG LYS 27 18.367 -6.429 7.000 181 HD2 LYS 27 2HD LYS 27 17.398 -6.598 9.389 182 HD3 LYS 27 3HD LYS 27 18.177 -8.182 9.425 183 HE2 LYS 27 2HE LYS 27 20.300 -7.285 9.316 184 HE3 LYS 27 3HE LYS 27 19.744 -5.793 8.561 185 HZ1 LYS 27 3HZ LYS 27 18.606 -6.096 11.140 186 HZ2 LYS 27 1HZ LYS 27 19.565 -4.839 10.537 187 HZ3 LYS 27 2HZ LYS 27 20.292 -6.199 11.231 188 H TRP 28 H TRP 28 13.483 -7.458 6.882 189 HA TRP 28 HA TRP 28 13.188 -6.653 4.183 190 HB2 TRP 28 2HB TRP 28 12.150 -8.694 5.111 191 HB3 TRP 28 3HB TRP 28 11.085 -7.693 6.095 192 HD1 TRP 28 HD1 TRP 28 11.891 -8.030 2.301 193 HE1 TRP 28 HE1 TRP 28 9.677 -7.807 1.008 194 HE3 TRP 28 HE3 TRP 28 8.731 -7.218 6.237 195 HZ2 TRP 28 HZ2 TRP 28 6.951 -7.347 1.581 196 HZ3 TRP 28 HZ3 TRP 28 6.335 -6.896 5.779 197 HH2 TRP 28 HH2 TRP 28 5.466 -6.958 3.498 198 H LEU 29 H LEU 29 11.732 -5.508 7.206 199 HA LEU 29 HA LEU 29 9.999 -3.615 6.054 200 HB2 LEU 29 2HB LEU 29 11.230 -3.921 8.767 201 HB3 LEU 29 3HB LEU 29 10.244 -2.512 8.377 202 HG LEU 29 HG LEU 29 9.085 -5.204 7.875 203 HD11 LEU 29 1HD1 LEU 29 10.254 -4.770 10.303 204 HD12 LEU 29 2HD1 LEU 29 8.889 -5.846 10.008 205 HD13 LEU 29 3HD1 LEU 29 8.607 -4.201 10.578 206 HD21 LEU 29 3HD2 LEU 29 8.163 -2.655 7.650 207 HD22 LEU 29 1HD2 LEU 29 7.579 -3.101 9.254 208 HD23 LEU 29 2HD2 LEU 29 7.144 -4.081 7.853 209 H LEU 30 H LEU 30 13.389 -3.492 6.908 210 HA LEU 30 HA LEU 30 13.798 -0.733 6.884 211 HB2 LEU 30 2HB LEU 30 15.441 -3.138 6.630 212 HB3 LEU 30 3HB LEU 30 16.108 -1.732 5.804 213 HG LEU 30 HG LEU 30 17.055 -1.904 8.013 214 HD11 LEU 30 1HD1 LEU 30 16.636 0.296 8.800 215 HD12 LEU 30 2HD1 LEU 30 15.039 0.329 8.052 216 HD13 LEU 30 3HD1 LEU 30 16.485 0.338 7.043 217 HD21 LEU 30 3HD2 LEU 30 15.401 -1.491 9.964 218 HD22 LEU 30 1HD2 LEU 30 15.571 -3.120 9.309 219 HD23 LEU 30 2HD2 LEU 30 14.190 -2.124 8.847 220 H LEU 31 H LEU 31 13.321 -2.982 4.278 221 HA LEU 31 HA LEU 31 14.116 -1.014 2.276 222 HB2 LEU 31 2HB LEU 31 13.420 -3.920 2.214 223 HB3 LEU 31 3HB LEU 31 13.355 -2.968 0.731 224 HG LEU 31 HG LEU 31 15.772 -2.357 1.174 225 HD11 LEU 31 1HD1 LEU 31 16.973 -4.071 2.590 226 HD12 LEU 31 2HD1 LEU 31 15.396 -4.494 3.256 227 HD13 LEU 31 3HD1 LEU 31 16.033 -2.863 3.464 228 HD21 LEU 31 3HD2 LEU 31 15.395 -3.875 -0.560 229 HD22 LEU 31 1HD2 LEU 31 14.856 -5.143 0.541 230 HD23 LEU 31 2HD2 LEU 31 16.561 -4.696 0.479 231 H GLN 32 H GLN 32 11.600 -1.058 4.089 232 HA GLN 32 HA GLN 32 9.638 -0.688 1.922 233 HB2 GLN 32 2HB GLN 32 9.139 -1.367 4.825 234 HB3 GLN 32 3HB GLN 32 7.893 -1.113 3.611 235 HG2 GLN 32 2HG GLN 32 9.839 -3.372 3.859 236 HG3 GLN 32 3HG GLN 32 8.079 -3.425 3.782 237 HE21 GLN 32 1HE2 GLN 32 10.390 -4.589 2.158 238 HE22 GLN 32 2HE2 GLN 32 9.942 -4.259 0.523 239 H TYR 33 H TYR 33 11.604 1.255 2.917 240 HA TYR 33 HA TYR 33 10.498 3.139 4.649 241 HB2 TYR 33 2HB TYR 33 12.015 4.772 3.417 242 HB3 TYR 33 3HB TYR 33 12.796 3.358 4.117 243 HD1 TYR 33 HD1 TYR 33 11.373 4.619 0.911 244 HD2 TYR 33 HD2 TYR 33 14.168 2.022 2.794 245 HE1 TYR 33 HE1 TYR 33 12.335 4.072 -1.286 246 HE2 TYR 33 HE2 TYR 33 15.139 1.469 0.603 247 HH TYR 33 HH TYR 33 14.646 1.521 -1.695 248 H ARG 34 H ARG 34 9.762 2.415 1.354 249 HA ARG 34 HA ARG 34 8.548 4.905 0.685 250 HB2 ARG 34 2HB ARG 34 7.582 3.647 -1.226 251 HB3 ARG 34 3HB ARG 34 9.323 3.446 -1.075 252 HG2 ARG 34 2HG ARG 34 9.037 1.263 -0.105 253 HG3 ARG 34 3HG ARG 34 7.284 1.467 -0.083 254 HD2 ARG 34 2HD ARG 34 9.048 1.342 -2.526 255 HD3 ARG 34 3HD ARG 34 7.951 0.082 -1.961 256 HE ARG 34 HE ARG 34 6.364 2.281 -2.299 257 HH11 ARG 34 1HH1 ARG 34 8.541 0.470 -4.324 258 HH12 ARG 34 2HH1 ARG 34 7.673 0.808 -5.784 259 HH21 ARG 34 1HH2 ARG 34 5.212 2.734 -4.215 260 HH22 ARG 34 2HH2 ARG 34 5.780 2.097 -5.721 261 H ASP 35 H ASP 35 7.502 2.053 2.352 262 HA ASP 35 HA ASP 35 4.717 2.987 2.306 263 HB2 ASP 35 2HB ASP 35 5.611 0.351 3.441 264 HB3 ASP 35 3HB ASP 35 4.031 0.801 2.805 265 H ALA 36 H ALA 36 6.361 4.532 3.828 266 HA ALA 36 HA ALA 36 6.751 3.807 6.486 267 HB1 ALA 36 1HB ALA 36 7.741 5.793 6.343 268 HB2 ALA 36 2HB ALA 36 6.772 6.253 4.942 269 HB3 ALA 36 3HB ALA 36 6.147 6.514 6.570 270 HA PRO 37 HA PRO 37 2.446 5.701 7.566 271 HB2 PRO 37 2HB PRO 37 0.816 6.379 5.504 272 HB3 PRO 37 3HB PRO 37 1.987 7.499 6.211 273 HG2 PRO 37 2HG PRO 37 2.209 5.848 3.724 274 HG3 PRO 37 3HG PRO 37 2.680 7.537 3.992 275 HD2 PRO 37 2HD PRO 37 4.470 5.505 4.008 276 HD3 PRO 37 3HD PRO 37 4.661 6.953 5.017 277 H LYS 38 H LYS 38 2.651 3.702 4.676 278 HA LYS 38 HA LYS 38 0.167 2.376 5.001 279 HB2 LYS 38 2HB LYS 38 2.523 2.137 3.283 280 HB3 LYS 38 3HB LYS 38 1.776 0.588 3.650 281 HG2 LYS 38 2HG LYS 38 0.249 2.950 2.587 282 HG3 LYS 38 3HG LYS 38 0.967 1.705 1.561 283 HD2 LYS 38 2HD LYS 38 -0.765 0.805 3.796 284 HD3 LYS 38 3HD LYS 38 -1.552 1.576 2.417 285 HE2 LYS 38 2HE LYS 38 -0.301 -0.033 0.943 286 HE3 LYS 38 3HE LYS 38 0.200 -0.875 2.409 287 HZ1 LYS 38 3HZ LYS 38 -1.761 -1.875 2.549 288 HZ2 LYS 38 1HZ LYS 38 -2.108 -1.295 0.998 289 HZ3 LYS 38 2HZ LYS 38 -2.614 -0.427 2.358 290 H VAL 39 H VAL 39 3.498 1.323 5.720 291 HA VAL 39 HA VAL 39 2.736 -1.079 6.999 292 HB VAL 39 HB VAL 39 5.282 0.517 7.318 293 HG11 VAL 39 1HG1 VAL 39 5.857 -0.945 8.886 294 HG12 VAL 39 2HG1 VAL 39 4.329 -1.807 8.687 295 HG13 VAL 39 3HG1 VAL 39 5.723 -2.239 7.695 296 HG21 VAL 39 3HG2 VAL 39 6.196 -0.714 5.562 297 HG22 VAL 39 1HG2 VAL 39 4.932 -1.941 5.638 298 HG23 VAL 39 2HG2 VAL 39 4.569 -0.339 4.995 299 H ALA 40 H ALA 40 3.531 2.143 8.241 300 HA ALA 40 HA ALA 40 3.420 1.533 10.976 301 HB1 ALA 40 1HB ALA 40 2.950 4.098 9.476 302 HB2 ALA 40 2HB ALA 40 2.941 4.000 11.238 303 HB3 ALA 40 3HB ALA 40 4.401 3.587 10.339 304 H GLU 41 H GLU 41 0.898 2.684 8.756 305 HA GLU 41 HA GLU 41 -1.149 2.885 10.684 306 HB2 GLU 41 2HB GLU 41 -1.230 3.939 8.440 307 HB3 GLU 41 3HB GLU 41 -1.423 2.346 7.722 308 HG2 GLU 41 2HG GLU 41 -3.496 2.117 9.176 309 HG3 GLU 41 3HG GLU 41 -3.345 3.849 9.463 310 H MET 42 H MET 42 -0.347 0.294 8.382 311 HA MET 42 HA MET 42 -2.396 -1.468 9.122 312 HB2 MET 42 2HB MET 42 -0.550 -1.496 7.181 313 HB3 MET 42 3HB MET 42 0.220 -2.612 8.301 314 HG2 MET 42 2HG MET 42 -2.322 -3.562 8.265 315 HG3 MET 42 3HG MET 42 -2.149 -2.957 6.619 316 HE1 MET 42 3HE MET 42 0.003 -4.649 9.321 317 HE2 MET 42 1HE MET 42 -1.194 -5.921 9.075 318 HE3 MET 42 2HE MET 42 0.480 -6.179 8.584 319 H TRP 43 H TRP 43 0.999 -1.350 10.194 320 HA TRP 43 HA TRP 43 0.932 -3.477 11.975 321 HB2 TRP 43 2HB TRP 43 3.000 -2.325 11.302 322 HB3 TRP 43 3HB TRP 43 2.512 -0.909 12.228 323 HD1 TRP 43 HD1 TRP 43 3.767 -4.504 12.704 324 HE1 TRP 43 HE1 TRP 43 4.680 -4.739 15.098 325 HE3 TRP 43 HE3 TRP 43 2.349 0.042 14.563 326 HZ2 TRP 43 HZ2 TRP 43 4.785 -3.201 17.463 327 HZ3 TRP 43 HZ3 TRP 43 2.893 0.582 16.901 328 HH2 TRP 43 HH2 TRP 43 4.086 -1.008 18.319 329 H LYS 44 H LYS 44 0.363 -0.028 12.660 330 HA LYS 44 HA LYS 44 -0.181 -0.236 15.372 331 HB2 LYS 44 2HB LYS 44 0.103 1.907 14.222 332 HB3 LYS 44 3HB LYS 44 -1.409 1.658 13.359 333 HG2 LYS 44 2HG LYS 44 -2.453 1.514 15.722 334 HG3 LYS 44 3HG LYS 44 -0.964 2.308 16.240 335 HD2 LYS 44 2HD LYS 44 -2.175 4.175 15.808 336 HD3 LYS 44 3HD LYS 44 -1.597 3.881 14.166 337 HE2 LYS 44 2HE LYS 44 -3.908 4.257 13.952 338 HE3 LYS 44 3HE LYS 44 -3.710 2.509 13.833 339 HZ1 LYS 44 3HZ LYS 44 -5.411 3.802 15.509 340 HZ2 LYS 44 1HZ LYS 44 -4.118 3.404 16.525 341 HZ3 LYS 44 2HZ LYS 44 -4.917 2.191 15.659 342 H GLU 45 H GLU 45 -2.605 -0.074 12.754 343 HA GLU 45 HA GLU 45 -4.847 -0.607 14.287 344 HB2 GLU 45 2HB GLU 45 -4.168 -1.035 11.406 345 HB3 GLU 45 3HB GLU 45 -5.671 -1.696 12.034 346 HG2 GLU 45 2HG GLU 45 -4.948 1.181 12.435 347 HG3 GLU 45 3HG GLU 45 -5.718 0.620 10.952 348 H TYR 46 H TYR 46 -2.423 -2.795 13.055 349 HA TYR 46 HA TYR 46 -3.909 -5.189 13.543 350 HB2 TYR 46 2HB TYR 46 -2.195 -5.340 11.910 351 HB3 TYR 46 3HB TYR 46 -0.997 -4.634 12.989 352 HD1 TYR 46 HD1 TYR 46 0.034 -5.972 14.753 353 HD2 TYR 46 HD2 TYR 46 -2.788 -7.680 12.065 354 HE1 TYR 46 HE1 TYR 46 0.741 -8.222 15.450 355 HE2 TYR 46 HE2 TYR 46 -2.089 -9.935 12.755 356 HH TYR 46 HH TYR 46 0.719 -10.540 14.485 357 H MET 47 H MET 47 -1.659 -3.224 15.376 358 HA MET 47 HA MET 47 -1.351 -5.146 17.492 359 HB2 MET 47 2HB MET 47 -0.642 -2.210 17.373 360 HB3 MET 47 3HB MET 47 -0.176 -3.309 18.664 361 HG2 MET 47 2HG MET 47 0.560 -3.961 15.852 362 HG3 MET 47 3HG MET 47 1.478 -2.742 16.733 363 HE1 MET 47 3HE MET 47 1.885 -4.160 19.896 364 HE2 MET 47 1HE MET 47 3.500 -4.385 19.222 365 HE3 MET 47 2HE MET 47 2.549 -2.967 18.779 366 H LEU 48 H LEU 48 -3.071 -2.056 17.115 367 HA LEU 48 HA LEU 48 -4.187 -1.886 19.650 368 HB2 LEU 48 2HB LEU 48 -4.806 -0.798 16.985 369 HB3 LEU 48 3HB LEU 48 -6.148 -0.816 18.127 370 HG LEU 48 HG LEU 48 -4.549 0.402 19.724 371 HD11 LEU 48 1HD1 LEU 48 -2.794 -0.019 17.564 372 HD12 LEU 48 2HD1 LEU 48 -2.498 0.891 19.045 373 HD13 LEU 48 3HD1 LEU 48 -3.130 1.712 17.618 374 HD21 LEU 48 3HD2 LEU 48 -6.339 1.653 18.956 375 HD22 LEU 48 1HD2 LEU 48 -5.825 1.547 17.272 376 HD23 LEU 48 2HD2 LEU 48 -4.954 2.591 18.396 377 H ARG 49 H ARG 49 -5.010 -3.951 16.994 378 HA ARG 49 HA ARG 49 -7.652 -4.598 17.626 379 HB2 ARG 49 2HB ARG 49 -5.445 -5.977 16.166 380 HB3 ARG 49 3HB ARG 49 -6.883 -6.903 16.576 381 HG2 ARG 49 2HG ARG 49 -8.263 -5.574 15.243 382 HG3 ARG 49 3HG ARG 49 -7.075 -4.272 15.156 383 HD2 ARG 49 2HD ARG 49 -6.790 -5.212 13.090 384 HD3 ARG 49 3HD ARG 49 -5.611 -6.140 14.016 385 HE ARG 49 HE ARG 49 -6.871 -8.013 13.660 386 HH11 ARG 49 1HH1 ARG 49 -8.821 -5.202 13.017 387 HH12 ARG 49 2HH1 ARG 49 -10.157 -6.111 12.392 388 HH21 ARG 49 1HH2 ARG 49 -8.623 -9.221 12.840 389 HH22 ARG 49 2HH2 ARG 49 -10.044 -8.397 12.293 390 HA PRO 50 HA PRO 50 -7.106 -6.670 21.512 391 HB2 PRO 50 2HB PRO 50 -9.655 -7.574 21.743 392 HB3 PRO 50 3HB PRO 50 -9.203 -5.891 22.036 393 HG2 PRO 50 2HG PRO 50 -10.416 -7.128 19.596 394 HG3 PRO 50 3HG PRO 50 -10.819 -5.596 20.391 395 HD2 PRO 50 2HD PRO 50 -9.278 -5.722 18.168 396 HD3 PRO 50 3HD PRO 50 -9.053 -4.481 19.417 397 H SER 51 H SER 51 -8.687 -8.242 18.757 398 HA SER 51 HA SER 51 -8.700 -10.864 19.640 399 HB2 SER 51 2HB SER 51 -9.819 -10.378 17.603 400 HB3 SER 51 3HB SER 51 -8.362 -9.703 16.874 401 HG SER 51 HG SER 51 -8.918 -11.882 16.196 402 H VAL 52 H VAL 52 -6.047 -8.930 18.453 403 HA VAL 52 HA VAL 52 -4.211 -11.006 17.935 404 HB VAL 52 HB VAL 52 -3.637 -8.166 18.795 405 HG11 VAL 52 1HG1 VAL 52 -1.472 -8.572 17.595 406 HG12 VAL 52 2HG1 VAL 52 -1.669 -9.476 19.098 407 HG13 VAL 52 3HG1 VAL 52 -1.896 -10.283 17.546 408 HG21 VAL 52 3HG2 VAL 52 -4.713 -9.251 16.365 409 HG22 VAL 52 1HG2 VAL 52 -4.416 -7.568 16.802 410 HG23 VAL 52 2HG2 VAL 52 -3.136 -8.524 16.057 411 H ASN 53 H ASN 53 -3.256 -12.363 19.289 412 HA ASN 53 HA ASN 53 -3.586 -12.246 22.086 413 HB2 ASN 53 2HB ASN 53 -1.675 -13.866 20.391 414 HB3 ASN 53 3HB ASN 53 -1.914 -14.112 22.118 415 HD21 ASN 53 1HD2 ASN 53 -4.114 -14.626 22.820 416 HD22 ASN 53 2HD2 ASN 53 -5.110 -15.580 21.779 417 H THR 54 H THR 54 -1.973 -12.008 23.730 418 HA THR 54 HA THR 54 -0.497 -9.685 23.622 419 HB THR 54 HB THR 54 0.765 -11.635 25.379 420 HG1 THR 54 HG1 THR 54 -2.058 -11.268 25.580 421 HG21 THR 54 3HG2 THR 54 0.958 -9.302 25.831 422 HG22 THR 54 1HG2 THR 54 -0.066 -9.986 27.093 423 HG23 THR 54 2HG2 THR 54 -0.790 -9.080 25.765 424 H ARG 55 H ARG 55 0.611 -13.003 23.032 425 HA ARG 55 HA ARG 55 3.323 -12.561 22.760 426 HB2 ARG 55 2HB ARG 55 1.695 -14.713 22.441 427 HB3 ARG 55 3HB ARG 55 2.153 -14.402 20.772 428 HG2 ARG 55 2HG ARG 55 3.817 -15.829 21.377 429 HG3 ARG 55 3HG ARG 55 4.570 -14.294 21.812 430 HD2 ARG 55 2HD ARG 55 4.881 -15.865 23.610 431 HD3 ARG 55 3HD ARG 55 3.765 -14.603 24.130 432 HE ARG 55 HE ARG 55 2.234 -16.691 23.124 433 HH11 ARG 55 1HH1 ARG 55 4.452 -16.124 25.747 434 HH12 ARG 55 2HH1 ARG 55 3.712 -17.287 26.797 435 HH21 ARG 55 1HH2 ARG 55 1.251 -18.225 24.497 436 HH22 ARG 55 2HH2 ARG 55 1.892 -18.482 26.084 437 H ARG 56 H ARG 56 0.877 -12.490 20.165 438 HA ARG 56 HA ARG 56 2.533 -11.772 18.066 439 HB2 ARG 56 2HB ARG 56 -0.371 -11.311 18.643 440 HB3 ARG 56 3HB ARG 56 0.361 -10.574 17.224 441 HG2 ARG 56 2HG ARG 56 0.821 -12.640 16.240 442 HG3 ARG 56 3HG ARG 56 0.614 -13.510 17.761 443 HD2 ARG 56 2HD ARG 56 -1.826 -12.409 17.522 444 HD3 ARG 56 3HD ARG 56 -1.400 -12.563 15.819 445 HE ARG 56 HE ARG 56 -2.126 -14.665 17.588 446 HH11 ARG 56 1HH1 ARG 56 -0.072 -13.901 14.883 447 HH12 ARG 56 2HH1 ARG 56 -0.018 -15.530 14.296 448 HH21 ARG 56 1HH2 ARG 56 -2.062 -16.814 16.826 449 HH22 ARG 56 2HH2 ARG 56 -1.151 -17.186 15.402 450 H LYS 57 H LYS 57 0.755 -9.645 20.293 451 HA LYS 57 HA LYS 57 1.486 -7.197 19.203 452 HB2 LYS 57 2HB LYS 57 0.676 -8.112 21.925 453 HB3 LYS 57 3HB LYS 57 1.320 -6.485 21.751 454 HG2 LYS 57 2HG LYS 57 -0.454 -5.777 20.455 455 HG3 LYS 57 3HG LYS 57 -0.878 -7.416 19.958 456 HD2 LYS 57 2HD LYS 57 -1.497 -7.845 22.375 457 HD3 LYS 57 3HD LYS 57 -1.345 -6.105 22.628 458 HE2 LYS 57 2HE LYS 57 -3.190 -5.622 21.344 459 HE3 LYS 57 3HE LYS 57 -3.042 -7.095 20.387 460 HZ1 LYS 57 3HZ LYS 57 -4.946 -7.147 21.903 461 HZ2 LYS 57 1HZ LYS 57 -3.905 -6.994 23.227 462 HZ3 LYS 57 2HZ LYS 57 -3.836 -8.374 22.252 463 H LEU 58 H LEU 58 3.070 -8.942 21.881 464 HA LEU 58 HA LEU 58 5.172 -7.225 22.343 465 HB2 LEU 58 2HB LEU 58 4.799 -9.079 23.789 466 HB3 LEU 58 3HB LEU 58 5.052 -10.229 22.477 467 HG LEU 58 HG LEU 58 7.439 -8.787 22.656 468 HD11 LEU 58 1HD1 LEU 58 7.094 -9.817 25.382 469 HD12 LEU 58 2HD1 LEU 58 6.217 -8.328 25.030 470 HD13 LEU 58 3HD1 LEU 58 7.965 -8.397 24.802 471 HD21 LEU 58 3HD2 LEU 58 7.423 -11.071 22.072 472 HD22 LEU 58 1HD2 LEU 58 6.582 -11.526 23.554 473 HD23 LEU 58 2HD2 LEU 58 8.259 -10.984 23.623 474 H LEU 59 H LEU 59 5.115 -9.969 20.073 475 HA LEU 59 HA LEU 59 7.677 -9.736 19.057 476 HB2 LEU 59 2HB LEU 59 5.111 -10.625 17.770 477 HB3 LEU 59 3HB LEU 59 6.663 -10.709 16.938 478 HG LEU 59 HG LEU 59 5.855 -12.202 19.431 479 HD11 LEU 59 1HD1 LEU 59 6.540 -14.114 17.781 480 HD12 LEU 59 2HD1 LEU 59 6.169 -12.905 16.552 481 HD13 LEU 59 3HD1 LEU 59 4.930 -13.398 17.706 482 HD21 LEU 59 3HD2 LEU 59 8.510 -11.987 18.029 483 HD22 LEU 59 1HD2 LEU 59 8.100 -13.304 19.128 484 HD23 LEU 59 2HD2 LEU 59 8.141 -11.643 19.719 485 H GLY 60 H GLY 60 4.702 -8.180 17.868 486 HA2 GLY 60 2HA GLY 60 5.855 -6.794 15.727 487 HA3 GLY 60 3HA GLY 60 4.388 -6.317 16.567 488 H LEU 61 H LEU 61 5.712 -6.007 19.144 489 HA LEU 61 HA LEU 61 6.473 -3.291 18.899 490 HB2 LEU 61 2HB LEU 61 5.492 -4.669 20.910 491 HB3 LEU 61 3HB LEU 61 7.195 -4.904 21.299 492 HG LEU 61 HG LEU 61 6.221 -3.059 22.569 493 HD11 LEU 61 1HD1 LEU 61 8.623 -3.089 21.328 494 HD12 LEU 61 2HD1 LEU 61 8.108 -1.846 22.467 495 HD13 LEU 61 3HD1 LEU 61 7.962 -1.567 20.732 496 HD21 LEU 61 3HD2 LEU 61 5.120 -1.280 21.666 497 HD22 LEU 61 1HD2 LEU 61 4.683 -2.513 20.483 498 HD23 LEU 61 2HD2 LEU 61 5.987 -1.378 20.132 499 H TYR 62 H TYR 62 8.328 -6.244 19.574 500 HA TYR 62 HA TYR 62 10.837 -4.967 19.806 501 HB2 TYR 62 2HB TYR 62 9.903 -7.774 19.436 502 HB3 TYR 62 3HB TYR 62 11.596 -7.419 19.108 503 HD1 TYR 62 HD2 TYR 62 12.627 -5.782 21.057 504 HD2 TYR 62 HD1 TYR 62 9.482 -8.608 21.535 505 HE1 TYR 62 HE2 TYR 62 13.125 -5.922 23.462 506 HE2 TYR 62 HE1 TYR 62 9.971 -8.754 23.941 507 HH TYR 62 HH TYR 62 11.037 -7.351 25.691 508 H LEU 63 H LEU 63 9.056 -6.273 17.076 509 HA LEU 63 HA LEU 63 11.171 -6.181 15.198 510 HB2 LEU 63 2HB LEU 63 9.189 -7.512 14.809 511 HB3 LEU 63 3HB LEU 63 8.183 -6.065 14.812 512 HG LEU 63 HG LEU 63 9.231 -5.319 12.739 513 HD11 LEU 63 1HD1 LEU 63 11.433 -6.184 12.920 514 HD12 LEU 63 2HD1 LEU 63 10.694 -6.953 11.516 515 HD13 LEU 63 3HD1 LEU 63 10.844 -7.843 13.031 516 HD21 LEU 63 3HD2 LEU 63 8.486 -7.326 11.305 517 HD22 LEU 63 1HD2 LEU 63 7.290 -6.533 12.331 518 HD23 LEU 63 2HD2 LEU 63 8.017 -8.057 12.841 519 H MET 64 H MET 64 8.414 -3.972 15.701 520 HA MET 64 HA MET 64 9.255 -2.021 13.870 521 HB2 MET 64 2HB MET 64 7.537 -0.685 14.698 522 HB3 MET 64 3HB MET 64 6.975 -2.311 15.060 523 HG2 MET 64 2HG MET 64 6.569 -1.396 17.073 524 HG3 MET 64 3HG MET 64 8.264 -1.796 17.337 525 HE1 MET 64 3HE MET 64 6.467 0.105 18.883 526 HE2 MET 64 1HE MET 64 8.112 0.414 19.439 527 HE3 MET 64 2HE MET 64 7.086 1.756 18.931 528 H ASN 65 H ASN 65 10.142 -2.633 17.187 529 HA ASN 65 HA ASN 65 11.340 -0.110 17.706 530 HB2 ASN 65 2HB ASN 65 10.613 -1.800 19.440 531 HB3 ASN 65 3HB ASN 65 12.041 -2.741 19.017 532 HD21 ASN 65 1HD2 ASN 65 13.059 -2.554 20.957 533 HD22 ASN 65 2HD2 ASN 65 13.676 -1.061 21.572 534 H HIS 66 H HIS 66 12.647 -3.250 16.685 535 HA HIS 66 HA HIS 66 15.346 -2.387 16.556 536 HB2 HIS 66 2HB HIS 66 14.414 -4.793 16.651 537 HB3 HIS 66 3HB HIS 66 14.219 -4.639 14.907 538 HD1 HIS 66 HD1 HIS 66 17.125 -3.631 17.153 539 HD2 HIS 66 HD2 HIS 66 16.293 -6.007 13.848 540 HE1 HIS 66 HE1 HIS 66 19.343 -4.563 16.419 541 H VAL 67 H VAL 67 12.679 -2.348 14.291 542 HA VAL 67 HA VAL 67 14.212 -1.802 11.961 543 HB VAL 67 HB VAL 67 11.304 -1.230 12.546 544 HG11 VAL 67 1HG1 VAL 67 11.133 -1.205 10.026 545 HG12 VAL 67 2HG1 VAL 67 11.929 0.190 10.757 546 HG13 VAL 67 3HG1 VAL 67 12.891 -1.077 9.994 547 HG21 VAL 67 3HG2 VAL 67 12.671 -3.655 12.127 548 HG22 VAL 67 1HG2 VAL 67 10.929 -3.390 12.193 549 HG23 VAL 67 2HG2 VAL 67 11.774 -3.319 10.646 550 H VAL 68 H VAL 68 12.314 0.288 14.130 551 HA VAL 68 HA VAL 68 12.996 2.706 12.816 552 HB VAL 68 HB VAL 68 12.078 3.848 14.746 553 HG11 VAL 68 1HG1 VAL 68 10.716 1.776 13.294 554 HG12 VAL 68 2HG1 VAL 68 10.012 1.962 14.901 555 HG13 VAL 68 3HG1 VAL 68 10.121 3.351 13.819 556 HG21 VAL 68 3HG2 VAL 68 12.167 1.140 16.070 557 HG22 VAL 68 1HG2 VAL 68 13.057 2.589 16.540 558 HG23 VAL 68 2HG2 VAL 68 11.303 2.535 16.715 559 H GLN 69 H GLN 69 14.466 0.863 15.410 560 HA GLN 69 HA GLN 69 16.288 2.914 16.212 561 HB2 GLN 69 2HB GLN 69 15.982 -0.004 16.792 562 HB3 GLN 69 3HB GLN 69 17.484 0.802 17.222 563 HG2 GLN 69 2HG GLN 69 16.124 2.466 18.500 564 HG3 GLN 69 3HG GLN 69 14.718 1.446 18.203 565 HE21 GLN 69 1HE2 GLN 69 14.311 0.816 20.253 566 HE22 GLN 69 2HE2 GLN 69 15.392 -0.132 21.210 567 H GLN 70 H GLN 70 16.530 0.037 14.155 568 HA GLN 70 HA GLN 70 19.291 0.450 13.543 569 HB2 GLN 70 2HB GLN 70 17.167 -1.295 12.298 570 HB3 GLN 70 3HB GLN 70 18.838 -1.272 11.748 571 HG2 GLN 70 2HG GLN 70 18.284 -1.756 14.630 572 HG3 GLN 70 3HG GLN 70 17.997 -3.055 13.472 573 HE21 GLN 70 1HE2 GLN 70 19.977 -2.888 11.723 574 HE22 GLN 70 2HE2 GLN 70 21.517 -3.071 12.484 575 H ALA 71 H ALA 71 16.257 1.452 12.146 576 HA ALA 71 HA ALA 71 16.968 2.109 9.567 577 HB1 ALA 71 1HB ALA 71 15.326 4.198 10.319 578 HB2 ALA 71 2HB ALA 71 14.806 2.633 9.693 579 HB3 ALA 71 3HB ALA 71 14.892 2.901 11.434 580 H LYS 72 H LYS 72 17.738 3.774 12.548 581 HA LYS 72 HA LYS 72 18.525 6.253 11.577 582 HB2 LYS 72 2HB LYS 72 19.178 4.615 13.960 583 HB3 LYS 72 3HB LYS 72 20.299 5.915 13.578 584 HG2 LYS 72 2HG LYS 72 18.310 7.459 13.522 585 HG3 LYS 72 3HG LYS 72 17.366 6.129 14.195 586 HD2 LYS 72 2HD LYS 72 17.988 7.252 16.107 587 HD3 LYS 72 3HD LYS 72 19.282 6.059 15.975 588 HE2 LYS 72 2HE LYS 72 20.501 7.967 16.340 589 HE3 LYS 72 3HE LYS 72 20.450 7.948 14.578 590 HZ1 LYS 72 3HZ LYS 72 19.887 10.115 15.150 591 HZ2 LYS 72 1HZ LYS 72 18.905 9.638 16.443 592 HZ3 LYS 72 2HZ LYS 72 18.386 9.394 14.852 593 H GLY 73 H GLY 73 20.166 3.167 11.465 594 HA2 GLY 73 2HA GLY 73 22.684 4.319 10.623 595 HA3 GLY 73 3HA GLY 73 22.303 2.607 10.736 596 H GLN 74 H GLN 74 19.800 3.198 9.100 597 HA GLN 74 HA GLN 74 21.139 2.995 6.503 598 HB2 GLN 74 2HB GLN 74 18.582 1.986 7.629 599 HB3 GLN 74 3HB GLN 74 18.603 2.373 5.914 600 HG2 GLN 74 2HG GLN 74 19.887 0.610 5.395 601 HG3 GLN 74 3HG GLN 74 20.870 0.764 6.850 602 HE21 GLN 74 1HE2 GLN 74 19.635 0.208 8.909 603 HE22 GLN 74 2HE2 GLN 74 18.664 -1.219 8.848 604 H LYS 75 H LYS 75 20.451 5.510 8.079 605 HA LYS 75 HA LYS 75 19.646 7.609 7.702 606 HB2 LYS 75 2HB LYS 75 20.313 6.645 4.931 607 HB3 LYS 75 3HB LYS 75 19.694 8.268 5.209 608 HG2 LYS 75 2HG LYS 75 21.930 8.683 5.261 609 HG3 LYS 75 3HG LYS 75 21.647 8.351 6.971 610 HD2 LYS 75 2HD LYS 75 23.478 7.021 6.574 611 HD3 LYS 75 3HD LYS 75 22.169 5.880 6.254 612 HE2 LYS 75 2HE LYS 75 23.243 7.541 4.020 613 HE3 LYS 75 3HE LYS 75 24.162 6.141 4.570 614 HZ1 LYS 75 3HZ LYS 75 22.866 5.074 3.099 615 HZ2 LYS 75 1HZ LYS 75 21.656 6.257 3.117 616 HZ3 LYS 75 2HZ LYS 75 21.721 5.095 4.345 617 H ILE 76 H ILE 76 17.570 6.295 8.422 618 HA ILE 76 HA ILE 76 15.479 6.958 6.458 619 HB ILE 76 HB ILE 76 15.201 4.666 8.384 620 HG12 ILE 76 2HG1 ILE 76 16.226 4.577 5.539 621 HG13 ILE 76 3HG1 ILE 76 17.132 4.157 6.988 622 HG21 ILE 76 1HG2 ILE 76 13.803 5.285 5.786 623 HG22 ILE 76 2HG2 ILE 76 13.421 3.976 6.903 624 HG23 ILE 76 3HG2 ILE 76 13.169 5.652 7.390 625 HD11 ILE 76 3HD1 ILE 76 14.907 2.669 5.661 626 HD12 ILE 76 1HD1 ILE 76 16.518 2.107 6.107 627 HD13 ILE 76 2HD1 ILE 76 15.305 2.390 7.356 628 H ILE 77 H ILE 77 14.106 8.426 7.197 629 HA ILE 77 HA ILE 77 13.743 8.671 10.112 630 HB ILE 77 HB ILE 77 13.427 10.902 8.107 631 HG12 ILE 77 2HG1 ILE 77 15.765 10.168 8.162 632 HG13 ILE 77 3HG1 ILE 77 15.588 11.745 8.923 633 HG21 ILE 77 1HG2 ILE 77 12.333 11.799 9.842 634 HG22 ILE 77 2HG2 ILE 77 12.958 10.603 10.975 635 HG23 ILE 77 3HG2 ILE 77 13.932 12.011 10.554 636 HD11 ILE 77 3HD1 ILE 77 15.797 9.123 10.384 637 HD12 ILE 77 1HD1 ILE 77 17.110 10.277 10.151 638 HD13 ILE 77 2HD1 ILE 77 15.702 10.725 11.114 639 H GLN 78 H GLN 78 12.219 8.484 6.994 640 HA GLN 78 HA GLN 78 9.644 9.338 7.581 641 HB2 GLN 78 2HB GLN 78 10.640 7.205 5.697 642 HB3 GLN 78 3HB GLN 78 8.950 7.686 5.776 643 HG2 GLN 78 2HG GLN 78 9.683 8.994 4.059 644 HG3 GLN 78 3HG GLN 78 9.926 10.084 5.423 645 HE21 GLN 78 1HE2 GLN 78 11.843 10.997 5.595 646 HE22 GLN 78 2HE2 GLN 78 13.300 10.450 4.847 647 H PHE 79 H PHE 79 11.162 6.199 8.136 648 HA PHE 79 HA PHE 79 8.792 4.907 9.040 649 HB2 PHE 79 2HB PHE 79 11.616 4.242 8.742 650 HB3 PHE 79 3HB PHE 79 10.912 3.540 10.195 651 HD1 PHE 79 HD1 PHE 79 8.309 2.716 9.565 652 HD2 PHE 79 HD2 PHE 79 11.731 2.729 7.033 653 HE1 PHE 79 HE1 PHE 79 7.312 0.919 8.213 654 HE2 PHE 79 HE2 PHE 79 10.738 0.933 5.677 655 HZ PHE 79 HZ PHE 79 8.526 0.025 6.266 656 H GLN 80 H GLN 80 11.378 6.692 10.614 657 HA GLN 80 HA GLN 80 10.837 6.020 13.271 658 HB2 GLN 80 2HB GLN 80 11.900 8.615 12.143 659 HB3 GLN 80 3HB GLN 80 11.963 8.153 13.839 660 HG2 GLN 80 2HG GLN 80 13.410 6.296 13.324 661 HG3 GLN 80 3HG GLN 80 13.275 6.632 11.598 662 HE21 GLN 80 1HE2 GLN 80 15.667 6.498 13.180 663 HE22 GLN 80 2HE2 GLN 80 16.426 8.047 13.079 664 H ASP 81 H ASP 81 9.637 8.764 11.348 665 HA ASP 81 HA ASP 81 7.937 9.752 13.400 666 HB2 ASP 81 2HB ASP 81 8.556 11.337 11.779 667 HB3 ASP 81 3HB ASP 81 8.156 10.260 10.444 668 H SER 82 H SER 82 7.430 7.649 10.606 669 HA SER 82 HA SER 82 4.639 7.467 10.749 670 HB2 SER 82 2HB SER 82 4.818 5.592 9.299 671 HB3 SER 82 3HB SER 82 6.168 6.647 8.879 672 HG SER 82 HG SER 82 6.258 4.117 9.642 673 H PHE 83 H PHE 83 7.155 5.437 12.218 674 HA PHE 83 HA PHE 83 5.244 3.778 13.577 675 HB2 PHE 83 2HB PHE 83 8.212 3.949 13.423 676 HB3 PHE 83 3HB PHE 83 7.518 3.161 14.836 677 HD1 PHE 83 HD1 PHE 83 5.314 1.652 13.926 678 HD2 PHE 83 HD2 PHE 83 8.996 2.405 11.928 679 HE1 PHE 83 HE1 PHE 83 5.031 -0.421 12.631 680 HE2 PHE 83 HE2 PHE 83 8.719 0.334 10.630 681 HZ PHE 83 HZ PHE 83 6.734 -1.081 10.979 682 H GLY 84 H GLY 84 6.927 6.721 14.250 683 HA2 GLY 84 2HA GLY 84 6.653 6.578 17.111 684 HA3 GLY 84 3HA GLY 84 7.145 7.983 16.177 685 H LYS 85 H LYS 85 4.773 7.902 14.467 686 HA LYS 85 HA LYS 85 3.050 9.469 16.130 687 HB2 LYS 85 2HB LYS 85 1.725 9.799 14.122 688 HB3 LYS 85 3HB LYS 85 3.432 9.995 13.749 689 HG2 LYS 85 2HG LYS 85 3.535 7.998 12.569 690 HG3 LYS 85 3HG LYS 85 2.065 7.369 13.318 691 HD2 LYS 85 2HD LYS 85 2.066 9.778 11.515 692 HD3 LYS 85 3HD LYS 85 1.872 8.133 10.905 693 HE2 LYS 85 2HE LYS 85 0.137 9.085 13.139 694 HE3 LYS 85 3HE LYS 85 -0.220 9.598 11.490 695 HZ1 LYS 85 3HZ LYS 85 -1.301 7.683 11.292 696 HZ2 LYS 85 1HZ LYS 85 -0.669 7.070 12.736 697 HZ3 LYS 85 2HZ LYS 85 0.202 6.905 11.296 698 H VAL 86 H VAL 86 3.313 6.167 15.518 699 HA VAL 86 HA VAL 86 0.546 5.721 16.436 700 HB VAL 86 HB VAL 86 0.516 3.602 15.265 701 HG11 VAL 86 1HG1 VAL 86 0.132 5.942 14.112 702 HG12 VAL 86 2HG1 VAL 86 1.531 5.443 13.158 703 HG13 VAL 86 3HG1 VAL 86 0.077 4.444 13.184 704 HG21 VAL 86 3HG2 VAL 86 2.526 3.354 13.554 705 HG22 VAL 86 1HG2 VAL 86 3.384 4.232 14.820 706 HG23 VAL 86 2HG2 VAL 86 2.607 2.692 15.186 707 H ALA 87 H ALA 87 3.771 5.503 17.236 708 HA ALA 87 HA ALA 87 3.868 3.050 18.642 709 HB1 ALA 87 1HB ALA 87 5.583 5.342 18.252 710 HB2 ALA 87 2HB ALA 87 5.651 4.761 19.916 711 HB3 ALA 87 3HB ALA 87 6.005 3.662 18.583 712 H ALA 88 H ALA 88 3.296 6.387 19.745 713 HA ALA 88 HA ALA 88 2.931 5.792 22.460 714 HB1 ALA 88 1HB ALA 88 2.126 8.066 20.700 715 HB2 ALA 88 2HB ALA 88 1.511 7.977 22.351 716 HB3 ALA 88 3HB ALA 88 3.249 8.039 22.060 717 H GLU 89 H GLU 89 0.768 5.573 19.727 718 HA GLU 89 HA GLU 89 -1.623 5.312 21.284 719 HB2 GLU 89 2HB GLU 89 -1.421 6.074 18.841 720 HB3 GLU 89 3HB GLU 89 -1.274 4.367 18.447 721 HG2 GLU 89 2HG GLU 89 -3.534 4.900 18.134 722 HG3 GLU 89 3HG GLU 89 -3.459 4.028 19.664 723 H VAL 90 H VAL 90 0.547 3.061 19.616 724 HA VAL 90 HA VAL 90 -0.951 0.731 20.296 725 HB VAL 90 HB VAL 90 1.932 0.989 19.429 726 HG11 VAL 90 1HG1 VAL 90 1.994 -1.137 20.196 727 HG12 VAL 90 2HG1 VAL 90 0.241 -1.330 20.124 728 HG13 VAL 90 3HG1 VAL 90 1.208 -1.478 18.655 729 HG21 VAL 90 3HG2 VAL 90 -0.516 1.319 18.011 730 HG22 VAL 90 1HG2 VAL 90 1.136 1.387 17.396 731 HG23 VAL 90 2HG2 VAL 90 0.273 -0.150 17.437 732 H LEU 91 H LEU 91 2.204 1.937 21.452 733 HA LEU 91 HA LEU 91 2.653 0.101 23.455 734 HB2 LEU 91 2HB LEU 91 3.424 2.952 23.067 735 HB3 LEU 91 3HB LEU 91 3.772 2.182 24.613 736 HG LEU 91 HG LEU 91 4.999 0.400 23.278 737 HD11 LEU 91 1HD1 LEU 91 5.712 0.919 21.065 738 HD12 LEU 91 2HD1 LEU 91 4.950 2.508 21.129 739 HD13 LEU 91 3HD1 LEU 91 3.953 1.053 21.103 740 HD21 LEU 91 3HD2 LEU 91 5.896 3.247 23.540 741 HD22 LEU 91 1HD2 LEU 91 6.965 2.013 22.871 742 HD23 LEU 91 2HD2 LEU 91 6.342 1.844 24.513 743 H GLY 92 H GLY 92 0.571 2.932 23.491 744 HA2 GLY 92 2HA GLY 92 0.066 2.904 26.296 745 HA3 GLY 92 3HA GLY 92 -0.882 3.746 25.080 746 H ARG 93 H ARG 93 -1.476 1.377 23.528 747 HA ARG 93 HA ARG 93 -3.734 0.459 25.063 748 HB2 ARG 93 2HB ARG 93 -2.826 0.265 22.248 749 HB3 ARG 93 3HB ARG 93 -3.857 -1.035 22.828 750 HG2 ARG 93 2HG ARG 93 -4.720 1.745 23.381 751 HG3 ARG 93 3HG ARG 93 -4.831 1.163 21.719 752 HD2 ARG 93 2HD ARG 93 -6.282 -0.596 22.328 753 HD3 ARG 93 3HD ARG 93 -5.939 -0.385 24.044 754 HE ARG 93 HE ARG 93 -7.089 1.963 22.943 755 HH11 ARG 93 1HH1 ARG 93 -7.870 -1.260 24.005 756 HH12 ARG 93 2HH1 ARG 93 -9.510 -0.871 24.405 757 HH21 ARG 93 1HH2 ARG 93 -9.247 2.487 23.467 758 HH22 ARG 93 2HH2 ARG 93 -10.292 1.260 24.098 759 H ILE 94 H ILE 94 -1.005 -1.164 23.437 760 HA ILE 94 HA ILE 94 -1.497 -3.736 24.377 761 HB ILE 94 HB ILE 94 0.781 -4.272 23.838 762 HG12 ILE 94 2HG1 ILE 94 1.261 -1.284 23.789 763 HG13 ILE 94 3HG1 ILE 94 1.890 -2.416 24.981 764 HG21 ILE 94 1HG2 ILE 94 -0.237 -2.166 21.934 765 HG22 ILE 94 2HG2 ILE 94 0.915 -3.445 21.554 766 HG23 ILE 94 3HG2 ILE 94 -0.749 -3.853 21.969 767 HD11 ILE 94 3HD1 ILE 94 3.715 -2.357 23.687 768 HD12 ILE 94 1HD1 ILE 94 2.825 -3.526 22.711 769 HD13 ILE 94 2HD1 ILE 94 2.820 -1.819 22.266 770 H ASN 95 H ASN 95 -0.139 -0.985 25.989 771 HA ASN 95 HA ASN 95 1.225 -2.330 28.066 772 HB2 ASN 95 2HB ASN 95 1.742 -0.032 27.712 773 HB3 ASN 95 3HB ASN 95 0.052 0.443 27.861 774 HD21 ASN 95 1HD2 ASN 95 -0.736 0.954 29.809 775 HD22 ASN 95 2HD2 ASN 95 0.148 0.843 31.289 776 H GLN 96 H GLN 96 -2.120 -1.467 27.575 777 HA GLN 96 HA GLN 96 -2.922 -1.935 30.288 778 HB2 GLN 96 2HB GLN 96 -4.573 -1.758 27.762 779 HB3 GLN 96 3HB GLN 96 -5.217 -1.766 29.399 780 HG2 GLN 96 2HG GLN 96 -3.777 0.302 29.788 781 HG3 GLN 96 3HG GLN 96 -3.605 0.359 28.035 782 HE21 GLN 96 1HE2 GLN 96 -5.330 0.955 26.779 783 HE22 GLN 96 2HE2 GLN 96 -6.791 1.607 27.430 784 H GLU 97 H GLU 97 -3.107 -3.762 27.255 785 HA GLU 97 HA GLU 97 -4.423 -6.007 28.425 786 HB2 GLU 97 2HB GLU 97 -2.864 -5.807 25.842 787 HB3 GLU 97 3HB GLU 97 -3.918 -7.138 26.299 788 HG2 GLU 97 2HG GLU 97 -5.044 -4.389 26.251 789 HG3 GLU 97 3HG GLU 97 -4.745 -5.211 24.721 790 H PHE 98 H PHE 98 -1.086 -5.098 27.873 791 HA PHE 98 HA PHE 98 0.093 -7.619 28.318 792 HB2 PHE 98 2HB PHE 98 1.046 -4.792 28.362 793 HB3 PHE 98 3HB PHE 98 2.076 -6.025 29.083 794 HD1 PHE 98 HD1 PHE 98 -0.115 -6.665 26.206 795 HD2 PHE 98 HD2 PHE 98 3.851 -5.820 27.502 796 HE1 PHE 98 HE1 PHE 98 0.737 -7.254 23.974 797 HE2 PHE 98 HE2 PHE 98 4.708 -6.406 25.271 798 HZ PHE 98 HZ PHE 98 3.151 -7.123 23.504 799 HA PRO 99 HA PRO 99 -0.585 -8.091 32.662 800 HB2 PRO 99 2HB PRO 99 1.167 -10.124 33.069 801 HB3 PRO 99 3HB PRO 99 -0.398 -10.349 32.279 802 HG2 PRO 99 2HG PRO 99 2.317 -10.049 31.054 803 HG3 PRO 99 3HG PRO 99 1.014 -11.172 30.625 804 HD2 PRO 99 2HD PRO 99 1.501 -8.903 29.229 805 HD3 PRO 99 3HD PRO 99 -0.130 -9.579 29.414 806 H ARG 100 H ARG 100 0.860 -8.385 34.674 807 HA ARG 100 HA ARG 100 2.550 -6.140 34.885 808 HB2 ARG 100 2HB ARG 100 1.337 -7.030 36.805 809 HB3 ARG 100 3HB ARG 100 2.258 -8.525 36.718 810 HG2 ARG 100 2HG ARG 100 4.238 -7.471 37.427 811 HG3 ARG 100 3HG ARG 100 3.569 -5.861 37.154 812 HD2 ARG 100 2HD ARG 100 2.238 -5.953 39.050 813 HD3 ARG 100 3HD ARG 100 2.273 -7.714 39.109 814 HE ARG 100 HE ARG 100 4.860 -6.599 39.512 815 HH11 ARG 100 1HH1 ARG 100 1.821 -7.233 41.086 816 HH12 ARG 100 2HH1 ARG 100 2.511 -7.315 42.673 817 HH21 ARG 100 1HH2 ARG 100 5.781 -6.704 41.596 818 HH22 ARG 100 2HH2 ARG 100 4.763 -7.013 42.962 819 H ASP 101 H ASP 101 3.136 -9.397 33.935 820 HA ASP 101 HA ASP 101 5.942 -9.424 34.504 821 HB2 ASP 101 2HB ASP 101 4.162 -11.181 32.817 822 HB3 ASP 101 3HB ASP 101 5.900 -11.442 32.947 823 H LEU 102 H LEU 102 4.023 -9.049 31.532 824 HA LEU 102 HA LEU 102 6.278 -8.574 29.866 825 HB2 LEU 102 2HB LEU 102 3.335 -8.062 29.516 826 HB3 LEU 102 3HB LEU 102 4.524 -7.700 28.266 827 HG LEU 102 HG LEU 102 3.846 -10.421 29.380 828 HD11 LEU 102 1HD1 LEU 102 2.525 -8.956 27.482 829 HD12 LEU 102 2HD1 LEU 102 2.504 -10.714 27.620 830 HD13 LEU 102 3HD1 LEU 102 3.631 -9.930 26.513 831 HD21 LEU 102 3HD2 LEU 102 6.228 -9.461 28.080 832 HD22 LEU 102 1HD2 LEU 102 5.413 -10.663 27.079 833 HD23 LEU 102 2HD2 LEU 102 5.872 -11.061 28.734 834 H LYS 103 H LYS 103 4.183 -6.541 31.784 835 HA LYS 103 HA LYS 103 4.622 -4.049 30.688 836 HB2 LYS 103 2HB LYS 103 4.114 -5.012 33.473 837 HB3 LYS 103 3HB LYS 103 4.522 -3.320 33.222 838 HG2 LYS 103 2HG LYS 103 2.563 -3.868 31.323 839 HG3 LYS 103 3HG LYS 103 2.029 -4.695 32.788 840 HD2 LYS 103 2HD LYS 103 2.650 -2.442 33.948 841 HD3 LYS 103 3HD LYS 103 2.507 -1.781 32.318 842 HE2 LYS 103 2HE LYS 103 0.388 -1.515 33.341 843 HE3 LYS 103 3HE LYS 103 0.231 -2.855 32.206 844 HZ1 LYS 103 3HZ LYS 103 -0.018 -4.356 33.868 845 HZ2 LYS 103 1HZ LYS 103 -0.639 -3.006 34.677 846 HZ3 LYS 103 2HZ LYS 103 0.952 -3.504 34.961 847 H LYS 104 H LYS 104 6.606 -5.730 33.114 848 HA LYS 104 HA LYS 104 8.529 -3.761 33.505 849 HB2 LYS 104 2HB LYS 104 8.836 -6.768 33.566 850 HB3 LYS 104 3HB LYS 104 10.031 -5.634 34.182 851 HG2 LYS 104 2HG LYS 104 8.016 -4.752 35.601 852 HG3 LYS 104 3HG LYS 104 7.360 -6.359 35.278 853 HD2 LYS 104 2HD LYS 104 8.505 -6.789 37.210 854 HD3 LYS 104 3HD LYS 104 9.780 -7.109 36.032 855 HE2 LYS 104 2HE LYS 104 10.467 -4.690 36.322 856 HE3 LYS 104 3HE LYS 104 9.369 -4.637 37.700 857 HZ1 LYS 104 3HZ LYS 104 11.808 -5.161 38.140 858 HZ2 LYS 104 1HZ LYS 104 11.479 -6.694 37.505 859 HZ3 LYS 104 2HZ LYS 104 10.654 -6.153 38.879 860 H LYS 105 H LYS 105 8.209 -6.139 30.943 861 HA LYS 105 HA LYS 105 10.791 -5.666 29.809 862 HB2 LYS 105 2HB LYS 105 8.344 -6.884 28.517 863 HB3 LYS 105 3HB LYS 105 10.000 -7.012 27.938 864 HG2 LYS 105 2HG LYS 105 10.625 -8.323 29.850 865 HG3 LYS 105 3HG LYS 105 9.036 -8.085 30.581 866 HD2 LYS 105 2HD LYS 105 8.185 -9.153 28.345 867 HD3 LYS 105 3HD LYS 105 9.828 -9.792 28.262 868 HE2 LYS 105 2HE LYS 105 8.122 -10.091 30.716 869 HE3 LYS 105 3HE LYS 105 8.051 -11.244 29.384 870 HZ1 LYS 105 3HZ LYS 105 9.700 -12.252 30.478 871 HZ2 LYS 105 1HZ LYS 105 10.080 -10.886 31.401 872 HZ3 LYS 105 2HZ LYS 105 10.697 -11.046 29.834 873 H LEU 106 H LEU 106 7.598 -4.304 29.395 874 HA LEU 106 HA LEU 106 8.272 -2.865 26.995 875 HB2 LEU 106 2HB LEU 106 5.989 -3.575 27.385 876 HB3 LEU 106 3HB LEU 106 5.927 -2.636 28.875 877 HG LEU 106 HG LEU 106 6.471 -1.203 26.323 878 HD11 LEU 106 1HD1 LEU 106 4.268 -1.176 25.604 879 HD12 LEU 106 2HD1 LEU 106 3.652 -1.780 27.141 880 HD13 LEU 106 3HD1 LEU 106 4.515 -2.864 26.050 881 HD21 LEU 106 3HD2 LEU 106 5.430 -0.632 29.029 882 HD22 LEU 106 1HD2 LEU 106 4.718 0.280 27.699 883 HD23 LEU 106 2HD2 LEU 106 6.458 0.341 27.977 884 H SER 107 H SER 107 8.228 -2.233 30.434 885 HA SER 107 HA SER 107 8.463 0.594 30.265 886 HB2 SER 107 2HB SER 107 7.687 -0.581 32.303 887 HB3 SER 107 3HB SER 107 9.306 -1.248 32.517 888 HG SER 107 HG SER 107 10.051 0.687 33.090 889 H ARG 108 H ARG 108 10.732 -2.044 30.130 890 HA ARG 108 HA ARG 108 13.047 -0.354 30.496 891 HB2 ARG 108 2HB ARG 108 14.341 -2.382 30.096 892 HB3 ARG 108 3HB ARG 108 13.068 -2.685 31.270 893 HG2 ARG 108 2HG ARG 108 11.772 -3.883 29.702 894 HG3 ARG 108 3HG ARG 108 12.771 -3.336 28.354 895 HD2 ARG 108 2HD ARG 108 14.688 -4.530 29.648 896 HD3 ARG 108 3HD ARG 108 13.369 -5.378 30.453 897 HE ARG 108 HE ARG 108 13.008 -5.478 27.658 898 HH11 ARG 108 1HH1 ARG 108 15.011 -6.785 30.187 899 HH12 ARG 108 2HH1 ARG 108 15.350 -8.257 29.338 900 HH21 ARG 108 1HH2 ARG 108 13.446 -7.411 26.530 901 HH22 ARG 108 2HH2 ARG 108 14.459 -8.611 27.257 902 H VAL 109 H VAL 109 11.180 -1.650 27.858 903 HA VAL 109 HA VAL 109 13.146 -1.118 25.835 904 HB VAL 109 HB VAL 109 10.196 -1.726 25.631 905 HG11 VAL 109 1HG1 VAL 109 10.616 -0.577 23.655 906 HG12 VAL 109 2HG1 VAL 109 12.261 -1.203 23.525 907 HG13 VAL 109 3HG1 VAL 109 10.886 -2.260 23.204 908 HG21 VAL 109 3HG2 VAL 109 12.325 -3.566 24.682 909 HG22 VAL 109 1HG2 VAL 109 12.075 -3.423 26.422 910 HG23 VAL 109 2HG2 VAL 109 10.745 -3.925 25.379 911 H VAL 110 H VAL 110 10.195 0.477 26.978 912 HA VAL 110 HA VAL 110 10.020 2.516 25.104 913 HB VAL 110 HB VAL 110 8.248 2.157 26.706 914 HG11 VAL 110 1HG1 VAL 110 9.606 1.477 28.615 915 HG12 VAL 110 2HG1 VAL 110 10.192 3.132 28.798 916 HG13 VAL 110 3HG1 VAL 110 8.487 2.765 29.063 917 HG21 VAL 110 3HG2 VAL 110 8.735 4.466 25.730 918 HG22 VAL 110 1HG2 VAL 110 7.670 4.391 27.134 919 HG23 VAL 110 2HG2 VAL 110 9.353 4.881 27.329 920 H ASN 111 H ASN 111 12.075 2.232 27.939 921 HA ASN 111 HA ASN 111 12.980 4.917 27.978 922 HB2 ASN 111 2HB ASN 111 13.863 2.349 29.212 923 HB3 ASN 111 3HB ASN 111 15.005 3.689 29.189 924 HD21 ASN 111 1HD2 ASN 111 13.059 2.223 31.177 925 HD22 ASN 111 2HD2 ASN 111 12.438 3.542 32.105 926 H ILE 112 H ILE 112 14.070 2.017 26.322 927 HA ILE 112 HA ILE 112 16.584 2.771 25.477 928 HB ILE 112 HB ILE 112 14.527 1.240 23.881 929 HG12 ILE 112 2HG1 ILE 112 16.740 0.221 25.675 930 HG13 ILE 112 3HG1 ILE 112 15.045 0.312 26.139 931 HG21 ILE 112 1HG2 ILE 112 17.490 1.602 23.544 932 HG22 ILE 112 2HG2 ILE 112 16.625 0.229 22.854 933 HG23 ILE 112 3HG2 ILE 112 16.207 1.871 22.364 934 HD11 ILE 112 3HD1 ILE 112 15.332 -1.898 25.513 935 HD12 ILE 112 1HD1 ILE 112 14.621 -1.158 24.079 936 HD13 ILE 112 2HD1 ILE 112 16.354 -1.480 24.138 937 H LEU 113 H LEU 113 13.447 3.627 24.091 938 HA LEU 113 HA LEU 113 14.232 4.827 21.736 939 HB2 LEU 113 2HB LEU 113 11.992 5.335 23.644 940 HB3 LEU 113 3HB LEU 113 12.229 6.418 22.274 941 HG LEU 113 HG LEU 113 10.528 4.693 21.843 942 HD11 LEU 113 1HD1 LEU 113 11.735 5.640 19.974 943 HD12 LEU 113 2HD1 LEU 113 11.430 3.927 19.686 944 HD13 LEU 113 3HD1 LEU 113 13.034 4.465 20.182 945 HD21 LEU 113 3HD2 LEU 113 11.001 2.402 21.781 946 HD22 LEU 113 1HD2 LEU 113 11.761 2.966 23.270 947 HD23 LEU 113 2HD2 LEU 113 12.745 2.668 21.837 948 H LYS 114 H LYS 114 14.489 6.024 25.009 949 HA LYS 114 HA LYS 114 15.085 8.725 24.305 950 HB2 LYS 114 2HB LYS 114 15.827 7.306 26.864 951 HB3 LYS 114 3HB LYS 114 15.627 9.036 26.623 952 HG2 LYS 114 2HG LYS 114 13.187 8.270 25.918 953 HG3 LYS 114 3HG LYS 114 13.588 6.918 26.979 954 HD2 LYS 114 2HD LYS 114 12.529 8.544 28.339 955 HD3 LYS 114 3HD LYS 114 14.253 8.632 28.711 956 HE2 LYS 114 2HE LYS 114 13.759 10.859 28.480 957 HE3 LYS 114 3HE LYS 114 14.238 10.464 26.830 958 HZ1 LYS 114 3HZ LYS 114 11.909 11.644 27.551 959 HZ2 LYS 114 1HZ LYS 114 11.444 10.031 27.335 960 HZ3 LYS 114 2HZ LYS 114 12.196 10.871 26.074 961 H GLU 115 H GLU 115 17.002 5.841 24.949 962 HA GLU 115 HA GLU 115 19.525 7.118 25.012 963 HB2 GLU 115 2HB GLU 115 18.662 4.280 24.500 964 HB3 GLU 115 3HB GLU 115 20.353 4.757 24.423 965 HG2 GLU 115 2HG GLU 115 20.114 5.631 26.760 966 HG3 GLU 115 3HG GLU 115 18.521 4.878 26.801 967 H ARG 116 H ARG 116 17.838 5.355 22.418 968 HA ARG 116 HA ARG 116 19.832 6.028 20.467 969 HB2 ARG 116 2HB ARG 116 17.052 4.992 19.921 970 HB3 ARG 116 3HB ARG 116 18.479 4.840 18.903 971 HG2 ARG 116 2HG ARG 116 18.009 3.489 21.552 972 HG3 ARG 116 3HG ARG 116 17.998 2.731 19.958 973 HD2 ARG 116 2HD ARG 116 20.358 4.030 21.313 974 HD3 ARG 116 3HD ARG 116 20.103 2.300 21.085 975 HE ARG 116 HE ARG 116 20.037 3.583 18.586 976 HH11 ARG 116 1HH1 ARG 116 22.270 2.755 21.125 977 HH12 ARG 116 2HH1 ARG 116 23.638 2.654 20.068 978 HH21 ARG 116 1HH2 ARG 116 21.831 3.454 17.183 979 HH22 ARG 116 2HH2 ARG 116 23.388 3.053 17.826 980 H ASN 117 H ASN 117 17.096 7.585 21.762 981 HA ASN 117 HA ASN 117 16.001 9.516 21.265 982 HB2 ASN 117 2HB ASN 117 18.511 10.196 21.146 983 HB3 ASN 117 3HB ASN 117 18.240 10.265 19.408 984 HD21 ASN 117 1HD2 ASN 117 16.936 11.440 22.477 985 HD22 ASN 117 2HD2 ASN 117 16.427 12.977 21.873 986 H ILE 118 H ILE 118 15.091 7.408 19.826 987 HA ILE 118 HA ILE 118 15.067 7.851 17.015 988 HB ILE 118 HB ILE 118 13.009 6.318 18.600 989 HG12 ILE 118 2HG1 ILE 118 15.267 5.562 19.212 990 HG13 ILE 118 3HG1 ILE 118 14.421 4.340 18.270 991 HG21 ILE 118 1HG2 ILE 118 12.122 6.135 16.555 992 HG22 ILE 118 2HG2 ILE 118 13.594 6.697 15.765 993 HG23 ILE 118 3HG2 ILE 118 13.439 5.006 16.239 994 HD11 ILE 118 3HD1 ILE 118 16.788 4.607 17.643 995 HD12 ILE 118 1HD1 ILE 118 15.677 4.914 16.308 996 HD13 ILE 118 2HD1 ILE 118 16.441 6.264 17.148 997 H PHE 119 H PHE 119 12.305 8.007 19.265 998 HA PHE 119 HA PHE 119 10.897 9.786 17.487 999 HB2 PHE 119 2HB PHE 119 10.111 8.930 20.277 1000 HB3 PHE 119 3HB PHE 119 9.057 9.598 19.035 1001 HD1 PHE 119 HD2 PHE 119 9.825 8.080 16.667 1002 HD2 PHE 119 HD1 PHE 119 9.334 6.797 20.696 1003 HE1 PHE 119 HE2 PHE 119 9.316 5.806 15.878 1004 HE2 PHE 119 HE1 PHE 119 8.825 4.521 19.913 1005 HZ PHE 119 HZ PHE 119 8.814 4.023 17.501 1006 H SER 120 H SER 120 9.886 11.803 18.336 1007 HA SER 120 HA SER 120 11.937 13.415 19.617 1008 HB2 SER 120 2HB SER 120 9.327 14.121 18.264 1009 HB3 SER 120 3HB SER 120 10.373 15.315 19.033 1010 HG SER 120 HG SER 120 11.440 15.325 17.235 1011 H LYS 121 H LYS 121 10.788 15.312 20.995 1012 HA LYS 121 HA LYS 121 10.039 14.091 23.429 1013 HB2 LYS 121 2HB LYS 121 11.118 16.431 22.923 1014 HB3 LYS 121 3HB LYS 121 9.445 16.971 22.864 1015 HG2 LYS 121 2HG LYS 121 9.112 16.647 25.098 1016 HG3 LYS 121 3HG LYS 121 10.322 15.366 25.205 1017 HD2 LYS 121 2HD LYS 121 11.470 17.033 26.253 1018 HD3 LYS 121 3HD LYS 121 11.947 17.374 24.588 1019 HE2 LYS 121 2HE LYS 121 11.315 19.449 25.517 1020 HE3 LYS 121 3HE LYS 121 9.972 18.953 24.488 1021 HZ1 LYS 121 3HZ LYS 121 8.909 19.615 26.398 1022 HZ2 LYS 121 1HZ LYS 121 10.123 19.038 27.424 1023 HZ3 LYS 121 2HZ LYS 121 9.062 17.954 26.676 1024 H GLN 122 H GLN 122 8.183 15.754 20.920 1025 HA GLN 122 HA GLN 122 5.716 15.861 22.217 1026 HB2 GLN 122 2HB GLN 122 6.464 15.673 19.307 1027 HB3 GLN 122 3HB GLN 122 4.787 15.780 19.825 1028 HG2 GLN 122 2HG GLN 122 5.192 17.914 20.860 1029 HG3 GLN 122 3HG GLN 122 6.914 17.797 20.500 1030 HE21 GLN 122 1HE2 GLN 122 3.841 17.472 18.746 1031 HE22 GLN 122 2HE2 GLN 122 4.314 18.443 17.397 1032 H VAL 123 H VAL 123 7.307 13.231 20.538 1033 HA VAL 123 HA VAL 123 4.986 11.531 20.521 1034 HB VAL 123 HB VAL 123 7.890 10.848 20.037 1035 HG11 VAL 123 1HG1 VAL 123 5.354 9.271 19.695 1036 HG12 VAL 123 2HG1 VAL 123 6.841 8.870 18.833 1037 HG13 VAL 123 3HG1 VAL 123 6.805 8.834 20.597 1038 HG21 VAL 123 3HG2 VAL 123 5.676 11.319 18.043 1039 HG22 VAL 123 1HG2 VAL 123 6.922 12.497 18.456 1040 HG23 VAL 123 2HG2 VAL 123 7.369 10.973 17.688 1041 H VAL 124 H VAL 124 8.093 11.486 22.269 1042 HA VAL 124 HA VAL 124 7.576 9.312 23.922 1043 HB VAL 124 HB VAL 124 9.215 11.767 24.565 1044 HG11 VAL 124 1HG1 VAL 124 10.224 9.424 25.796 1045 HG12 VAL 124 2HG1 VAL 124 9.581 10.877 26.565 1046 HG13 VAL 124 3HG1 VAL 124 8.506 9.533 26.178 1047 HG21 VAL 124 3HG2 VAL 124 9.766 10.415 22.470 1048 HG22 VAL 124 1HG2 VAL 124 11.069 10.674 23.631 1049 HG23 VAL 124 2HG2 VAL 124 10.234 9.121 23.573 1050 H ASN 125 H ASN 125 7.023 12.769 24.568 1051 HA ASN 125 HA ASN 125 5.984 12.535 27.135 1052 HB2 ASN 125 2HB ASN 125 5.713 14.544 24.944 1053 HB3 ASN 125 3HB ASN 125 4.624 14.666 26.322 1054 HD21 ASN 125 1HD2 ASN 125 8.051 13.818 25.958 1055 HD22 ASN 125 2HD2 ASN 125 8.633 14.980 27.097 1056 H ASP 126 H ASP 126 4.518 11.880 24.049 1057 HA ASP 126 HA ASP 126 1.818 11.841 25.001 1058 HB2 ASP 126 2HB ASP 126 3.214 11.312 22.464 1059 HB3 ASP 126 3HB ASP 126 1.772 10.334 22.720 1060 H ILE 127 H ILE 127 4.303 9.402 24.392 1061 HA ILE 127 HA ILE 127 2.812 7.096 24.748 1062 HB ILE 127 HB ILE 127 5.666 7.577 25.612 1063 HG12 ILE 127 2HG1 ILE 127 4.783 6.206 23.088 1064 HG13 ILE 127 3HG1 ILE 127 4.920 7.959 23.151 1065 HG21 ILE 127 1HG2 ILE 127 5.480 5.553 26.538 1066 HG22 ILE 127 2HG2 ILE 127 3.933 5.241 25.752 1067 HG23 ILE 127 3HG2 ILE 127 5.439 4.938 24.886 1068 HD11 ILE 127 3HD1 ILE 127 7.002 5.901 23.053 1069 HD12 ILE 127 1HD1 ILE 127 7.014 7.566 22.470 1070 HD13 ILE 127 2HD1 ILE 127 7.310 7.226 24.175 1071 H GLU 128 H GLU 128 4.362 9.147 27.186 1072 HA GLU 128 HA GLU 128 3.795 7.528 29.415 1073 HB2 GLU 128 2HB GLU 128 4.057 10.538 29.361 1074 HB3 GLU 128 3HB GLU 128 4.266 9.493 30.759 1075 HG2 GLU 128 2HG GLU 128 6.137 8.391 29.367 1076 HG3 GLU 128 3HG GLU 128 6.056 9.859 28.395 1077 H ARG 129 H ARG 129 2.027 10.267 28.006 1078 HA ARG 129 HA ARG 129 -0.032 10.447 29.857 1079 HB2 ARG 129 2HB ARG 129 -0.107 10.934 26.875 1080 HB3 ARG 129 3HB ARG 129 -1.368 11.430 27.996 1081 HG2 ARG 129 2HG ARG 129 0.808 12.537 29.162 1082 HG3 ARG 129 3HG ARG 129 1.258 12.619 27.458 1083 HD2 ARG 129 2HD ARG 129 -0.553 13.972 26.917 1084 HD3 ARG 129 3HD ARG 129 -1.454 13.506 28.359 1085 HE ARG 129 HE ARG 129 0.925 14.867 29.067 1086 HH11 ARG 129 1HH1 ARG 129 -2.260 15.399 27.766 1087 HH12 ARG 129 2HH1 ARG 129 -2.367 17.028 28.347 1088 HH21 ARG 129 1HH2 ARG 129 0.796 17.010 29.836 1089 HH22 ARG 129 2HH2 ARG 129 -0.628 17.944 29.523 1090 H SER 130 H SER 130 0.240 8.380 26.995 1091 HA SER 130 HA SER 130 -2.293 7.287 26.931 1092 HB2 SER 130 2HB SER 130 -1.418 5.614 25.563 1093 HB3 SER 130 3HB SER 130 -0.225 6.901 25.382 1094 HG SER 130 HG SER 130 1.192 5.576 26.156 1095 H LEU 131 H LEU 131 0.467 6.345 28.928 1096 HA LEU 131 HA LEU 131 -0.908 4.134 30.135 1097 HB2 LEU 131 2HB LEU 131 1.494 5.455 31.329 1098 HB3 LEU 131 3HB LEU 131 1.034 3.753 31.348 1099 HG LEU 131 HG LEU 131 2.196 5.302 29.037 1100 HD11 LEU 131 1HD1 LEU 131 3.245 2.930 30.572 1101 HD12 LEU 131 2HD1 LEU 131 3.777 4.598 30.789 1102 HD13 LEU 131 3HD1 LEU 131 4.055 3.777 29.254 1103 HD21 LEU 131 3HD2 LEU 131 2.089 3.219 27.780 1104 HD22 LEU 131 1HD2 LEU 131 0.474 3.752 28.248 1105 HD23 LEU 131 2HD2 LEU 131 1.256 2.436 29.125 1106 H ALA 132 H ALA 132 -0.353 7.505 30.912 1107 HA ALA 132 HA ALA 132 -1.069 7.492 33.613 1108 HB1 ALA 132 1HB ALA 132 -0.074 9.451 32.792 1109 HB2 ALA 132 2HB ALA 132 -1.251 9.606 31.488 1110 HB3 ALA 132 3HB ALA 132 -1.738 9.908 33.156 1111 H ALA 133 H ALA 133 -3.031 7.454 30.713 1112 HA ALA 133 HA ALA 133 -5.499 8.072 32.003 1113 HB1 ALA 133 1HB ALA 133 -6.193 8.272 29.906 1114 HB2 ALA 133 2HB ALA 133 -4.609 7.723 29.356 1115 HB3 ALA 133 3HB ALA 133 -5.906 6.557 29.613 1116 H ALA 134 H ALA 134 -3.713 5.135 31.363 1117 HA ALA 134 HA ALA 134 -5.823 3.306 31.853 1118 HB1 ALA 134 1HB ALA 134 -3.973 1.654 32.170 1119 HB2 ALA 134 2HB ALA 134 -3.905 2.550 30.652 1120 HB3 ALA 134 3HB ALA 134 -2.831 2.985 31.982 1121 H LEU 135 H LEU 135 -3.821 5.202 33.915 1122 HA LEU 135 HA LEU 135 -3.695 3.724 36.241 1123 HB2 LEU 135 2HB LEU 135 -2.908 6.172 35.585 1124 HB3 LEU 135 3HB LEU 135 -4.371 6.608 36.465 1125 HG LEU 135 HG LEU 135 -2.430 6.753 37.909 1126 HD11 LEU 135 1HD1 LEU 135 -3.828 4.284 38.831 1127 HD12 LEU 135 2HD1 LEU 135 -4.734 5.784 38.643 1128 HD13 LEU 135 3HD1 LEU 135 -3.357 5.718 39.743 1129 HD21 LEU 135 3HD2 LEU 135 -2.040 3.795 37.508 1130 HD22 LEU 135 1HD2 LEU 135 -1.013 4.915 38.403 1131 HD23 LEU 135 2HD2 LEU 135 -1.110 5.022 36.645 1132 H GLU 136 H GLU 136 -6.398 5.544 34.919 1133 HA GLU 136 HA GLU 136 -8.579 5.742 35.549 1134 HB2 GLU 136 2HB GLU 136 -7.898 2.941 36.408 1135 HB3 GLU 136 3HB GLU 136 -9.514 3.595 36.634 1136 HG2 GLU 136 2HG GLU 136 -8.316 3.835 33.938 1137 HG3 GLU 136 3HG GLU 136 -8.809 2.230 34.473 1138 H HIS 137 H HIS 137 -6.868 7.027 37.285 1139 HA HIS 137 HA HIS 137 -7.010 6.423 39.976 1140 HB2 HIS 137 2HB HIS 137 -5.797 8.362 38.725 1141 HB3 HIS 137 3HB HIS 137 -7.275 9.264 39.044 1142 HD1 HIS 137 HD1 HIS 137 -7.726 8.025 41.937 1143 HD2 HIS 137 HD2 HIS 137 -4.226 9.758 40.520 1144 HE1 HIS 137 HE1 HIS 137 -6.473 8.778 43.983 1145 H HIS 138 H HIS 138 -8.648 6.187 41.335 1146 HA HIS 138 HA HIS 138 -11.319 6.926 40.580 1147 HB2 HIS 138 2HB HIS 138 -10.612 4.850 41.910 1148 HB3 HIS 138 3HB HIS 138 -10.472 5.928 43.295 1149 HD1 HIS 138 HD1 HIS 138 -12.472 5.720 44.714 1150 HD2 HIS 138 HD2 HIS 138 -13.419 5.420 40.680 1151 HE1 HIS 138 HE1 HIS 138 -14.970 5.440 44.628 Start of MODEL 12 1 H ALA 2 H ALA 2 6.910 -2.627 -6.645 2 HA ALA 2 HA ALA 2 5.080 -2.014 -4.523 3 HB1 ALA 2 1HB ALA 2 4.029 -4.232 -5.347 4 HB2 ALA 2 2HB ALA 2 4.007 -2.824 -6.410 5 HB3 ALA 2 3HB ALA 2 5.196 -4.102 -6.663 6 H PHE 3 H PHE 3 4.411 -3.537 -2.872 7 HA PHE 3 HA PHE 3 6.504 -5.444 -2.081 8 HB2 PHE 3 2HB PHE 3 6.442 -4.708 0.194 9 HB3 PHE 3 3HB PHE 3 6.671 -3.277 -0.806 10 HD1 PHE 3 HD2 PHE 3 4.561 -1.926 -1.398 11 HD2 PHE 3 HD1 PHE 3 4.741 -4.774 1.760 12 HE1 PHE 3 HE2 PHE 3 2.602 -0.875 -0.343 13 HE2 PHE 3 HE1 PHE 3 2.782 -3.728 2.820 14 HZ PHE 3 HZ PHE 3 1.710 -1.776 1.769 15 H SER 4 H SER 4 5.596 -6.727 -0.054 16 HA SER 4 HA SER 4 2.902 -7.643 -0.816 17 HB2 SER 4 2HB SER 4 5.115 -9.147 -0.912 18 HB3 SER 4 3HB SER 4 4.693 -9.405 0.781 19 HG SER 4 HG SER 4 3.754 -10.837 -0.971 20 H SER 5 H SER 5 1.675 -6.392 0.545 21 HA SER 5 HA SER 5 2.252 -5.855 3.242 22 HB2 SER 5 2HB SER 5 -0.371 -5.541 3.289 23 HB3 SER 5 3HB SER 5 0.653 -4.415 2.398 24 HG SER 5 HG SER 5 -0.294 -6.687 1.071 25 H GLU 6 H GLU 6 0.908 -8.627 1.680 26 HA GLU 6 HA GLU 6 -0.429 -9.744 3.923 27 HB2 GLU 6 2HB GLU 6 -0.429 -11.832 2.622 28 HB3 GLU 6 3HB GLU 6 -0.959 -10.460 1.658 29 HG2 GLU 6 2HG GLU 6 1.248 -10.322 0.629 30 HG3 GLU 6 3HG GLU 6 1.787 -11.691 1.600 31 H GLN 7 H GLN 7 2.868 -9.802 2.782 32 HA GLN 7 HA GLN 7 3.780 -11.993 4.315 33 HB2 GLN 7 2HB GLN 7 4.984 -9.833 2.728 34 HB3 GLN 7 3HB GLN 7 5.990 -10.400 4.054 35 HG2 GLN 7 2HG GLN 7 4.736 -12.306 2.112 36 HG3 GLN 7 3HG GLN 7 6.270 -11.506 1.770 37 HE21 GLN 7 1HE2 GLN 7 6.154 -14.217 1.885 38 HE22 GLN 7 2HE2 GLN 7 6.974 -14.788 3.294 39 H PHE 8 H PHE 8 3.843 -8.490 4.916 40 HA PHE 8 HA PHE 8 5.156 -8.539 7.373 41 HB2 PHE 8 2HB PHE 8 4.748 -6.470 6.128 42 HB3 PHE 8 3HB PHE 8 3.018 -6.622 6.420 43 HD1 PHE 8 HD2 PHE 8 6.239 -6.436 8.285 44 HD2 PHE 8 HD1 PHE 8 2.092 -5.486 8.190 45 HE1 PHE 8 HE2 PHE 8 6.486 -5.163 10.376 46 HE2 PHE 8 HE1 PHE 8 2.332 -4.210 10.280 47 HZ PHE 8 HZ PHE 8 4.532 -4.048 11.377 48 H THR 9 H THR 9 1.705 -8.812 6.633 49 HA THR 9 HA THR 9 0.876 -8.938 9.357 50 HB THR 9 HB THR 9 -0.811 -10.183 7.246 51 HG1 THR 9 HG1 THR 9 -1.379 -8.029 6.529 52 HG21 THR 9 3HG2 THR 9 -1.147 -9.090 9.838 53 HG22 THR 9 1HG2 THR 9 -2.372 -9.799 8.787 54 HG23 THR 9 2HG2 THR 9 -2.042 -8.068 8.713 55 H THR 10 H THR 10 1.204 -11.409 6.812 56 HA THR 10 HA THR 10 0.481 -13.626 8.333 57 HB THR 10 HB THR 10 2.475 -13.506 6.061 58 HG1 THR 10 HG1 THR 10 -0.171 -14.424 5.812 59 HG21 THR 10 3HG2 THR 10 2.817 -15.588 7.105 60 HG22 THR 10 1HG2 THR 10 1.706 -15.927 5.778 61 HG23 THR 10 2HG2 THR 10 1.097 -15.803 7.429 62 H LYS 11 H LYS 11 3.535 -11.918 8.114 63 HA LYS 11 HA LYS 11 5.039 -13.898 9.540 64 HB2 LYS 11 2HB LYS 11 5.568 -11.075 8.661 65 HB3 LYS 11 3HB LYS 11 6.679 -11.895 9.750 66 HG2 LYS 11 2HG LYS 11 5.863 -12.963 7.058 67 HG3 LYS 11 3HG LYS 11 7.318 -12.008 7.352 68 HD2 LYS 11 2HD LYS 11 8.126 -13.701 8.913 69 HD3 LYS 11 3HD LYS 11 6.658 -14.648 8.659 70 HE2 LYS 11 2HE LYS 11 8.418 -13.886 6.356 71 HE3 LYS 11 3HE LYS 11 8.800 -15.284 7.361 72 HZ1 LYS 11 3HZ LYS 11 6.888 -15.056 5.290 73 HZ2 LYS 11 1HZ LYS 11 6.115 -15.488 6.732 74 HZ3 LYS 11 2HZ LYS 11 7.382 -16.436 6.134 75 H LEU 12 H LEU 12 3.582 -10.770 10.367 76 HA LEU 12 HA LEU 12 4.466 -10.490 12.962 77 HB2 LEU 12 2HB LEU 12 1.974 -9.677 11.542 78 HB3 LEU 12 3HB LEU 12 2.083 -9.440 13.285 79 HG LEU 12 HG LEU 12 4.065 -8.308 11.315 80 HD11 LEU 12 1HD1 LEU 12 1.491 -7.216 12.376 81 HD12 LEU 12 2HD1 LEU 12 2.133 -7.174 10.734 82 HD13 LEU 12 3HD1 LEU 12 2.828 -6.137 11.979 83 HD21 LEU 12 3HD2 LEU 12 4.155 -8.621 14.089 84 HD22 LEU 12 1HD2 LEU 12 3.747 -6.926 13.821 85 HD23 LEU 12 2HD2 LEU 12 5.201 -7.608 13.091 86 H ASN 13 H ASN 13 1.833 -12.480 11.731 87 HA ASN 13 HA ASN 13 0.900 -13.266 14.322 88 HB2 ASN 13 2HB ASN 13 0.385 -14.387 11.561 89 HB3 ASN 13 3HB ASN 13 -0.405 -14.977 13.020 90 HD21 ASN 13 1HD2 ASN 13 -0.841 -13.081 10.439 91 HD22 ASN 13 2HD2 ASN 13 -1.980 -11.946 11.072 92 H THR 14 H THR 14 3.161 -14.542 11.968 93 HA THR 14 HA THR 14 3.569 -16.960 13.557 94 HB THR 14 HB THR 14 5.080 -17.659 11.712 95 HG1 THR 14 HG1 THR 14 5.708 -16.197 10.328 96 HG21 THR 14 3HG2 THR 14 2.796 -17.028 10.077 97 HG22 THR 14 1HG2 THR 14 2.281 -17.480 11.702 98 HG23 THR 14 2HG2 THR 14 3.287 -18.579 10.758 99 H LEU 15 H LEU 15 4.437 -14.144 14.297 100 HA LEU 15 HA LEU 15 7.300 -14.167 14.197 101 HB2 LEU 15 2HB LEU 15 5.193 -12.428 15.300 102 HB3 LEU 15 3HB LEU 15 6.735 -12.391 16.152 103 HG LEU 15 HG LEU 15 6.323 -11.780 13.226 104 HD11 LEU 15 1HD1 LEU 15 5.591 -10.173 15.226 105 HD12 LEU 15 2HD1 LEU 15 6.286 -9.572 13.721 106 HD13 LEU 15 3HD1 LEU 15 7.304 -9.759 15.149 107 HD21 LEU 15 3HD2 LEU 15 8.772 -10.805 13.974 108 HD22 LEU 15 1HD2 LEU 15 8.492 -12.301 13.083 109 HD23 LEU 15 2HD2 LEU 15 8.692 -12.343 14.835 110 H GLU 16 H GLU 16 8.743 -14.837 15.699 111 HA GLU 16 HA GLU 16 7.681 -15.944 18.212 112 HB2 GLU 16 2HB GLU 16 9.358 -17.234 16.136 113 HB3 GLU 16 3HB GLU 16 9.810 -17.543 17.807 114 HG2 GLU 16 2HG GLU 16 7.549 -18.348 18.269 115 HG3 GLU 16 3HG GLU 16 7.104 -18.048 16.590 116 H ASP 17 H ASP 17 9.299 -16.132 19.936 117 HA ASP 17 HA ASP 17 10.873 -13.740 20.107 118 HB2 ASP 17 2HB ASP 17 11.510 -14.716 22.370 119 HB3 ASP 17 3HB ASP 17 9.796 -14.402 22.112 120 H SER 18 H SER 18 12.457 -13.975 18.501 121 HA SER 18 HA SER 18 14.712 -15.636 19.322 122 HB2 SER 18 2HB SER 18 13.152 -15.984 16.825 123 HB3 SER 18 3HB SER 18 14.907 -16.018 16.655 124 HG SER 18 HG SER 18 14.576 -17.521 18.656 125 H GLN 19 H GLN 19 16.527 -14.490 19.283 126 HA GLN 19 HA GLN 19 16.681 -11.813 18.632 127 HB2 GLN 19 2HB GLN 19 18.318 -13.045 20.035 128 HB3 GLN 19 3HB GLN 19 18.968 -13.789 18.580 129 HG2 GLN 19 2HG GLN 19 20.357 -11.942 19.301 130 HG3 GLN 19 3HG GLN 19 19.616 -11.595 17.739 131 HE21 GLN 19 1HE2 GLN 19 18.219 -9.909 17.545 132 HE22 GLN 19 2HE2 GLN 19 17.886 -8.789 18.817 133 H GLU 20 H GLU 20 17.328 -14.624 16.614 134 HA GLU 20 HA GLU 20 18.352 -13.100 14.414 135 HB2 GLU 20 2HB GLU 20 17.344 -15.947 14.545 136 HB3 GLU 20 3HB GLU 20 18.164 -15.233 13.163 137 HG2 GLU 20 2HG GLU 20 20.197 -15.049 14.330 138 HG3 GLU 20 3HG GLU 20 19.422 -15.355 15.883 139 H SER 21 H SER 21 15.237 -14.532 15.258 140 HA SER 21 HA SER 21 13.905 -14.102 12.841 141 HB2 SER 21 2HB SER 21 12.840 -14.144 15.673 142 HB3 SER 21 3HB SER 21 11.819 -14.147 14.235 143 HG SER 21 HG SER 21 13.851 -16.065 14.484 144 H ILE 22 H ILE 22 14.073 -12.030 15.728 145 HA ILE 22 HA ILE 22 12.486 -9.938 14.827 146 HB ILE 22 HB ILE 22 14.925 -9.749 16.599 147 HG12 ILE 22 2HG1 ILE 22 13.194 -11.342 17.392 148 HG13 ILE 22 3HG1 ILE 22 13.372 -9.950 18.456 149 HG21 ILE 22 1HG2 ILE 22 14.340 -7.567 15.802 150 HG22 ILE 22 2HG2 ILE 22 12.634 -7.845 16.151 151 HG23 ILE 22 3HG2 ILE 22 13.793 -7.710 17.473 152 HD11 ILE 22 3HD1 ILE 22 11.355 -9.510 16.431 153 HD12 ILE 22 1HD1 ILE 22 11.020 -10.938 17.410 154 HD13 ILE 22 2HD1 ILE 22 11.250 -9.371 18.186 155 H SER 23 H SER 23 15.926 -10.546 14.301 156 HA SER 23 HA SER 23 16.382 -8.080 12.921 157 HB2 SER 23 2HB SER 23 18.307 -8.980 13.924 158 HB3 SER 23 3HB SER 23 17.984 -10.599 13.306 159 HG SER 23 HG SER 23 19.521 -9.857 11.973 160 H SER 24 H SER 24 15.451 -11.320 12.013 161 HA SER 24 HA SER 24 16.031 -11.236 9.278 162 HB2 SER 24 2HB SER 24 14.205 -12.814 11.012 163 HB3 SER 24 3HB SER 24 13.862 -12.820 9.282 164 HG SER 24 HG SER 24 16.224 -13.326 9.107 165 H ALA 25 H ALA 25 13.025 -10.400 10.988 166 HA ALA 25 HA ALA 25 11.717 -9.484 8.612 167 HB1 ALA 25 1HB ALA 25 10.488 -10.398 10.544 168 HB2 ALA 25 2HB ALA 25 10.967 -8.989 11.490 169 HB3 ALA 25 3HB ALA 25 9.926 -8.792 10.080 170 H SER 26 H SER 26 13.532 -7.983 11.219 171 HA SER 26 HA SER 26 12.875 -5.319 10.844 172 HB2 SER 26 2HB SER 26 14.288 -6.170 12.696 173 HB3 SER 26 3HB SER 26 15.607 -6.417 11.552 174 HG SER 26 HG SER 26 14.995 -4.209 12.860 175 H LYS 27 H LYS 27 15.442 -7.197 9.257 176 HA LYS 27 HA LYS 27 16.465 -5.134 7.664 177 HB2 LYS 27 2HB LYS 27 16.560 -8.099 7.625 178 HB3 LYS 27 3HB LYS 27 16.958 -7.281 6.120 179 HG2 LYS 27 2HG LYS 27 19.012 -7.542 7.162 180 HG3 LYS 27 3HG LYS 27 18.568 -5.877 7.543 181 HD2 LYS 27 2HD LYS 27 17.635 -6.734 9.716 182 HD3 LYS 27 3HD LYS 27 18.367 -8.294 9.332 183 HE2 LYS 27 2HE LYS 27 20.015 -5.797 9.293 184 HE3 LYS 27 3HE LYS 27 19.658 -6.602 10.821 185 HZ1 LYS 27 3HZ LYS 27 21.601 -7.271 8.911 186 HZ2 LYS 27 1HZ LYS 27 20.496 -8.548 9.006 187 HZ3 LYS 27 2HZ LYS 27 21.291 -8.013 10.399 188 H TRP 28 H TRP 28 13.768 -7.336 7.162 189 HA TRP 28 HA TRP 28 13.302 -6.764 4.446 190 HB2 TRP 28 2HB TRP 28 12.317 -8.674 5.767 191 HB3 TRP 28 3HB TRP 28 11.208 -7.513 6.492 192 HD1 TRP 28 HD1 TRP 28 12.219 -8.219 2.797 193 HE1 TRP 28 HE1 TRP 28 10.055 -8.400 1.416 194 HE3 TRP 28 HE3 TRP 28 8.806 -7.516 6.539 195 HZ2 TRP 28 HZ2 TRP 28 7.270 -8.262 1.854 196 HZ3 TRP 28 HZ3 TRP 28 6.412 -7.554 5.974 197 HH2 TRP 28 HH2 TRP 28 5.661 -7.920 3.679 198 H LEU 29 H LEU 29 11.737 -5.448 7.367 199 HA LEU 29 HA LEU 29 10.155 -3.558 5.996 200 HB2 LEU 29 2HB LEU 29 11.090 -3.789 8.838 201 HB3 LEU 29 3HB LEU 29 10.110 -2.428 8.296 202 HG LEU 29 HG LEU 29 9.064 -5.139 7.720 203 HD11 LEU 29 1HD1 LEU 29 10.058 -5.012 10.136 204 HD12 LEU 29 2HD1 LEU 29 8.457 -5.699 9.861 205 HD13 LEU 29 3HD1 LEU 29 8.617 -4.048 10.458 206 HD21 LEU 29 3HD2 LEU 29 8.110 -2.601 7.480 207 HD22 LEU 29 1HD2 LEU 29 7.415 -3.097 9.023 208 HD23 LEU 29 2HD2 LEU 29 7.109 -4.051 7.571 209 H LEU 30 H LEU 30 13.434 -3.481 7.205 210 HA LEU 30 HA LEU 30 13.922 -0.749 7.238 211 HB2 LEU 30 2HB LEU 30 15.407 -2.956 7.691 212 HB3 LEU 30 3HB LEU 30 16.074 -2.441 6.143 213 HG LEU 30 HG LEU 30 17.427 -1.572 7.933 214 HD11 LEU 30 1HD1 LEU 30 16.478 -0.110 5.871 215 HD12 LEU 30 2HD1 LEU 30 17.704 0.456 7.005 216 HD13 LEU 30 3HD1 LEU 30 16.015 0.910 7.234 217 HD21 LEU 30 3HD2 LEU 30 14.863 -0.372 8.969 218 HD22 LEU 30 1HD2 LEU 30 16.473 0.034 9.564 219 HD23 LEU 30 2HD2 LEU 30 15.852 -1.607 9.750 220 H LEU 31 H LEU 31 14.025 -3.023 4.532 221 HA LEU 31 HA LEU 31 14.699 -0.875 2.681 222 HB2 LEU 31 2HB LEU 31 14.186 -3.782 2.086 223 HB3 LEU 31 3HB LEU 31 14.934 -2.595 1.019 224 HG LEU 31 HG LEU 31 16.227 -3.249 3.633 225 HD11 LEU 31 1HD1 LEU 31 15.777 -5.421 2.665 226 HD12 LEU 31 2HD1 LEU 31 17.492 -5.040 2.522 227 HD13 LEU 31 3HD1 LEU 31 16.437 -4.897 1.116 228 HD21 LEU 31 3HD2 LEU 31 18.248 -2.710 2.371 229 HD22 LEU 31 1HD2 LEU 31 17.078 -1.393 2.294 230 HD23 LEU 31 2HD2 LEU 31 17.282 -2.472 0.914 231 H GLN 32 H GLN 32 12.013 -1.419 4.145 232 HA GLN 32 HA GLN 32 10.316 -1.270 1.741 233 HB2 GLN 32 2HB GLN 32 9.678 -2.305 4.505 234 HB3 GLN 32 3HB GLN 32 8.459 -2.015 3.271 235 HG2 GLN 32 2HG GLN 32 10.700 -3.682 2.394 236 HG3 GLN 32 3HG GLN 32 9.727 -4.376 3.689 237 HE21 GLN 32 1HE2 GLN 32 10.055 -4.147 0.429 238 HE22 GLN 32 2HE2 GLN 32 8.443 -4.539 -0.053 239 H TYR 33 H TYR 33 11.724 0.946 2.935 240 HA TYR 33 HA TYR 33 10.109 2.496 4.623 241 HB2 TYR 33 2HB TYR 33 11.433 4.438 3.630 242 HB3 TYR 33 3HB TYR 33 12.367 3.158 4.396 243 HD1 TYR 33 HD2 TYR 33 11.028 4.039 1.016 244 HD2 TYR 33 HD1 TYR 33 14.235 2.397 3.279 245 HE1 TYR 33 HE2 TYR 33 12.338 3.769 -1.048 246 HE2 TYR 33 HE1 TYR 33 15.555 2.124 1.222 247 HH TYR 33 HH TYR 33 15.435 2.108 -1.055 248 H ARG 34 H ARG 34 9.770 1.702 1.321 249 HA ARG 34 HA ARG 34 8.463 3.945 0.296 250 HB2 ARG 34 2HB ARG 34 7.968 1.038 -0.378 251 HB3 ARG 34 3HB ARG 34 7.500 2.417 -1.365 252 HG2 ARG 34 2HG ARG 34 9.675 2.870 -2.000 253 HG3 ARG 34 3HG ARG 34 10.363 2.016 -0.617 254 HD2 ARG 34 2HD ARG 34 9.332 -0.090 -1.663 255 HD3 ARG 34 3HD ARG 34 9.168 0.883 -3.125 256 HE ARG 34 HE ARG 34 11.592 -0.206 -2.030 257 HH11 ARG 34 1HH1 ARG 34 10.222 2.275 -4.051 258 HH12 ARG 34 2HH1 ARG 34 11.675 2.519 -4.962 259 HH21 ARG 34 1HH2 ARG 34 13.512 0.105 -3.221 260 HH22 ARG 34 2HH2 ARG 34 13.546 1.283 -4.489 261 H ASP 35 H ASP 35 7.286 1.310 2.289 262 HA ASP 35 HA ASP 35 4.595 2.498 2.253 263 HB2 ASP 35 2HB ASP 35 4.044 0.236 3.436 264 HB3 ASP 35 3HB ASP 35 4.298 0.264 1.693 265 H ALA 36 H ALA 36 6.247 3.987 3.694 266 HA ALA 36 HA ALA 36 6.717 3.264 6.357 267 HB1 ALA 36 1HB ALA 36 6.280 6.004 6.405 268 HB2 ALA 36 2HB ALA 36 7.820 5.184 6.147 269 HB3 ALA 36 3HB ALA 36 6.841 5.675 4.766 270 HA PRO 37 HA PRO 37 2.567 5.437 7.518 271 HB2 PRO 37 2HB PRO 37 0.917 6.164 5.488 272 HB3 PRO 37 3HB PRO 37 2.172 7.228 6.134 273 HG2 PRO 37 2HG PRO 37 2.222 5.512 3.682 274 HG3 PRO 37 3HG PRO 37 2.799 7.175 3.895 275 HD2 PRO 37 2HD PRO 37 4.467 5.041 3.908 276 HD3 PRO 37 3HD PRO 37 4.772 6.498 4.876 277 H LYS 38 H LYS 38 2.605 3.333 4.705 278 HA LYS 38 HA LYS 38 0.048 2.187 5.043 279 HB2 LYS 38 2HB LYS 38 2.512 1.516 3.530 280 HB3 LYS 38 3HB LYS 38 1.382 0.200 3.820 281 HG2 LYS 38 2HG LYS 38 0.520 2.818 2.633 282 HG3 LYS 38 3HG LYS 38 1.128 1.483 1.650 283 HD2 LYS 38 2HD LYS 38 -0.709 0.173 2.051 284 HD3 LYS 38 3HD LYS 38 -1.033 0.918 3.618 285 HE2 LYS 38 2HE LYS 38 -2.209 2.651 2.704 286 HE3 LYS 38 3HE LYS 38 -1.304 2.610 1.192 287 HZ1 LYS 38 3HZ LYS 38 -2.729 0.206 1.464 288 HZ2 LYS 38 1HZ LYS 38 -2.912 1.412 0.290 289 HZ3 LYS 38 2HZ LYS 38 -3.799 1.489 1.728 290 H VAL 39 H VAL 39 3.267 0.934 5.939 291 HA VAL 39 HA VAL 39 2.292 -1.312 7.343 292 HB VAL 39 HB VAL 39 4.932 0.127 7.633 293 HG11 VAL 39 1HG1 VAL 39 5.296 -2.532 8.297 294 HG12 VAL 39 2HG1 VAL 39 5.234 -1.172 9.420 295 HG13 VAL 39 3HG1 VAL 39 3.775 -2.105 9.081 296 HG21 VAL 39 3HG2 VAL 39 4.488 -0.729 5.373 297 HG22 VAL 39 1HG2 VAL 39 5.804 -1.599 6.161 298 HG23 VAL 39 2HG2 VAL 39 4.205 -2.334 6.046 299 H ALA 40 H ALA 40 3.027 1.983 8.324 300 HA ALA 40 HA ALA 40 2.913 1.593 11.113 301 HB1 ALA 40 1HB ALA 40 2.861 3.895 9.277 302 HB2 ALA 40 2HB ALA 40 2.124 4.159 10.858 303 HB3 ALA 40 3HB ALA 40 3.803 3.630 10.745 304 H GLU 41 H GLU 41 0.427 2.522 8.756 305 HA GLU 41 HA GLU 41 -1.651 2.855 10.649 306 HB2 GLU 41 2HB GLU 41 -1.616 3.749 8.289 307 HB3 GLU 41 3HB GLU 41 -1.972 2.117 7.740 308 HG2 GLU 41 2HG GLU 41 -4.029 2.183 9.164 309 HG3 GLU 41 3HG GLU 41 -3.697 3.891 9.446 310 H MET 42 H MET 42 -0.795 0.153 8.501 311 HA MET 42 HA MET 42 -2.864 -1.569 9.317 312 HB2 MET 42 2HB MET 42 -1.279 -1.754 7.290 313 HB3 MET 42 3HB MET 42 -0.165 -2.534 8.405 314 HG2 MET 42 2HG MET 42 -2.363 -3.971 8.911 315 HG3 MET 42 3HG MET 42 -2.688 -3.518 7.239 316 HE1 MET 42 3HE MET 42 -1.221 -5.692 9.636 317 HE2 MET 42 1HE MET 42 -0.115 -6.774 8.788 318 HE3 MET 42 2HE MET 42 0.467 -5.229 9.409 319 H TRP 43 H TRP 43 0.496 -1.260 10.423 320 HA TRP 43 HA TRP 43 0.464 -3.364 12.271 321 HB2 TRP 43 2HB TRP 43 2.515 -2.200 11.494 322 HB3 TRP 43 3HB TRP 43 2.047 -0.791 12.443 323 HD1 TRP 43 HD1 TRP 43 3.266 -4.412 12.880 324 HE1 TRP 43 HE1 TRP 43 4.264 -4.652 15.240 325 HE3 TRP 43 HE3 TRP 43 2.021 0.177 14.759 326 HZ2 TRP 43 HZ2 TRP 43 4.493 -3.102 17.588 327 HZ3 TRP 43 HZ3 TRP 43 2.666 0.719 17.070 328 HH2 TRP 43 HH2 TRP 43 3.875 -0.888 18.454 329 H LYS 44 H LYS 44 -0.200 0.099 12.730 330 HA LYS 44 HA LYS 44 -0.690 0.025 15.479 331 HB2 LYS 44 2HB LYS 44 -0.396 2.105 14.190 332 HB3 LYS 44 3HB LYS 44 -1.946 1.834 13.405 333 HG2 LYS 44 2HG LYS 44 -2.808 1.773 15.896 334 HG3 LYS 44 3HG LYS 44 -1.347 2.725 16.173 335 HD2 LYS 44 2HD LYS 44 -3.004 4.323 15.758 336 HD3 LYS 44 3HD LYS 44 -2.152 4.176 14.219 337 HE2 LYS 44 2HE LYS 44 -4.355 4.103 13.544 338 HE3 LYS 44 3HE LYS 44 -3.972 2.390 13.696 339 HZ1 LYS 44 3HZ LYS 44 -5.393 2.143 15.389 340 HZ2 LYS 44 1HZ LYS 44 -6.086 3.585 14.837 341 HZ3 LYS 44 2HZ LYS 44 -4.974 3.614 16.112 342 H GLU 45 H GLU 45 -3.121 0.095 12.863 343 HA GLU 45 HA GLU 45 -5.351 -0.384 14.446 344 HB2 GLU 45 2HB GLU 45 -4.705 -0.737 11.566 345 HB3 GLU 45 3HB GLU 45 -6.143 -1.548 12.170 346 HG2 GLU 45 2HG GLU 45 -5.593 1.393 12.474 347 HG3 GLU 45 3HG GLU 45 -6.583 0.683 11.201 348 H TYR 46 H TYR 46 -2.977 -2.608 13.168 349 HA TYR 46 HA TYR 46 -4.465 -4.984 13.705 350 HB2 TYR 46 2HB TYR 46 -2.763 -5.138 12.051 351 HB3 TYR 46 3HB TYR 46 -1.549 -4.463 13.133 352 HD1 TYR 46 HD1 TYR 46 -0.514 -5.836 14.855 353 HD2 TYR 46 HD2 TYR 46 -3.425 -7.467 12.215 354 HE1 TYR 46 HE1 TYR 46 0.153 -8.105 15.531 355 HE2 TYR 46 HE2 TYR 46 -2.767 -9.740 12.885 356 HH TYR 46 HH TYR 46 -1.678 -10.885 14.690 357 H MET 47 H MET 47 -2.036 -3.117 15.452 358 HA MET 47 HA MET 47 -1.786 -4.999 17.593 359 HB2 MET 47 2HB MET 47 -0.975 -2.097 17.363 360 HB3 MET 47 3HB MET 47 -0.585 -3.122 18.738 361 HG2 MET 47 2HG MET 47 0.192 -3.954 15.979 362 HG3 MET 47 3HG MET 47 1.156 -2.771 16.859 363 HE1 MET 47 3HE MET 47 3.216 -4.362 19.133 364 HE2 MET 47 1HE MET 47 2.185 -2.962 18.837 365 HE3 MET 47 2HE MET 47 1.723 -4.155 20.050 366 H LEU 48 H LEU 48 -3.953 -2.428 16.831 367 HA LEU 48 HA LEU 48 -4.965 -2.305 19.573 368 HB2 LEU 48 2HB LEU 48 -5.746 -0.704 17.140 369 HB3 LEU 48 3HB LEU 48 -6.322 -0.434 18.784 370 HG LEU 48 HG LEU 48 -3.477 -0.091 17.837 371 HD11 LEU 48 1HD1 LEU 48 -5.524 1.570 17.286 372 HD12 LEU 48 2HD1 LEU 48 -3.866 2.108 17.549 373 HD13 LEU 48 3HD1 LEU 48 -5.037 2.185 18.865 374 HD21 LEU 48 3HD2 LEU 48 -2.937 -0.251 19.986 375 HD22 LEU 48 1HD2 LEU 48 -4.631 -0.381 20.462 376 HD23 LEU 48 2HD2 LEU 48 -3.887 1.207 20.273 377 H ARG 49 H ARG 49 -5.320 -4.695 17.975 378 HA ARG 49 HA ARG 49 -8.253 -4.689 17.694 379 HB2 ARG 49 2HB ARG 49 -6.100 -5.964 16.094 380 HB3 ARG 49 3HB ARG 49 -7.572 -6.895 16.330 381 HG2 ARG 49 2HG ARG 49 -8.890 -5.302 15.226 382 HG3 ARG 49 3HG ARG 49 -7.629 -4.071 15.325 383 HD2 ARG 49 2HD ARG 49 -6.455 -4.936 13.570 384 HD3 ARG 49 3HD ARG 49 -6.993 -6.586 13.884 385 HE ARG 49 HE ARG 49 -9.127 -4.910 13.001 386 HH11 ARG 49 1HH1 ARG 49 -6.387 -6.768 11.922 387 HH12 ARG 49 2HH1 ARG 49 -7.030 -7.039 10.336 388 HH21 ARG 49 1HH2 ARG 49 -9.984 -5.260 10.916 389 HH22 ARG 49 2HH2 ARG 49 -9.076 -6.180 9.765 390 HA PRO 50 HA PRO 50 -8.503 -7.606 20.972 391 HB2 PRO 50 2HB PRO 50 -10.783 -8.906 20.277 392 HB3 PRO 50 3HB PRO 50 -10.774 -7.260 20.921 393 HG2 PRO 50 2HG PRO 50 -10.983 -8.182 18.081 394 HG3 PRO 50 3HG PRO 50 -11.889 -6.903 18.911 395 HD2 PRO 50 2HD PRO 50 -9.792 -6.379 17.280 396 HD3 PRO 50 3HD PRO 50 -10.177 -5.375 18.692 397 H SER 51 H SER 51 -9.046 -8.915 17.709 398 HA SER 51 HA SER 51 -8.733 -11.603 18.188 399 HB2 SER 51 2HB SER 51 -9.313 -10.585 15.985 400 HB3 SER 51 3HB SER 51 -7.622 -10.123 15.791 401 HG SER 51 HG SER 51 -8.814 -12.531 15.389 402 H VAL 52 H VAL 52 -6.198 -9.182 17.675 403 HA VAL 52 HA VAL 52 -4.012 -10.957 17.723 404 HB VAL 52 HB VAL 52 -4.072 -8.046 18.529 405 HG11 VAL 52 1HG1 VAL 52 -1.688 -8.054 18.072 406 HG12 VAL 52 2HG1 VAL 52 -2.074 -9.247 19.314 407 HG13 VAL 52 3HG1 VAL 52 -1.752 -9.767 17.659 408 HG21 VAL 52 3HG2 VAL 52 -4.631 -7.767 16.371 409 HG22 VAL 52 1HG2 VAL 52 -2.938 -8.150 16.058 410 HG23 VAL 52 2HG2 VAL 52 -4.165 -9.411 15.935 411 H ASN 53 H ASN 53 -3.242 -12.135 19.337 412 HA ASN 53 HA ASN 53 -4.169 -11.757 22.031 413 HB2 ASN 53 2HB ASN 53 -2.384 -13.742 20.661 414 HB3 ASN 53 3HB ASN 53 -2.434 -13.673 22.420 415 HD21 ASN 53 1HD2 ASN 53 -4.772 -13.552 19.748 416 HD22 ASN 53 2HD2 ASN 53 -5.861 -14.709 20.427 417 H THR 54 H THR 54 -2.412 -11.994 23.823 418 HA THR 54 HA THR 54 -0.948 -9.610 23.906 419 HB THR 54 HB THR 54 0.327 -11.024 25.800 420 HG1 THR 54 HG1 THR 54 -0.597 -12.888 26.160 421 HG21 THR 54 3HG2 THR 54 -1.194 -10.124 27.354 422 HG22 THR 54 1HG2 THR 54 -2.544 -10.231 26.224 423 HG23 THR 54 2HG2 THR 54 -1.273 -9.034 25.970 424 H ARG 55 H ARG 55 0.184 -12.955 23.440 425 HA ARG 55 HA ARG 55 2.896 -12.477 23.228 426 HB2 ARG 55 2HB ARG 55 1.053 -14.561 22.182 427 HB3 ARG 55 3HB ARG 55 2.659 -14.481 21.468 428 HG2 ARG 55 2HG ARG 55 3.596 -14.617 23.788 429 HG3 ARG 55 3HG ARG 55 1.956 -14.939 24.355 430 HD2 ARG 55 2HD ARG 55 3.110 -17.029 24.066 431 HD3 ARG 55 3HD ARG 55 1.862 -16.888 22.829 432 HE ARG 55 HE ARG 55 4.235 -15.908 21.750 433 HH11 ARG 55 1HH1 ARG 55 2.934 -18.920 22.915 434 HH12 ARG 55 2HH1 ARG 55 3.909 -19.896 21.868 435 HH21 ARG 55 1HH2 ARG 55 5.524 -17.183 20.366 436 HH22 ARG 55 2HH2 ARG 55 5.383 -18.907 20.419 437 H ARG 56 H ARG 56 0.483 -12.490 20.610 438 HA ARG 56 HA ARG 56 2.158 -11.937 18.478 439 HB2 ARG 56 2HB ARG 56 -0.695 -11.067 18.958 440 HB3 ARG 56 3HB ARG 56 0.135 -10.893 17.417 441 HG2 ARG 56 2HG ARG 56 -0.302 -13.517 18.825 442 HG3 ARG 56 3HG ARG 56 -1.339 -12.877 17.549 443 HD2 ARG 56 2HD ARG 56 0.044 -14.188 16.293 444 HD3 ARG 56 3HD ARG 56 0.960 -12.681 16.265 445 HE ARG 56 HE ARG 56 2.609 -13.714 17.460 446 HH11 ARG 56 1HH1 ARG 56 -0.323 -15.568 17.754 447 HH12 ARG 56 2HH1 ARG 56 0.437 -16.880 18.593 448 HH21 ARG 56 1HH2 ARG 56 3.620 -15.435 18.564 449 HH22 ARG 56 2HH2 ARG 56 2.680 -16.803 19.054 450 H LYS 57 H LYS 57 0.448 -9.627 20.576 451 HA LYS 57 HA LYS 57 1.433 -7.297 19.341 452 HB2 LYS 57 2HB LYS 57 0.505 -7.729 22.186 453 HB3 LYS 57 3HB LYS 57 0.762 -6.158 21.440 454 HG2 LYS 57 2HG LYS 57 -0.927 -7.115 19.655 455 HG3 LYS 57 3HG LYS 57 -1.414 -8.131 21.013 456 HD2 LYS 57 2HD LYS 57 -1.414 -5.831 22.299 457 HD3 LYS 57 3HD LYS 57 -1.621 -5.177 20.672 458 HE2 LYS 57 2HE LYS 57 -3.806 -5.532 21.011 459 HE3 LYS 57 3HE LYS 57 -3.430 -7.226 20.702 460 HZ1 LYS 57 3HZ LYS 57 -4.712 -6.637 22.816 461 HZ2 LYS 57 1HZ LYS 57 -3.227 -6.101 23.423 462 HZ3 LYS 57 2HZ LYS 57 -3.416 -7.715 22.955 463 H LEU 58 H LEU 58 2.596 -9.146 22.136 464 HA LEU 58 HA LEU 58 4.646 -7.509 22.986 465 HB2 LEU 58 2HB LEU 58 3.825 -9.697 23.982 466 HB3 LEU 58 3HB LEU 58 4.889 -10.502 22.830 467 HG LEU 58 HG LEU 58 5.800 -10.261 25.154 468 HD11 LEU 58 1HD1 LEU 58 7.999 -9.880 24.426 469 HD12 LEU 58 2HD1 LEU 58 7.474 -8.796 23.138 470 HD13 LEU 58 3HD1 LEU 58 7.153 -10.526 23.019 471 HD21 LEU 58 3HD2 LEU 58 6.056 -7.355 24.394 472 HD22 LEU 58 1HD2 LEU 58 6.616 -8.119 25.882 473 HD23 LEU 58 2HD2 LEU 58 4.888 -7.991 25.553 474 H LEU 59 H LEU 59 4.902 -10.160 20.613 475 HA LEU 59 HA LEU 59 7.582 -9.692 19.926 476 HB2 LEU 59 2HB LEU 59 5.296 -11.113 18.653 477 HB3 LEU 59 3HB LEU 59 6.750 -10.825 17.700 478 HG LEU 59 HG LEU 59 6.553 -13.083 18.834 479 HD11 LEU 59 1HD1 LEU 59 8.652 -12.443 17.959 480 HD12 LEU 59 2HD1 LEU 59 8.956 -13.014 19.600 481 HD13 LEU 59 3HD1 LEU 59 8.924 -11.283 19.260 482 HD21 LEU 59 3HD2 LEU 59 7.457 -11.669 21.311 483 HD22 LEU 59 1HD2 LEU 59 6.833 -13.307 21.123 484 HD23 LEU 59 2HD2 LEU 59 5.740 -11.928 21.002 485 H GLY 60 H GLY 60 4.563 -8.524 18.472 486 HA2 GLY 60 2HA GLY 60 5.583 -7.223 16.250 487 HA3 GLY 60 3HA GLY 60 4.150 -6.708 17.128 488 H LEU 61 H LEU 61 5.334 -6.021 19.574 489 HA LEU 61 HA LEU 61 6.119 -3.383 19.085 490 HB2 LEU 61 2HB LEU 61 5.216 -4.552 21.231 491 HB3 LEU 61 3HB LEU 61 6.923 -4.813 21.583 492 HG LEU 61 HG LEU 61 7.297 -2.392 21.551 493 HD11 LEU 61 1HD1 LEU 61 4.788 -2.364 20.238 494 HD12 LEU 61 2HD1 LEU 61 5.868 -1.012 20.575 495 HD13 LEU 61 3HD1 LEU 61 4.623 -1.456 21.741 496 HD21 LEU 61 3HD2 LEU 61 5.439 -1.993 23.485 497 HD22 LEU 61 1HD2 LEU 61 6.963 -2.849 23.725 498 HD23 LEU 61 2HD2 LEU 61 5.482 -3.756 23.415 499 H TYR 62 H TYR 62 8.075 -6.210 19.991 500 HA TYR 62 HA TYR 62 10.553 -4.875 20.021 501 HB2 TYR 62 2HB TYR 62 9.689 -7.728 19.862 502 HB3 TYR 62 3HB TYR 62 11.368 -7.341 19.505 503 HD1 TYR 62 HD1 TYR 62 12.533 -5.778 21.301 504 HD2 TYR 62 HD2 TYR 62 9.117 -8.202 22.048 505 HE1 TYR 62 HE1 TYR 62 13.040 -5.740 23.708 506 HE2 TYR 62 HE2 TYR 62 9.613 -8.169 24.457 507 HH TYR 62 HH TYR 62 11.346 -7.757 25.973 508 H LEU 63 H LEU 63 8.670 -6.299 17.446 509 HA LEU 63 HA LEU 63 10.713 -6.402 15.491 510 HB2 LEU 63 2HB LEU 63 8.668 -7.667 15.248 511 HB3 LEU 63 3HB LEU 63 7.721 -6.181 15.209 512 HG LEU 63 HG LEU 63 8.216 -7.461 13.004 513 HD11 LEU 63 1HD1 LEU 63 7.642 -4.806 13.644 514 HD12 LEU 63 2HD1 LEU 63 7.397 -5.611 12.094 515 HD13 LEU 63 3HD1 LEU 63 8.893 -4.730 12.403 516 HD21 LEU 63 3HD2 LEU 63 10.652 -5.746 12.921 517 HD22 LEU 63 1HD2 LEU 63 10.250 -7.183 11.981 518 HD23 LEU 63 2HD2 LEU 63 10.753 -7.343 13.664 519 H MET 64 H MET 64 8.064 -4.055 15.950 520 HA MET 64 HA MET 64 8.952 -2.245 13.991 521 HB2 MET 64 2HB MET 64 7.282 -0.809 14.747 522 HB3 MET 64 3HB MET 64 6.670 -2.392 15.205 523 HG2 MET 64 2HG MET 64 6.307 -1.356 17.166 524 HG3 MET 64 3HG MET 64 7.995 -1.783 17.442 525 HE1 MET 64 3HE MET 64 6.367 0.152 18.949 526 HE2 MET 64 1HE MET 64 7.996 0.655 19.400 527 HE3 MET 64 2HE MET 64 6.835 1.848 18.819 528 H ASN 65 H ASN 65 9.837 -2.702 17.333 529 HA ASN 65 HA ASN 65 11.112 -0.197 17.720 530 HB2 ASN 65 2HB ASN 65 10.356 -1.960 19.473 531 HB3 ASN 65 3HB ASN 65 11.924 -2.702 19.167 532 HD21 ASN 65 1HD2 ASN 65 12.122 -2.202 21.502 533 HD22 ASN 65 2HD2 ASN 65 12.747 -0.653 21.942 534 H HIS 66 H HIS 66 12.327 -3.412 16.827 535 HA HIS 66 HA HIS 66 15.045 -2.648 16.644 536 HB2 HIS 66 2HB HIS 66 13.890 -5.024 16.724 537 HB3 HIS 66 3HB HIS 66 13.957 -4.873 14.971 538 HD1 HIS 66 HD1 HIS 66 16.127 -5.301 17.982 539 HD2 HIS 66 HD2 HIS 66 16.519 -5.043 13.854 540 HE1 HIS 66 HE1 HIS 66 18.486 -6.017 17.484 541 H VAL 67 H VAL 67 12.381 -2.636 14.360 542 HA VAL 67 HA VAL 67 13.914 -2.177 12.024 543 HB VAL 67 HB VAL 67 11.037 -1.447 12.586 544 HG11 VAL 67 1HG1 VAL 67 10.926 -1.650 10.028 545 HG12 VAL 67 2HG1 VAL 67 11.629 -0.184 10.713 546 HG13 VAL 67 3HG1 VAL 67 12.677 -1.451 10.075 547 HG21 VAL 67 3HG2 VAL 67 10.546 -3.603 12.369 548 HG22 VAL 67 1HG2 VAL 67 11.389 -3.671 10.822 549 HG23 VAL 67 2HG2 VAL 67 12.271 -3.965 12.320 550 H VAL 68 H VAL 68 11.974 0.071 14.003 551 HA VAL 68 HA VAL 68 12.784 2.407 12.666 552 HB VAL 68 HB VAL 68 11.922 3.638 14.582 553 HG11 VAL 68 1HG1 VAL 68 10.194 2.997 13.168 554 HG12 VAL 68 2HG1 VAL 68 10.349 1.290 13.591 555 HG13 VAL 68 3HG1 VAL 68 9.648 2.426 14.745 556 HG21 VAL 68 3HG2 VAL 68 12.008 0.952 15.927 557 HG22 VAL 68 1HG2 VAL 68 12.738 2.469 16.452 558 HG23 VAL 68 2HG2 VAL 68 10.988 2.265 16.513 559 H GLN 69 H GLN 69 14.194 0.613 15.328 560 HA GLN 69 HA GLN 69 16.031 2.590 16.172 561 HB2 GLN 69 2HB GLN 69 15.731 -0.347 16.564 562 HB3 GLN 69 3HB GLN 69 17.291 0.374 16.937 563 HG2 GLN 69 2HG GLN 69 16.242 1.893 18.508 564 HG3 GLN 69 3HG GLN 69 14.655 1.241 18.102 565 HE21 GLN 69 1HE2 GLN 69 14.148 0.475 20.099 566 HE22 GLN 69 2HE2 GLN 69 14.987 -0.824 20.869 567 H GLN 70 H GLN 70 16.133 0.118 13.686 568 HA GLN 70 HA GLN 70 18.908 0.263 13.151 569 HB2 GLN 70 2HB GLN 70 16.520 -0.850 11.783 570 HB3 GLN 70 3HB GLN 70 17.939 -0.555 10.788 571 HG2 GLN 70 2HG GLN 70 18.431 -1.967 13.322 572 HG3 GLN 70 3HG GLN 70 17.478 -2.842 12.125 573 HE21 GLN 70 1HE2 GLN 70 20.207 -0.595 11.852 574 HE22 GLN 70 2HE2 GLN 70 21.225 -1.669 10.960 575 H ALA 71 H ALA 71 16.154 2.131 12.081 576 HA ALA 71 HA ALA 71 17.152 3.377 9.825 577 HB1 ALA 71 1HB ALA 71 14.870 3.689 10.479 578 HB2 ALA 71 2HB ALA 71 15.356 4.489 11.974 579 HB3 ALA 71 3HB ALA 71 15.649 5.270 10.420 580 H LYS 72 H LYS 72 17.999 3.863 13.162 581 HA LYS 72 HA LYS 72 19.113 6.398 13.111 582 HB2 LYS 72 2HB LYS 72 19.869 3.924 14.656 583 HB3 LYS 72 3HB LYS 72 20.676 5.466 14.909 584 HG2 LYS 72 2HG LYS 72 17.700 5.132 15.145 585 HG3 LYS 72 3HG LYS 72 18.806 4.906 16.502 586 HD2 LYS 72 2HD LYS 72 18.668 7.422 14.847 587 HD3 LYS 72 3HD LYS 72 17.779 7.186 16.353 588 HE2 LYS 72 2HE LYS 72 19.987 6.710 17.457 589 HE3 LYS 72 3HE LYS 72 20.766 7.229 15.963 590 HZ1 LYS 72 3HZ LYS 72 18.804 9.067 17.044 591 HZ2 LYS 72 1HZ LYS 72 20.330 9.376 16.383 592 HZ3 LYS 72 2HZ LYS 72 20.192 8.865 17.989 593 H GLY 73 H GLY 73 20.417 3.352 11.946 594 HA2 GLY 73 2HA GLY 73 23.050 4.419 11.465 595 HA3 GLY 73 3HA GLY 73 22.451 2.846 10.960 596 H GLN 74 H GLN 74 20.080 4.266 9.705 597 HA GLN 74 HA GLN 74 21.483 5.097 7.254 598 HB2 GLN 74 2HB GLN 74 18.630 4.276 7.148 599 HB3 GLN 74 3HB GLN 74 19.917 4.023 5.977 600 HG2 GLN 74 2HG GLN 74 19.447 2.493 8.522 601 HG3 GLN 74 3HG GLN 74 19.257 1.909 6.869 602 HE21 GLN 74 1HE2 GLN 74 20.920 0.894 9.047 603 HE22 GLN 74 2HE2 GLN 74 22.540 0.894 8.448 604 H LYS 75 H LYS 75 19.392 6.214 5.874 605 HA LYS 75 HA LYS 75 18.801 8.598 7.498 606 HB2 LYS 75 2HB LYS 75 19.037 8.357 4.492 607 HB3 LYS 75 3HB LYS 75 18.706 9.839 5.381 608 HG2 LYS 75 2HG LYS 75 20.908 9.590 6.502 609 HG3 LYS 75 3HG LYS 75 21.234 8.206 5.456 610 HD2 LYS 75 2HD LYS 75 22.266 9.965 4.339 611 HD3 LYS 75 3HD LYS 75 20.706 9.836 3.522 612 HE2 LYS 75 2HE LYS 75 20.011 11.576 5.399 613 HE3 LYS 75 3HE LYS 75 21.735 11.939 5.352 614 HZ1 LYS 75 3HZ LYS 75 19.695 12.337 3.287 615 HZ2 LYS 75 1HZ LYS 75 21.276 11.999 2.791 616 HZ3 LYS 75 2HZ LYS 75 20.964 13.351 3.758 617 H ILE 76 H ILE 76 17.011 6.866 8.100 618 HA ILE 76 HA ILE 76 14.740 7.176 6.257 619 HB ILE 76 HB ILE 76 14.645 5.346 8.616 620 HG12 ILE 76 2HG1 ILE 76 16.772 4.778 7.604 621 HG13 ILE 76 3HG1 ILE 76 15.595 3.533 7.199 622 HG21 ILE 76 1HG2 ILE 76 12.623 5.205 7.616 623 HG22 ILE 76 2HG2 ILE 76 13.242 5.714 6.046 624 HG23 ILE 76 3HG2 ILE 76 13.465 4.049 6.585 625 HD11 ILE 76 3HD1 ILE 76 16.124 3.796 5.073 626 HD12 ILE 76 1HD1 ILE 76 15.474 5.434 5.140 627 HD13 ILE 76 2HD1 ILE 76 17.183 5.149 5.468 628 H ILE 77 H ILE 77 13.416 8.790 6.741 629 HA ILE 77 HA ILE 77 13.033 9.507 9.571 630 HB ILE 77 HB ILE 77 12.516 11.232 7.147 631 HG12 ILE 77 2HG1 ILE 77 14.921 10.763 7.483 632 HG13 ILE 77 3HG1 ILE 77 14.528 12.454 7.777 633 HG21 ILE 77 1HG2 ILE 77 12.634 12.984 9.111 634 HG22 ILE 77 2HG2 ILE 77 11.136 12.137 8.729 635 HG23 ILE 77 3HG2 ILE 77 12.138 11.593 10.074 636 HD11 ILE 77 3HD1 ILE 77 14.354 10.897 10.199 637 HD12 ILE 77 1HD1 ILE 77 15.940 10.752 9.442 638 HD13 ILE 77 2HD1 ILE 77 15.299 12.344 9.850 639 H GLN 78 H GLN 78 11.506 8.296 6.758 640 HA GLN 78 HA GLN 78 8.837 9.074 7.314 641 HB2 GLN 78 2HB GLN 78 9.662 6.596 5.810 642 HB3 GLN 78 3HB GLN 78 8.190 7.539 5.616 643 HG2 GLN 78 2HG GLN 78 10.983 8.313 4.823 644 HG3 GLN 78 3HG GLN 78 9.606 8.001 3.767 645 HE21 GLN 78 1HE2 GLN 78 11.462 10.379 4.806 646 HE22 GLN 78 2HE2 GLN 78 10.338 11.690 4.845 647 H PHE 79 H PHE 79 10.740 6.200 8.111 648 HA PHE 79 HA PHE 79 8.618 4.767 9.324 649 HB2 PHE 79 2HB PHE 79 11.555 4.500 9.127 650 HB3 PHE 79 3HB PHE 79 10.818 3.742 10.536 651 HD1 PHE 79 HD1 PHE 79 8.402 2.587 9.709 652 HD2 PHE 79 HD2 PHE 79 12.009 2.979 7.484 653 HE1 PHE 79 HE1 PHE 79 7.758 0.652 8.332 654 HE2 PHE 79 HE2 PHE 79 11.371 1.045 6.103 655 HZ PHE 79 HZ PHE 79 9.243 -0.121 6.525 656 H GLN 80 H GLN 80 11.123 6.915 10.602 657 HA GLN 80 HA GLN 80 10.658 6.578 13.319 658 HB2 GLN 80 2HB GLN 80 11.622 8.938 11.720 659 HB3 GLN 80 3HB GLN 80 11.482 9.007 13.471 660 HG2 GLN 80 2HG GLN 80 12.955 6.940 13.517 661 HG3 GLN 80 3HG GLN 80 13.276 7.268 11.815 662 HE21 GLN 80 1HE2 GLN 80 14.925 7.357 14.348 663 HE22 GLN 80 2HE2 GLN 80 15.698 8.901 14.292 664 H ASP 81 H ASP 81 9.181 8.918 11.086 665 HA ASP 81 HA ASP 81 7.429 9.994 13.072 666 HB2 ASP 81 2HB ASP 81 8.134 11.331 11.146 667 HB3 ASP 81 3HB ASP 81 7.332 10.204 10.055 668 H SER 82 H SER 82 7.066 7.673 10.422 669 HA SER 82 HA SER 82 4.313 7.281 10.574 670 HB2 SER 82 2HB SER 82 6.602 5.581 9.650 671 HB3 SER 82 3HB SER 82 4.984 4.884 9.739 672 HG SER 82 HG SER 82 4.360 6.090 8.107 673 H PHE 83 H PHE 83 6.850 5.236 12.031 674 HA PHE 83 HA PHE 83 4.989 3.796 13.641 675 HB2 PHE 83 2HB PHE 83 7.964 3.902 13.397 676 HB3 PHE 83 3HB PHE 83 7.264 3.158 14.831 677 HD1 PHE 83 HD1 PHE 83 4.996 1.706 13.930 678 HD2 PHE 83 HD2 PHE 83 8.729 2.283 11.968 679 HE1 PHE 83 HE1 PHE 83 4.659 -0.387 12.681 680 HE2 PHE 83 HE2 PHE 83 8.398 0.192 10.715 681 HZ PHE 83 HZ PHE 83 6.361 -1.146 11.070 682 H GLY 84 H GLY 84 6.562 6.806 13.964 683 HA2 GLY 84 2HA GLY 84 6.563 6.869 16.848 684 HA3 GLY 84 3HA GLY 84 6.915 8.214 15.773 685 H LYS 85 H LYS 85 4.386 7.838 14.294 686 HA LYS 85 HA LYS 85 2.729 9.428 16.046 687 HB2 LYS 85 2HB LYS 85 1.284 9.702 14.102 688 HB3 LYS 85 3HB LYS 85 2.961 10.006 13.666 689 HG2 LYS 85 2HG LYS 85 3.092 8.178 12.324 690 HG3 LYS 85 3HG LYS 85 1.922 7.258 13.273 691 HD2 LYS 85 2HD LYS 85 0.756 7.708 11.317 692 HD3 LYS 85 3HD LYS 85 0.209 8.991 12.399 693 HE2 LYS 85 2HE LYS 85 2.018 10.438 11.400 694 HE3 LYS 85 3HE LYS 85 2.249 9.175 10.191 695 HZ1 LYS 85 3HZ LYS 85 0.655 10.188 9.047 696 HZ2 LYS 85 1HZ LYS 85 0.224 11.179 10.349 697 HZ3 LYS 85 2HZ LYS 85 -0.447 9.633 10.204 698 H VAL 86 H VAL 86 3.131 6.160 15.522 699 HA VAL 86 HA VAL 86 0.386 5.585 16.433 700 HB VAL 86 HB VAL 86 0.554 3.387 15.394 701 HG11 VAL 86 1HG1 VAL 86 0.145 4.056 13.204 702 HG12 VAL 86 2HG1 VAL 86 -0.171 5.520 14.136 703 HG13 VAL 86 3HG1 VAL 86 1.353 5.339 13.267 704 HG21 VAL 86 3HG2 VAL 86 2.503 3.076 13.745 705 HG22 VAL 86 1HG2 VAL 86 3.316 4.321 14.693 706 HG23 VAL 86 2HG2 VAL 86 2.816 2.814 15.461 707 H ALA 87 H ALA 87 3.654 5.526 17.223 708 HA ALA 87 HA ALA 87 3.767 3.193 18.834 709 HB1 ALA 87 1HB ALA 87 5.649 4.831 19.921 710 HB2 ALA 87 2HB ALA 87 5.898 3.807 18.506 711 HB3 ALA 87 3HB ALA 87 5.480 5.508 18.301 712 H ALA 88 H ALA 88 3.440 6.637 19.709 713 HA ALA 88 HA ALA 88 3.083 6.280 22.449 714 HB1 ALA 88 1HB ALA 88 3.299 8.485 22.180 715 HB2 ALA 88 2HB ALA 88 2.688 8.430 20.526 716 HB3 ALA 88 3HB ALA 88 1.561 8.497 21.881 717 H GLU 89 H GLU 89 0.832 5.933 19.801 718 HA GLU 89 HA GLU 89 -1.504 5.859 21.479 719 HB2 GLU 89 2HB GLU 89 -1.327 6.511 18.967 720 HB3 GLU 89 3HB GLU 89 -1.401 4.778 18.681 721 HG2 GLU 89 2HG GLU 89 -3.601 5.566 18.466 722 HG3 GLU 89 3HG GLU 89 -3.526 4.766 20.035 723 H VAL 90 H VAL 90 0.070 3.408 19.415 724 HA VAL 90 HA VAL 90 -1.356 1.207 20.349 725 HB VAL 90 HB VAL 90 1.483 1.287 19.317 726 HG11 VAL 90 1HG1 VAL 90 -0.422 -1.018 19.694 727 HG12 VAL 90 2HG1 VAL 90 1.059 -1.102 18.739 728 HG13 VAL 90 3HG1 VAL 90 1.143 -0.783 20.472 729 HG21 VAL 90 3HG2 VAL 90 -0.943 0.470 17.759 730 HG22 VAL 90 1HG2 VAL 90 -0.476 2.166 17.886 731 HG23 VAL 90 2HG2 VAL 90 0.633 0.997 17.169 732 H LEU 91 H LEU 91 1.908 2.260 21.336 733 HA LEU 91 HA LEU 91 2.381 0.408 23.317 734 HB2 LEU 91 2HB LEU 91 3.164 3.315 23.218 735 HB3 LEU 91 3HB LEU 91 3.823 2.153 24.367 736 HG LEU 91 HG LEU 91 4.062 1.609 21.441 737 HD11 LEU 91 1HD1 LEU 91 5.622 3.163 21.030 738 HD12 LEU 91 2HD1 LEU 91 6.322 3.033 22.643 739 HD13 LEU 91 3HD1 LEU 91 4.885 4.022 22.384 740 HD21 LEU 91 3HD2 LEU 91 4.701 -0.060 23.172 741 HD22 LEU 91 1HD2 LEU 91 5.917 1.076 23.756 742 HD23 LEU 91 2HD2 LEU 91 6.033 0.424 22.122 743 H GLY 92 H GLY 92 0.417 3.318 23.454 744 HA2 GLY 92 2HA GLY 92 0.047 3.300 26.281 745 HA3 GLY 92 3HA GLY 92 -0.921 4.188 25.114 746 H ARG 93 H ARG 93 -1.688 1.855 23.585 747 HA ARG 93 HA ARG 93 -3.907 1.025 25.225 748 HB2 ARG 93 2HB ARG 93 -3.110 0.594 22.365 749 HB3 ARG 93 3HB ARG 93 -4.394 -0.371 23.079 750 HG2 ARG 93 2HG ARG 93 -4.397 2.634 23.098 751 HG3 ARG 93 3HG ARG 93 -5.130 1.669 21.815 752 HD2 ARG 93 2HD ARG 93 -5.833 1.371 24.727 753 HD3 ARG 93 3HD ARG 93 -6.698 2.441 23.625 754 HE ARG 93 HE ARG 93 -6.987 -0.376 23.836 755 HH11 ARG 93 1HH1 ARG 93 -7.024 2.251 21.552 756 HH12 ARG 93 2HH1 ARG 93 -8.079 1.442 20.441 757 HH21 ARG 93 1HH2 ARG 93 -8.377 -1.451 22.381 758 HH22 ARG 93 2HH2 ARG 93 -8.849 -0.663 20.914 759 H ILE 94 H ILE 94 -1.334 -0.701 23.457 760 HA ILE 94 HA ILE 94 -1.885 -3.259 24.390 761 HB ILE 94 HB ILE 94 0.350 -3.875 23.765 762 HG12 ILE 94 2HG1 ILE 94 0.947 -0.909 23.739 763 HG13 ILE 94 3HG1 ILE 94 1.569 -2.081 24.895 764 HG21 ILE 94 1HG2 ILE 94 0.342 -3.229 21.501 765 HG22 ILE 94 2HG2 ILE 94 -1.345 -3.184 22.008 766 HG23 ILE 94 3HG2 ILE 94 -0.429 -1.685 21.861 767 HD11 ILE 94 3HD1 ILE 94 2.498 -1.411 22.226 768 HD12 ILE 94 1HD1 ILE 94 3.343 -2.193 23.562 769 HD13 ILE 94 2HD1 ILE 94 2.322 -3.146 22.485 770 H ASN 95 H ASN 95 -0.210 -0.613 25.935 771 HA ASN 95 HA ASN 95 1.109 -2.040 27.962 772 HB2 ASN 95 2HB ASN 95 1.776 0.200 27.677 773 HB3 ASN 95 3HB ASN 95 0.120 0.795 27.750 774 HD21 ASN 95 1HD2 ASN 95 -0.555 1.601 29.605 775 HD22 ASN 95 2HD2 ASN 95 0.203 1.376 31.141 776 H GLN 96 H GLN 96 -2.178 -0.816 27.709 777 HA GLN 96 HA GLN 96 -2.843 -1.485 30.430 778 HB2 GLN 96 2HB GLN 96 -4.695 -0.795 28.144 779 HB3 GLN 96 3HB GLN 96 -5.092 -0.782 29.857 780 HG2 GLN 96 2HG GLN 96 -3.524 1.041 30.222 781 HG3 GLN 96 3HG GLN 96 -3.087 1.017 28.514 782 HE21 GLN 96 1HE2 GLN 96 -3.744 3.101 28.123 783 HE22 GLN 96 2HE2 GLN 96 -5.404 3.579 28.120 784 H GLU 97 H GLU 97 -3.517 -2.830 27.220 785 HA GLU 97 HA GLU 97 -5.145 -4.959 28.140 786 HB2 GLU 97 2HB GLU 97 -3.542 -4.688 25.591 787 HB3 GLU 97 3HB GLU 97 -4.744 -5.934 25.892 788 HG2 GLU 97 2HG GLU 97 -5.465 -3.040 26.094 789 HG3 GLU 97 3HG GLU 97 -5.407 -3.853 24.531 790 H PHE 98 H PHE 98 -1.735 -4.473 28.022 791 HA PHE 98 HA PHE 98 -1.012 -7.248 28.116 792 HB2 PHE 98 2HB PHE 98 0.441 -4.650 28.347 793 HB3 PHE 98 3HB PHE 98 1.227 -6.105 28.952 794 HD1 PHE 98 HD1 PHE 98 -1.059 -6.312 26.125 795 HD2 PHE 98 HD2 PHE 98 3.008 -5.895 27.309 796 HE1 PHE 98 HE1 PHE 98 -0.339 -6.870 23.839 797 HE2 PHE 98 HE2 PHE 98 3.734 -6.452 25.025 798 HZ PHE 98 HZ PHE 98 2.060 -6.939 23.286 799 HA PRO 99 HA PRO 99 -1.483 -8.037 32.412 800 HB2 PRO 99 2HB PRO 99 0.466 -9.890 32.782 801 HB3 PRO 99 3HB PRO 99 -1.038 -10.236 31.919 802 HG2 PRO 99 2HG PRO 99 1.668 -9.578 30.820 803 HG3 PRO 99 3HG PRO 99 0.510 -10.809 30.281 804 HD2 PRO 99 2HD PRO 99 0.794 -8.426 29.027 805 HD3 PRO 99 3HD PRO 99 -0.759 -9.282 29.111 806 H ARG 100 H ARG 100 -0.210 -8.144 34.484 807 HA ARG 100 HA ARG 100 1.326 -5.800 34.795 808 HB2 ARG 100 2HB ARG 100 1.786 -6.728 37.097 809 HB3 ARG 100 3HB ARG 100 0.087 -6.579 36.669 810 HG2 ARG 100 2HG ARG 100 -0.230 -8.845 36.559 811 HG3 ARG 100 3HG ARG 100 1.464 -9.172 36.188 812 HD2 ARG 100 2HD ARG 100 2.092 -8.651 38.471 813 HD3 ARG 100 3HD ARG 100 0.428 -8.215 38.854 814 HE ARG 100 HE ARG 100 0.553 -10.866 37.877 815 HH11 ARG 100 1HH1 ARG 100 1.292 -8.943 40.683 816 HH12 ARG 100 2HH1 ARG 100 1.107 -10.259 41.795 817 HH21 ARG 100 1HH2 ARG 100 0.306 -12.607 39.330 818 HH22 ARG 100 2HH2 ARG 100 0.547 -12.343 41.024 819 H ASP 101 H ASP 101 2.173 -9.055 34.011 820 HA ASP 101 HA ASP 101 4.927 -8.870 34.784 821 HB2 ASP 101 2HB ASP 101 5.194 -11.014 33.739 822 HB3 ASP 101 3HB ASP 101 3.651 -11.023 34.588 823 H LEU 102 H LEU 102 3.132 -8.536 31.754 824 HA LEU 102 HA LEU 102 5.484 -8.088 30.177 825 HB2 LEU 102 2HB LEU 102 2.546 -7.739 29.642 826 HB3 LEU 102 3HB LEU 102 3.784 -7.345 28.452 827 HG LEU 102 HG LEU 102 3.158 -10.065 29.592 828 HD11 LEU 102 1HD1 LEU 102 3.001 -10.300 26.920 829 HD12 LEU 102 2HD1 LEU 102 2.489 -8.624 27.110 830 HD13 LEU 102 3HD1 LEU 102 1.623 -9.910 27.949 831 HD21 LEU 102 3HD2 LEU 102 4.901 -10.452 27.525 832 HD22 LEU 102 1HD2 LEU 102 5.325 -10.495 29.236 833 HD23 LEU 102 2HD2 LEU 102 5.565 -9.016 28.306 834 H LYS 103 H LYS 103 3.263 -6.113 31.978 835 HA LYS 103 HA LYS 103 3.635 -3.629 30.796 836 HB2 LYS 103 2HB LYS 103 3.007 -4.518 33.586 837 HB3 LYS 103 3HB LYS 103 3.321 -2.816 33.273 838 HG2 LYS 103 2HG LYS 103 1.528 -3.485 31.300 839 HG3 LYS 103 3HG LYS 103 0.970 -4.421 32.688 840 HD2 LYS 103 2HD LYS 103 1.259 -2.203 33.993 841 HD3 LYS 103 3HD LYS 103 1.251 -1.452 32.396 842 HE2 LYS 103 2HE LYS 103 -0.951 -1.835 32.088 843 HE3 LYS 103 3HE LYS 103 -0.892 -3.409 32.879 844 HZ1 LYS 103 3HZ LYS 103 -1.668 -0.886 33.946 845 HZ2 LYS 103 1HZ LYS 103 -0.445 -1.589 34.881 846 HZ3 LYS 103 2HZ LYS 103 -1.881 -2.435 34.593 847 H LYS 104 H LYS 104 5.555 -5.207 33.330 848 HA LYS 104 HA LYS 104 7.386 -3.083 33.682 849 HB2 LYS 104 2HB LYS 104 7.915 -6.017 34.165 850 HB3 LYS 104 3HB LYS 104 8.725 -4.652 34.922 851 HG2 LYS 104 2HG LYS 104 5.808 -5.312 35.266 852 HG3 LYS 104 3HG LYS 104 7.087 -5.772 36.392 853 HD2 LYS 104 2HD LYS 104 6.783 -2.907 35.603 854 HD3 LYS 104 3HD LYS 104 5.682 -3.600 36.796 855 HE2 LYS 104 2HE LYS 104 7.360 -2.802 38.150 856 HE3 LYS 104 3HE LYS 104 7.891 -4.463 37.896 857 HZ1 LYS 104 3HZ LYS 104 9.632 -3.812 36.632 858 HZ2 LYS 104 1HZ LYS 104 9.482 -2.394 37.544 859 HZ3 LYS 104 2HZ LYS 104 8.829 -2.471 35.985 860 H LYS 105 H LYS 105 7.359 -5.905 31.570 861 HA LYS 105 HA LYS 105 10.003 -5.583 30.589 862 HB2 LYS 105 2HB LYS 105 7.639 -6.953 29.292 863 HB3 LYS 105 3HB LYS 105 9.324 -7.151 28.828 864 HG2 LYS 105 2HG LYS 105 9.671 -7.925 31.263 865 HG3 LYS 105 3HG LYS 105 7.918 -8.128 31.279 866 HD2 LYS 105 2HD LYS 105 8.211 -9.508 29.164 867 HD3 LYS 105 3HD LYS 105 9.939 -9.503 29.525 868 HE2 LYS 105 2HE LYS 105 9.664 -10.756 31.462 869 HE3 LYS 105 3HE LYS 105 7.956 -10.343 31.604 870 HZ1 LYS 105 3HZ LYS 105 7.668 -12.378 30.745 871 HZ2 LYS 105 1HZ LYS 105 9.226 -12.456 30.089 872 HZ3 LYS 105 2HZ LYS 105 8.000 -11.634 29.263 873 H LEU 106 H LEU 106 6.888 -4.286 29.650 874 HA LEU 106 HA LEU 106 7.854 -3.182 27.172 875 HB2 LEU 106 2HB LEU 106 5.598 -3.699 27.090 876 HB3 LEU 106 3HB LEU 106 5.292 -3.059 28.703 877 HG LEU 106 HG LEU 106 5.381 -0.801 27.885 878 HD11 LEU 106 1HD1 LEU 106 5.471 -0.883 25.150 879 HD12 LEU 106 2HD1 LEU 106 6.695 -2.066 25.609 880 HD13 LEU 106 3HD1 LEU 106 6.801 -0.411 26.207 881 HD21 LEU 106 3HD2 LEU 106 3.521 -0.880 26.206 882 HD22 LEU 106 1HD2 LEU 106 3.233 -1.805 27.680 883 HD23 LEU 106 2HD2 LEU 106 3.694 -2.636 26.195 884 H SER 107 H SER 107 7.037 -1.942 30.389 885 HA SER 107 HA SER 107 7.345 0.768 29.952 886 HB2 SER 107 2HB SER 107 6.547 0.248 32.073 887 HB3 SER 107 3HB SER 107 7.776 -0.987 32.345 888 HG SER 107 HG SER 107 7.817 1.561 33.086 889 H ARG 108 H ARG 108 9.808 -1.687 30.513 890 HA ARG 108 HA ARG 108 11.971 0.184 30.673 891 HB2 ARG 108 2HB ARG 108 13.414 -1.776 30.640 892 HB3 ARG 108 3HB ARG 108 12.073 -2.028 31.750 893 HG2 ARG 108 2HG ARG 108 11.022 -3.547 30.322 894 HG3 ARG 108 3HG ARG 108 11.975 -3.032 28.929 895 HD2 ARG 108 2HD ARG 108 13.349 -4.730 29.351 896 HD3 ARG 108 3HD ARG 108 13.850 -3.872 30.808 897 HE ARG 108 HE ARG 108 12.130 -6.182 30.651 898 HH11 ARG 108 1HH1 ARG 108 13.154 -3.463 32.569 899 HH12 ARG 108 2HH1 ARG 108 12.676 -4.177 34.073 900 HH21 ARG 108 1HH2 ARG 108 11.496 -7.133 32.625 901 HH22 ARG 108 2HH2 ARG 108 11.734 -6.265 34.104 902 H VAL 109 H VAL 109 10.325 -1.500 28.128 903 HA VAL 109 HA VAL 109 12.389 -1.178 26.162 904 HB VAL 109 HB VAL 109 9.462 -1.865 25.891 905 HG11 VAL 109 1HG1 VAL 109 9.703 -1.240 23.753 906 HG12 VAL 109 2HG1 VAL 109 11.463 -1.169 23.874 907 HG13 VAL 109 3HG1 VAL 109 10.659 -2.712 23.586 908 HG21 VAL 109 3HG2 VAL 109 11.439 -3.400 26.897 909 HG22 VAL 109 1HG2 VAL 109 10.047 -4.040 26.023 910 HG23 VAL 109 2HG2 VAL 109 11.578 -3.791 25.183 911 H VAL 110 H VAL 110 9.263 0.411 26.773 912 HA VAL 110 HA VAL 110 9.310 2.249 24.696 913 HB VAL 110 HB VAL 110 7.326 1.963 26.041 914 HG11 VAL 110 1HG1 VAL 110 8.897 3.213 28.293 915 HG12 VAL 110 2HG1 VAL 110 7.181 2.803 28.336 916 HG13 VAL 110 3HG1 VAL 110 8.391 1.527 28.190 917 HG21 VAL 110 3HG2 VAL 110 6.710 4.299 26.398 918 HG22 VAL 110 1HG2 VAL 110 8.410 4.764 26.331 919 HG23 VAL 110 2HG2 VAL 110 7.618 4.108 24.899 920 H ASN 111 H ASN 111 10.918 2.340 27.816 921 HA ASN 111 HA ASN 111 11.693 5.048 27.780 922 HB2 ASN 111 2HB ASN 111 12.847 2.620 29.151 923 HB3 ASN 111 3HB ASN 111 13.518 4.234 29.370 924 HD21 ASN 111 1HD2 ASN 111 12.442 2.642 31.421 925 HD22 ASN 111 2HD2 ASN 111 11.047 3.446 32.047 926 H ILE 112 H ILE 112 13.188 2.134 26.479 927 HA ILE 112 HA ILE 112 15.708 3.031 25.847 928 HB ILE 112 HB ILE 112 13.949 1.247 24.160 929 HG12 ILE 112 2HG1 ILE 112 16.106 0.436 26.108 930 HG13 ILE 112 3HG1 ILE 112 14.417 0.589 26.579 931 HG21 ILE 112 1HG2 ILE 112 15.688 1.883 22.740 932 HG22 ILE 112 2HG2 ILE 112 16.874 1.889 24.044 933 HG23 ILE 112 3HG2 ILE 112 16.245 0.360 23.432 934 HD11 ILE 112 3HD1 ILE 112 14.356 -1.591 26.073 935 HD12 ILE 112 1HD1 ILE 112 14.177 -1.003 24.420 936 HD13 ILE 112 2HD1 ILE 112 15.763 -1.494 25.016 937 H LEU 113 H LEU 113 12.673 3.796 24.292 938 HA LEU 113 HA LEU 113 13.520 4.784 21.854 939 HB2 LEU 113 2HB LEU 113 11.335 5.840 23.642 940 HB3 LEU 113 3HB LEU 113 11.532 6.250 21.939 941 HG LEU 113 HG LEU 113 10.919 3.503 23.028 942 HD11 LEU 113 1HD1 LEU 113 9.239 5.728 22.007 943 HD12 LEU 113 2HD1 LEU 113 8.907 4.543 23.269 944 HD13 LEU 113 3HD1 LEU 113 8.792 4.079 21.572 945 HD21 LEU 113 3HD2 LEU 113 11.670 4.523 20.358 946 HD22 LEU 113 1HD2 LEU 113 10.335 3.372 20.417 947 HD23 LEU 113 2HD2 LEU 113 11.910 2.930 21.077 948 H LYS 114 H LYS 114 13.552 6.338 25.017 949 HA LYS 114 HA LYS 114 14.382 8.891 24.042 950 HB2 LYS 114 2HB LYS 114 14.379 9.578 26.248 951 HB3 LYS 114 3HB LYS 114 13.244 8.235 26.307 952 HG2 LYS 114 2HG LYS 114 15.358 6.838 26.911 953 HG3 LYS 114 3HG LYS 114 16.029 8.409 27.355 954 HD2 LYS 114 2HD LYS 114 13.808 8.691 28.676 955 HD3 LYS 114 3HD LYS 114 13.709 6.934 28.539 956 HE2 LYS 114 2HE LYS 114 15.936 6.752 29.571 957 HE3 LYS 114 3HE LYS 114 15.985 8.506 29.744 958 HZ1 LYS 114 3HZ LYS 114 14.957 8.265 31.674 959 HZ2 LYS 114 1HZ LYS 114 14.792 6.597 31.443 960 HZ3 LYS 114 2HZ LYS 114 13.600 7.653 30.872 961 H GLU 115 H GLU 115 16.011 5.980 25.065 962 HA GLU 115 HA GLU 115 18.590 7.132 25.405 963 HB2 GLU 115 2HB GLU 115 17.602 4.317 25.018 964 HB3 GLU 115 3HB GLU 115 19.321 4.679 25.084 965 HG2 GLU 115 2HG GLU 115 17.353 5.390 27.245 966 HG3 GLU 115 3HG GLU 115 18.355 3.940 27.241 967 H ARG 116 H ARG 116 17.061 5.342 22.740 968 HA ARG 116 HA ARG 116 19.338 5.733 21.013 969 HB2 ARG 116 2HB ARG 116 16.599 4.764 20.204 970 HB3 ARG 116 3HB ARG 116 18.131 4.471 19.391 971 HG2 ARG 116 2HG ARG 116 17.287 3.373 22.065 972 HG3 ARG 116 3HG ARG 116 17.399 2.482 20.545 973 HD2 ARG 116 2HD ARG 116 19.699 3.814 21.971 974 HD3 ARG 116 3HD ARG 116 19.339 2.088 22.003 975 HE ARG 116 HE ARG 116 19.554 2.629 19.361 976 HH11 ARG 116 1HH1 ARG 116 21.602 3.243 22.108 977 HH12 ARG 116 2HH1 ARG 116 23.073 3.155 21.196 978 HH21 ARG 116 1HH2 ARG 116 21.484 2.511 18.149 979 HH22 ARG 116 2HH2 ARG 116 23.004 2.740 18.944 980 H ASN 117 H ASN 117 16.544 7.492 21.843 981 HA ASN 117 HA ASN 117 15.627 9.430 21.085 982 HB2 ASN 117 2HB ASN 117 18.244 9.734 19.594 983 HB3 ASN 117 3HB ASN 117 17.102 11.021 19.972 984 HD21 ASN 117 1HD2 ASN 117 17.327 12.083 21.823 985 HD22 ASN 117 2HD2 ASN 117 18.391 11.635 23.109 986 H ILE 118 H ILE 118 14.754 7.237 19.744 987 HA ILE 118 HA ILE 118 15.030 7.361 16.932 988 HB ILE 118 HB ILE 118 12.674 6.244 18.451 989 HG12 ILE 118 2HG1 ILE 118 14.756 5.324 19.353 990 HG13 ILE 118 3HG1 ILE 118 13.885 4.101 18.435 991 HG21 ILE 118 1HG2 ILE 118 13.612 6.134 15.656 992 HG22 ILE 118 2HG2 ILE 118 13.020 4.621 16.341 993 HG23 ILE 118 3HG2 ILE 118 11.977 6.043 16.311 994 HD11 ILE 118 3HD1 ILE 118 16.261 5.680 17.481 995 HD12 ILE 118 1HD1 ILE 118 16.256 3.990 17.983 996 HD13 ILE 118 2HD1 ILE 118 15.378 4.483 16.535 997 H PHE 119 H PHE 119 12.142 8.151 18.876 998 HA PHE 119 HA PHE 119 11.146 9.830 16.731 999 HB2 PHE 119 2HB PHE 119 9.863 9.446 19.430 1000 HB3 PHE 119 3HB PHE 119 9.093 9.890 17.911 1001 HD1 PHE 119 HD1 PHE 119 9.689 8.025 15.980 1002 HD2 PHE 119 HD2 PHE 119 9.343 7.350 20.169 1003 HE1 PHE 119 HE1 PHE 119 9.168 5.658 15.553 1004 HE2 PHE 119 HE2 PHE 119 8.822 4.983 19.748 1005 HZ PHE 119 HZ PHE 119 8.735 4.134 17.438 1006 H SER 120 H SER 120 10.262 12.009 17.267 1007 HA SER 120 HA SER 120 12.319 13.579 18.518 1008 HB2 SER 120 2HB SER 120 9.699 14.318 17.203 1009 HB3 SER 120 3HB SER 120 10.816 15.507 17.871 1010 HG SER 120 HG SER 120 10.903 14.675 15.487 1011 H LYS 121 H LYS 121 11.511 15.494 19.938 1012 HA LYS 121 HA LYS 121 10.702 14.457 22.404 1013 HB2 LYS 121 2HB LYS 121 11.886 16.722 21.725 1014 HB3 LYS 121 3HB LYS 121 10.241 17.342 21.779 1015 HG2 LYS 121 2HG LYS 121 10.861 17.757 23.920 1016 HG3 LYS 121 3HG LYS 121 10.243 16.116 24.123 1017 HD2 LYS 121 2HD LYS 121 12.590 15.295 23.770 1018 HD3 LYS 121 3HD LYS 121 13.118 16.978 23.835 1019 HE2 LYS 121 2HE LYS 121 13.418 16.310 26.020 1020 HE3 LYS 121 3HE LYS 121 11.803 17.013 26.084 1021 HZ1 LYS 121 3HZ LYS 121 11.148 15.087 26.935 1022 HZ2 LYS 121 1HZ LYS 121 12.623 14.333 26.590 1023 HZ3 LYS 121 2HZ LYS 121 11.405 14.385 25.417 1024 H GLN 122 H GLN 122 8.860 16.160 19.908 1025 HA GLN 122 HA GLN 122 6.455 16.451 21.290 1026 HB2 GLN 122 2HB GLN 122 7.071 16.144 18.358 1027 HB3 GLN 122 3HB GLN 122 5.430 16.387 18.943 1028 HG2 GLN 122 2HG GLN 122 5.970 18.522 19.825 1029 HG3 GLN 122 3HG GLN 122 7.694 18.261 19.566 1030 HE21 GLN 122 1HE2 GLN 122 4.855 19.526 18.297 1031 HE22 GLN 122 2HE2 GLN 122 5.413 19.851 16.695 1032 H VAL 123 H VAL 123 7.760 13.713 19.508 1033 HA VAL 123 HA VAL 123 5.353 12.159 19.676 1034 HB VAL 123 HB VAL 123 8.154 11.193 19.090 1035 HG11 VAL 123 1HG1 VAL 123 5.465 9.961 19.020 1036 HG12 VAL 123 2HG1 VAL 123 6.556 9.573 17.688 1037 HG13 VAL 123 3HG1 VAL 123 7.037 9.236 19.352 1038 HG21 VAL 123 3HG2 VAL 123 6.056 12.401 17.312 1039 HG22 VAL 123 1HG2 VAL 123 7.755 12.847 17.476 1040 HG23 VAL 123 2HG2 VAL 123 7.313 11.336 16.682 1041 H VAL 124 H VAL 124 8.545 11.950 21.250 1042 HA VAL 124 HA VAL 124 8.008 9.818 22.949 1043 HB VAL 124 HB VAL 124 9.798 12.195 23.478 1044 HG11 VAL 124 1HG1 VAL 124 9.993 11.316 25.521 1045 HG12 VAL 124 2HG1 VAL 124 9.155 9.834 25.056 1046 HG13 VAL 124 3HG1 VAL 124 10.883 10.006 24.746 1047 HG21 VAL 124 3HG2 VAL 124 10.117 10.688 21.384 1048 HG22 VAL 124 1HG2 VAL 124 11.509 11.077 22.395 1049 HG23 VAL 124 2HG2 VAL 124 10.721 9.507 22.546 1050 H ASN 125 H ASN 125 7.581 13.299 23.530 1051 HA ASN 125 HA ASN 125 6.707 13.161 26.170 1052 HB2 ASN 125 2HB ASN 125 6.368 15.118 23.945 1053 HB3 ASN 125 3HB ASN 125 5.348 15.305 25.368 1054 HD21 ASN 125 1HD2 ASN 125 8.696 14.208 25.071 1055 HD22 ASN 125 2HD2 ASN 125 9.373 15.444 26.071 1056 H ASP 126 H ASP 126 5.069 12.384 23.219 1057 HA ASP 126 HA ASP 126 2.415 12.493 24.287 1058 HB2 ASP 126 2HB ASP 126 3.257 12.560 21.792 1059 HB3 ASP 126 3HB ASP 126 3.116 10.808 21.915 1060 H ILE 127 H ILE 127 4.786 9.929 23.710 1061 HA ILE 127 HA ILE 127 3.236 7.713 24.321 1062 HB ILE 127 HB ILE 127 6.160 8.126 24.958 1063 HG12 ILE 127 2HG1 ILE 127 5.036 6.663 22.582 1064 HG13 ILE 127 3HG1 ILE 127 5.287 8.405 22.535 1065 HG21 ILE 127 1HG2 ILE 127 4.366 5.922 25.451 1066 HG22 ILE 127 2HG2 ILE 127 5.678 5.446 24.374 1067 HG23 ILE 127 3HG2 ILE 127 6.043 6.141 25.953 1068 HD11 ILE 127 3HD1 ILE 127 7.301 7.841 21.746 1069 HD12 ILE 127 1HD1 ILE 127 7.690 7.573 23.445 1070 HD13 ILE 127 2HD1 ILE 127 7.225 6.214 22.421 1071 H GLU 128 H GLU 128 5.133 9.767 26.515 1072 HA GLU 128 HA GLU 128 4.620 8.348 28.873 1073 HB2 GLU 128 2HB GLU 128 5.235 11.260 28.385 1074 HB3 GLU 128 3HB GLU 128 5.086 10.577 29.998 1075 HG2 GLU 128 2HG GLU 128 6.960 9.348 28.030 1076 HG3 GLU 128 3HG GLU 128 7.421 10.811 28.898 1077 H ARG 129 H ARG 129 2.895 11.091 27.420 1078 HA ARG 129 HA ARG 129 0.987 11.469 29.414 1079 HB2 ARG 129 2HB ARG 129 0.708 11.865 26.429 1080 HB3 ARG 129 3HB ARG 129 -0.395 12.508 27.639 1081 HG2 ARG 129 2HG ARG 129 2.507 13.162 27.820 1082 HG3 ARG 129 3HG ARG 129 1.497 13.997 26.638 1083 HD2 ARG 129 2HD ARG 129 0.722 13.795 29.532 1084 HD3 ARG 129 3HD ARG 129 1.775 15.079 28.938 1085 HE ARG 129 HE ARG 129 -0.413 15.130 27.290 1086 HH11 ARG 129 1HH1 ARG 129 0.134 15.405 30.717 1087 HH12 ARG 129 2HH1 ARG 129 -1.230 16.440 30.983 1088 HH21 ARG 129 1HH2 ARG 129 -2.211 16.493 27.628 1089 HH22 ARG 129 2HH2 ARG 129 -2.564 17.057 29.226 1090 H SER 130 H SER 130 1.022 9.239 26.680 1091 HA SER 130 HA SER 130 -1.580 8.322 26.723 1092 HB2 SER 130 2HB SER 130 0.855 6.581 26.280 1093 HB3 SER 130 3HB SER 130 -0.772 6.312 25.654 1094 HG SER 130 HG SER 130 -0.457 8.418 24.572 1095 H LEU 131 H LEU 131 1.173 7.165 28.647 1096 HA LEU 131 HA LEU 131 -0.479 5.307 30.113 1097 HB2 LEU 131 2HB LEU 131 2.282 6.126 30.925 1098 HB3 LEU 131 3HB LEU 131 1.474 4.575 31.143 1099 HG LEU 131 HG LEU 131 2.383 5.632 28.470 1100 HD11 LEU 131 1HD1 LEU 131 4.264 5.269 30.064 1101 HD12 LEU 131 2HD1 LEU 131 4.300 4.217 28.649 1102 HD13 LEU 131 3HD1 LEU 131 3.756 3.586 30.203 1103 HD21 LEU 131 3HD2 LEU 131 1.720 2.810 29.269 1104 HD22 LEU 131 1HD2 LEU 131 1.938 3.467 27.647 1105 HD23 LEU 131 2HD2 LEU 131 0.523 3.918 28.598 1106 H ALA 132 H ALA 132 0.661 8.560 30.480 1107 HA ALA 132 HA ALA 132 0.305 8.787 33.288 1108 HB1 ALA 132 1HB ALA 132 1.694 10.330 31.949 1109 HB2 ALA 132 2HB ALA 132 0.225 10.980 31.220 1110 HB3 ALA 132 3HB ALA 132 0.509 11.167 32.951 1111 H ALA 133 H ALA 133 -1.885 8.612 30.692 1112 HA ALA 133 HA ALA 133 -4.012 10.016 32.111 1113 HB1 ALA 133 1HB ALA 133 -3.680 8.947 29.348 1114 HB2 ALA 133 2HB ALA 133 -5.306 9.203 29.985 1115 HB3 ALA 133 3HB ALA 133 -4.175 10.553 29.884 1116 H ALA 134 H ALA 134 -3.268 6.761 30.907 1117 HA ALA 134 HA ALA 134 -5.647 5.566 31.903 1118 HB1 ALA 134 1HB ALA 134 -3.237 3.888 31.551 1119 HB2 ALA 134 2HB ALA 134 -4.886 3.643 30.976 1120 HB3 ALA 134 3HB ALA 134 -3.816 4.763 30.133 1121 H LEU 135 H LEU 135 -2.403 6.009 33.196 1122 HA LEU 135 HA LEU 135 -1.464 5.453 35.210 1123 HB2 LEU 135 2HB LEU 135 -2.539 6.431 37.042 1124 HB3 LEU 135 3HB LEU 135 -3.060 7.374 35.647 1125 HG LEU 135 HG LEU 135 -4.863 5.174 36.381 1126 HD11 LEU 135 1HD1 LEU 135 -5.561 5.875 38.425 1127 HD12 LEU 135 2HD1 LEU 135 -5.066 7.544 38.149 1128 HD13 LEU 135 3HD1 LEU 135 -3.860 6.323 38.553 1129 HD21 LEU 135 3HD2 LEU 135 -6.115 7.698 36.347 1130 HD22 LEU 135 1HD2 LEU 135 -6.153 6.447 35.104 1131 HD23 LEU 135 2HD2 LEU 135 -4.916 7.703 35.052 1132 H GLU 136 H GLU 136 -2.797 3.252 33.827 1133 HA GLU 136 HA GLU 136 -4.235 1.663 35.686 1134 HB2 GLU 136 2HB GLU 136 -2.793 1.027 33.119 1135 HB3 GLU 136 3HB GLU 136 -3.592 -0.216 34.070 1136 HG2 GLU 136 2HG GLU 136 -5.063 2.235 33.187 1137 HG3 GLU 136 3HG GLU 136 -4.866 0.849 32.116 1138 H HIS 137 H HIS 137 -0.830 1.828 34.752 1139 HA HIS 137 HA HIS 137 -0.005 -0.382 36.346 1140 HB2 HIS 137 2HB HIS 137 1.274 0.499 34.392 1141 HB3 HIS 137 3HB HIS 137 1.674 1.926 35.343 1142 HD1 HIS 137 HD1 HIS 137 1.818 -1.735 36.362 1143 HD2 HIS 137 HD2 HIS 137 4.296 1.571 35.928 1144 HE1 HIS 137 HE1 HIS 137 4.068 -2.466 37.213 1145 H HIS 138 H HIS 138 0.100 -0.462 38.481 1146 HA HIS 138 HA HIS 138 -0.362 1.712 40.180 1147 HB2 HIS 138 2HB HIS 138 0.504 0.165 41.984 1148 HB3 HIS 138 3HB HIS 138 -0.806 -0.482 41.001 1149 HD1 HIS 138 HD1 HIS 138 -0.281 -2.498 39.508 1150 HD2 HIS 138 HD2 HIS 138 3.004 -1.088 41.625 1151 HE1 HIS 138 HE1 HIS 138 1.490 -4.266 39.257 Start of MODEL 13 1 H ALA 2 H ALA 2 4.581 -0.594 -3.041 2 HA ALA 2 HA ALA 2 3.265 -2.302 -4.994 3 HB1 ALA 2 1HB ALA 2 6.023 -1.309 -4.567 4 HB2 ALA 2 2HB ALA 2 5.837 -2.859 -5.388 5 HB3 ALA 2 3HB ALA 2 5.070 -1.415 -6.048 6 H PHE 3 H PHE 3 5.162 -2.570 -2.044 7 HA PHE 3 HA PHE 3 5.741 -5.283 -2.066 8 HB2 PHE 3 2HB PHE 3 6.106 -5.110 0.272 9 HB3 PHE 3 3HB PHE 3 6.508 -3.529 -0.390 10 HD1 PHE 3 HD1 PHE 3 4.584 -1.773 -0.366 11 HD2 PHE 3 HD2 PHE 3 4.691 -5.253 2.083 12 HE1 PHE 3 HE1 PHE 3 3.008 -0.716 1.200 13 HE2 PHE 3 HE2 PHE 3 3.113 -4.202 3.651 14 HZ PHE 3 HZ PHE 3 2.269 -1.930 3.210 15 H SER 4 H SER 4 4.722 -6.825 -0.335 16 HA SER 4 HA SER 4 1.835 -6.905 -0.894 17 HB2 SER 4 2HB SER 4 3.284 -8.791 -1.745 18 HB3 SER 4 3HB SER 4 3.591 -9.223 -0.063 19 HG SER 4 HG SER 4 1.851 -10.416 -0.925 20 H SER 5 H SER 5 0.703 -6.130 0.763 21 HA SER 5 HA SER 5 1.579 -5.902 3.404 22 HB2 SER 5 2HB SER 5 -0.663 -5.271 3.955 23 HB3 SER 5 3HB SER 5 -0.349 -4.667 2.329 24 HG SER 5 HG SER 5 -1.755 -6.046 1.528 25 H GLU 6 H GLU 6 0.171 -8.570 1.707 26 HA GLU 6 HA GLU 6 -0.804 -10.042 3.906 27 HB2 GLU 6 2HB GLU 6 -1.415 -10.544 1.578 28 HB3 GLU 6 3HB GLU 6 0.237 -11.046 1.251 29 HG2 GLU 6 2HG GLU 6 0.027 -12.895 2.780 30 HG3 GLU 6 3HG GLU 6 -1.584 -12.359 3.253 31 H GLN 7 H GLN 7 2.370 -9.805 2.416 32 HA GLN 7 HA GLN 7 3.580 -11.992 3.704 33 HB2 GLN 7 2HB GLN 7 4.532 -9.548 2.311 34 HB3 GLN 7 3HB GLN 7 5.681 -10.365 3.362 35 HG2 GLN 7 2HG GLN 7 5.628 -10.996 0.882 36 HG3 GLN 7 3HG GLN 7 5.686 -12.291 2.076 37 HE21 GLN 7 1HE2 GLN 7 4.353 -13.902 1.718 38 HE22 GLN 7 2HE2 GLN 7 2.856 -13.820 0.860 39 H PHE 8 H PHE 8 3.576 -8.534 4.555 40 HA PHE 8 HA PHE 8 5.064 -8.728 6.902 41 HB2 PHE 8 2HB PHE 8 4.490 -6.594 5.793 42 HB3 PHE 8 3HB PHE 8 2.818 -6.791 6.307 43 HD1 PHE 8 HD1 PHE 8 6.103 -7.172 8.037 44 HD2 PHE 8 HD2 PHE 8 2.293 -5.278 7.944 45 HE1 PHE 8 HE1 PHE 8 6.624 -6.028 10.151 46 HE2 PHE 8 HE2 PHE 8 2.808 -4.129 10.058 47 HZ PHE 8 HZ PHE 8 4.977 -4.503 11.164 48 H THR 9 H THR 9 1.576 -9.029 6.389 49 HA THR 9 HA THR 9 0.894 -9.304 9.126 50 HB THR 9 HB THR 9 -0.721 -10.508 6.893 51 HG1 THR 9 HG1 THR 9 -0.854 -8.585 6.037 52 HG21 THR 9 3HG2 THR 9 -2.572 -9.534 8.352 53 HG22 THR 9 1HG2 THR 9 -1.326 -9.281 9.573 54 HG23 THR 9 2HG2 THR 9 -1.687 -10.912 9.007 55 H THR 10 H THR 10 1.204 -11.723 6.525 56 HA THR 10 HA THR 10 0.730 -13.990 8.074 57 HB THR 10 HB THR 10 2.506 -13.730 5.640 58 HG1 THR 10 HG1 THR 10 0.289 -13.146 5.322 59 HG21 THR 10 3HG2 THR 10 1.414 -16.275 5.689 60 HG22 THR 10 1HG2 THR 10 1.887 -15.988 7.363 61 HG23 THR 10 2HG2 THR 10 3.082 -15.848 6.073 62 H LYS 11 H LYS 11 3.775 -12.319 7.365 63 HA LYS 11 HA LYS 11 5.476 -14.141 8.673 64 HB2 LYS 11 2HB LYS 11 5.717 -11.256 7.885 65 HB3 LYS 11 3HB LYS 11 6.975 -12.015 8.853 66 HG2 LYS 11 2HG LYS 11 7.085 -13.794 7.047 67 HG3 LYS 11 3HG LYS 11 6.098 -12.708 6.067 68 HD2 LYS 11 2HD LYS 11 8.287 -12.195 5.438 69 HD3 LYS 11 3HD LYS 11 7.878 -10.934 6.604 70 HE2 LYS 11 2HE LYS 11 9.967 -11.575 7.333 71 HE3 LYS 11 3HE LYS 11 8.922 -12.586 8.331 72 HZ1 LYS 11 3HZ LYS 11 9.542 -13.859 5.864 73 HZ2 LYS 11 1HZ LYS 11 9.790 -14.408 7.445 74 HZ3 LYS 11 2HZ LYS 11 10.955 -13.438 6.694 75 H LEU 12 H LEU 12 3.826 -11.220 9.806 76 HA LEU 12 HA LEU 12 4.969 -11.164 12.381 77 HB2 LEU 12 2HB LEU 12 2.447 -10.046 11.209 78 HB3 LEU 12 3HB LEU 12 2.809 -9.871 12.925 79 HG LEU 12 HG LEU 12 4.785 -8.954 10.872 80 HD11 LEU 12 1HD1 LEU 12 3.380 -7.434 10.075 81 HD12 LEU 12 2HD1 LEU 12 3.330 -6.716 11.685 82 HD13 LEU 12 3HD1 LEU 12 2.124 -7.915 11.217 83 HD21 LEU 12 3HD2 LEU 12 5.829 -8.040 12.619 84 HD22 LEU 12 1HD2 LEU 12 4.790 -9.054 13.621 85 HD23 LEU 12 2HD2 LEU 12 4.331 -7.385 13.282 86 H ASN 13 H ASN 13 2.274 -12.928 11.025 87 HA ASN 13 HA ASN 13 1.317 -13.824 13.601 88 HB2 ASN 13 2HB ASN 13 0.497 -14.231 10.757 89 HB3 ASN 13 3HB ASN 13 -0.038 -15.401 11.960 90 HD21 ASN 13 1HD2 ASN 13 -0.895 -12.684 10.385 91 HD22 ASN 13 2HD2 ASN 13 -2.014 -12.017 11.520 92 H THR 14 H THR 14 3.936 -14.596 11.799 93 HA THR 14 HA THR 14 4.068 -17.285 12.969 94 HB THR 14 HB THR 14 3.471 -17.475 10.546 95 HG1 THR 14 HG1 THR 14 4.609 -19.262 10.578 96 HG21 THR 14 3HG2 THR 14 5.549 -15.552 10.283 97 HG22 THR 14 1HG2 THR 14 4.521 -16.234 9.024 98 HG23 THR 14 2HG2 THR 14 6.047 -17.016 9.435 99 H LEU 15 H LEU 15 5.245 -14.537 13.480 100 HA LEU 15 HA LEU 15 8.084 -15.009 13.033 101 HB2 LEU 15 2HB LEU 15 8.424 -12.792 13.459 102 HB3 LEU 15 3HB LEU 15 6.772 -12.753 12.846 103 HG LEU 15 HG LEU 15 6.203 -12.943 15.430 104 HD11 LEU 15 1HD1 LEU 15 9.042 -12.113 15.316 105 HD12 LEU 15 2HD1 LEU 15 8.163 -12.992 16.567 106 HD13 LEU 15 3HD1 LEU 15 7.991 -11.242 16.433 107 HD21 LEU 15 3HD2 LEU 15 6.689 -10.250 15.256 108 HD22 LEU 15 1HD2 LEU 15 5.254 -11.077 14.647 109 HD23 LEU 15 2HD2 LEU 15 6.602 -10.736 13.562 110 H GLU 16 H GLU 16 9.586 -15.348 14.638 111 HA GLU 16 HA GLU 16 8.478 -16.149 17.239 112 HB2 GLU 16 2HB GLU 16 10.739 -17.112 15.571 113 HB3 GLU 16 3HB GLU 16 10.955 -17.169 17.315 114 HG2 GLU 16 2HG GLU 16 10.124 -19.278 16.619 115 HG3 GLU 16 3HG GLU 16 8.824 -18.446 17.469 116 H ASP 17 H ASP 17 10.031 -15.869 19.110 117 HA ASP 17 HA ASP 17 11.034 -13.120 19.049 118 HB2 ASP 17 2HB ASP 17 9.392 -13.935 20.817 119 HB3 ASP 17 3HB ASP 17 10.723 -14.879 21.481 120 H SER 18 H SER 18 12.987 -13.537 17.935 121 HA SER 18 HA SER 18 15.110 -14.487 19.684 122 HB2 SER 18 2HB SER 18 14.195 -15.913 17.277 123 HB3 SER 18 3HB SER 18 15.933 -15.616 17.329 124 HG SER 18 HG SER 18 14.328 -17.126 19.066 125 H GLN 19 H GLN 19 17.254 -13.875 18.924 126 HA GLN 19 HA GLN 19 17.386 -11.225 18.064 127 HB2 GLN 19 2HB GLN 19 19.414 -13.421 18.301 128 HB3 GLN 19 3HB GLN 19 19.866 -11.875 17.595 129 HG2 GLN 19 2HG GLN 19 18.569 -12.087 20.291 130 HG3 GLN 19 3HG GLN 19 20.314 -12.195 20.067 131 HE21 GLN 19 1HE2 GLN 19 17.507 -10.134 19.699 132 HE22 GLN 19 2HE2 GLN 19 18.369 -8.638 19.685 133 H GLU 20 H GLU 20 17.977 -14.228 16.262 134 HA GLU 20 HA GLU 20 18.508 -12.854 13.803 135 HB2 GLU 20 2HB GLU 20 17.996 -15.757 14.450 136 HB3 GLU 20 3HB GLU 20 18.334 -15.180 12.824 137 HG2 GLU 20 2HG GLU 20 20.487 -14.268 13.656 138 HG3 GLU 20 3HG GLU 20 20.151 -15.019 15.215 139 H SER 21 H SER 21 15.716 -14.322 15.320 140 HA SER 21 HA SER 21 14.041 -14.411 13.049 141 HB2 SER 21 2HB SER 21 13.422 -14.272 16.004 142 HB3 SER 21 3HB SER 21 12.179 -14.459 14.767 143 HG SER 21 HG SER 21 13.766 -16.293 14.114 144 H ILE 22 H ILE 22 14.327 -12.009 15.659 145 HA ILE 22 HA ILE 22 12.417 -10.215 14.619 146 HB ILE 22 HB ILE 22 14.764 -9.674 16.440 147 HG12 ILE 22 2HG1 ILE 22 13.073 -11.305 17.276 148 HG13 ILE 22 3HG1 ILE 22 13.162 -9.838 18.245 149 HG21 ILE 22 1HG2 ILE 22 14.265 -7.549 15.768 150 HG22 ILE 22 2HG2 ILE 22 12.584 -7.939 15.407 151 HG23 ILE 22 3HG2 ILE 22 13.100 -7.726 17.080 152 HD11 ILE 22 3HD1 ILE 22 10.900 -11.002 17.063 153 HD12 ILE 22 1HD1 ILE 22 11.004 -9.483 17.953 154 HD13 ILE 22 2HD1 ILE 22 11.204 -9.494 16.201 155 H SER 23 H SER 23 15.913 -10.479 14.190 156 HA SER 23 HA SER 23 16.172 -8.075 12.679 157 HB2 SER 23 2HB SER 23 17.983 -9.492 13.955 158 HB3 SER 23 3HB SER 23 18.115 -10.341 12.415 159 HG SER 23 HG SER 23 18.314 -8.090 11.529 160 H SER 24 H SER 24 15.404 -11.382 11.919 161 HA SER 24 HA SER 24 16.014 -11.474 9.209 162 HB2 SER 24 2HB SER 24 15.302 -13.448 10.478 163 HB3 SER 24 3HB SER 24 13.682 -12.770 10.644 164 HG SER 24 HG SER 24 14.396 -14.334 8.778 165 H ALA 25 H ALA 25 12.984 -10.456 10.770 166 HA ALA 25 HA ALA 25 11.832 -9.618 8.263 167 HB1 ALA 25 1HB ALA 25 10.053 -8.662 9.879 168 HB2 ALA 25 2HB ALA 25 10.223 -10.412 9.731 169 HB3 ALA 25 3HB ALA 25 10.924 -9.572 11.114 170 H SER 26 H SER 26 13.639 -8.170 10.846 171 HA SER 26 HA SER 26 12.919 -5.490 10.559 172 HB2 SER 26 2HB SER 26 14.831 -4.971 11.819 173 HB3 SER 26 3HB SER 26 14.445 -6.616 12.323 174 HG SER 26 HG SER 26 16.665 -5.676 11.101 175 H LYS 27 H LYS 27 15.351 -7.404 8.845 176 HA LYS 27 HA LYS 27 16.458 -5.292 7.344 177 HB2 LYS 27 2HB LYS 27 16.374 -8.273 6.995 178 HB3 LYS 27 3HB LYS 27 17.071 -7.248 5.748 179 HG2 LYS 27 2HG LYS 27 18.900 -6.758 6.978 180 HG3 LYS 27 3HG LYS 27 18.016 -6.783 8.505 181 HD2 LYS 27 2HD LYS 27 18.077 -9.150 8.607 182 HD3 LYS 27 3HD LYS 27 18.623 -9.277 6.933 183 HE2 LYS 27 2HE LYS 27 20.718 -8.099 7.608 184 HE3 LYS 27 3HE LYS 27 20.173 -8.196 9.282 185 HZ1 LYS 27 3HZ LYS 27 20.088 -10.641 9.003 186 HZ2 LYS 27 1HZ LYS 27 21.647 -10.002 8.855 187 HZ3 LYS 27 2HZ LYS 27 20.789 -10.467 7.474 188 H TRP 28 H TRP 28 13.664 -7.349 6.841 189 HA TRP 28 HA TRP 28 13.210 -6.642 4.130 190 HB2 TRP 28 2HB TRP 28 12.253 -8.651 5.327 191 HB3 TRP 28 3HB TRP 28 11.132 -7.552 6.126 192 HD1 TRP 28 HD1 TRP 28 12.148 -7.902 2.385 193 HE1 TRP 28 HE1 TRP 28 9.985 -8.056 0.998 194 HE3 TRP 28 HE3 TRP 28 8.732 -7.724 6.185 195 HZ2 TRP 28 HZ2 TRP 28 7.200 -8.096 1.454 196 HZ3 TRP 28 HZ3 TRP 28 6.338 -7.825 5.624 197 HH2 TRP 28 HH2 TRP 28 5.590 -8.006 3.307 198 H LEU 29 H LEU 29 11.652 -5.557 7.148 199 HA LEU 29 HA LEU 29 10.072 -3.567 5.900 200 HB2 LEU 29 2HB LEU 29 10.957 -3.929 8.755 201 HB3 LEU 29 3HB LEU 29 9.827 -2.681 8.235 202 HG LEU 29 HG LEU 29 9.141 -5.472 7.526 203 HD11 LEU 29 1HD1 LEU 29 10.058 -5.267 9.996 204 HD12 LEU 29 2HD1 LEU 29 8.629 -6.228 9.613 205 HD13 LEU 29 3HD1 LEU 29 8.448 -4.605 10.280 206 HD21 LEU 29 3HD2 LEU 29 7.890 -2.980 7.534 207 HD22 LEU 29 1HD2 LEU 29 7.141 -3.877 8.855 208 HD23 LEU 29 2HD2 LEU 29 7.143 -4.547 7.224 209 H LEU 30 H LEU 30 13.282 -3.560 7.324 210 HA LEU 30 HA LEU 30 13.712 -0.815 7.519 211 HB2 LEU 30 2HB LEU 30 15.229 -2.456 8.464 212 HB3 LEU 30 3HB LEU 30 15.667 -3.010 6.850 213 HG LEU 30 HG LEU 30 16.824 -0.964 6.391 214 HD11 LEU 30 1HD1 LEU 30 15.332 -0.011 8.750 215 HD12 LEU 30 2HD1 LEU 30 15.804 0.841 7.281 216 HD13 LEU 30 3HD1 LEU 30 16.981 0.589 8.570 217 HD21 LEU 30 3HD2 LEU 30 17.447 -2.568 8.753 218 HD22 LEU 30 1HD2 LEU 30 18.213 -0.980 8.746 219 HD23 LEU 30 2HD2 LEU 30 18.474 -2.090 7.400 220 H LEU 31 H LEU 31 13.767 -2.934 4.745 221 HA LEU 31 HA LEU 31 14.839 -0.830 3.030 222 HB2 LEU 31 2HB LEU 31 14.387 -3.750 2.783 223 HB3 LEU 31 3HB LEU 31 14.314 -2.792 1.305 224 HG LEU 31 HG LEU 31 16.618 -1.926 1.921 225 HD11 LEU 31 1HD1 LEU 31 17.638 -2.581 3.781 226 HD12 LEU 31 2HD1 LEU 31 17.288 -4.278 3.456 227 HD13 LEU 31 3HD1 LEU 31 16.101 -3.278 4.294 228 HD21 LEU 31 3HD2 LEU 31 17.675 -4.205 1.280 229 HD22 LEU 31 1HD2 LEU 31 16.589 -3.407 0.143 230 HD23 LEU 31 2HD2 LEU 31 16.003 -4.745 1.131 231 H GLN 32 H GLN 32 12.025 -1.082 4.344 232 HA GLN 32 HA GLN 32 10.480 -0.630 1.877 233 HB2 GLN 32 2HB GLN 32 9.553 -1.536 4.606 234 HB3 GLN 32 3HB GLN 32 8.472 -1.129 3.280 235 HG2 GLN 32 2HG GLN 32 10.573 -3.131 2.723 236 HG3 GLN 32 3HG GLN 32 9.266 -3.616 3.802 237 HE21 GLN 32 1HE2 GLN 32 10.232 -3.176 0.602 238 HE22 GLN 32 2HE2 GLN 32 8.703 -3.434 -0.158 239 H TYR 33 H TYR 33 12.112 1.388 2.993 240 HA TYR 33 HA TYR 33 10.852 3.146 4.739 241 HB2 TYR 33 2HB TYR 33 12.238 4.920 3.566 242 HB3 TYR 33 3HB TYR 33 13.131 3.544 4.203 243 HD1 TYR 33 HD2 TYR 33 11.621 4.866 1.068 244 HD2 TYR 33 HD1 TYR 33 14.555 2.325 2.812 245 HE1 TYR 33 HE2 TYR 33 12.601 4.482 -1.155 246 HE2 TYR 33 HE1 TYR 33 15.543 1.934 0.594 247 HH TYR 33 HH TYR 33 14.166 2.309 -2.126 248 H ARG 34 H ARG 34 10.184 2.443 1.423 249 HA ARG 34 HA ARG 34 8.782 4.838 0.794 250 HB2 ARG 34 2HB ARG 34 7.872 3.498 -1.111 251 HB3 ARG 34 3HB ARG 34 9.627 3.492 -1.003 252 HG2 ARG 34 2HG ARG 34 9.610 1.283 -0.048 253 HG3 ARG 34 3HG ARG 34 7.847 1.290 0.018 254 HD2 ARG 34 2HD ARG 34 9.559 1.367 -2.463 255 HD3 ARG 34 3HD ARG 34 8.601 0.003 -1.889 256 HE ARG 34 HE ARG 34 6.763 1.961 -2.170 257 HH11 ARG 34 1HH1 ARG 34 9.211 0.670 -4.282 258 HH12 ARG 34 2HH1 ARG 34 8.320 1.000 -5.731 259 HH21 ARG 34 1HH2 ARG 34 5.580 2.400 -4.070 260 HH22 ARG 34 2HH2 ARG 34 6.255 1.985 -5.609 261 H ASP 35 H ASP 35 7.924 1.847 2.356 262 HA ASP 35 HA ASP 35 5.088 2.600 2.356 263 HB2 ASP 35 2HB ASP 35 6.117 0.029 3.503 264 HB3 ASP 35 3HB ASP 35 4.557 0.373 2.760 265 H ALA 36 H ALA 36 6.934 4.089 3.934 266 HA ALA 36 HA ALA 36 7.196 3.349 6.581 267 HB1 ALA 36 1HB ALA 36 6.649 6.078 6.669 268 HB2 ALA 36 2HB ALA 36 8.231 5.315 6.509 269 HB3 ALA 36 3HB ALA 36 7.338 5.802 5.069 270 HA PRO 37 HA PRO 37 2.923 5.346 7.603 271 HB2 PRO 37 2HB PRO 37 1.352 6.092 5.519 272 HB3 PRO 37 3HB PRO 37 2.538 7.171 6.262 273 HG2 PRO 37 2HG PRO 37 2.764 5.544 3.759 274 HG3 PRO 37 3HG PRO 37 3.274 7.216 4.057 275 HD2 PRO 37 2HD PRO 37 5.009 5.137 4.082 276 HD3 PRO 37 3HD PRO 37 5.219 6.568 5.112 277 H LYS 38 H LYS 38 3.113 3.391 4.678 278 HA LYS 38 HA LYS 38 0.599 2.135 4.896 279 HB2 LYS 38 2HB LYS 38 3.119 1.634 3.412 280 HB3 LYS 38 3HB LYS 38 2.036 0.262 3.607 281 HG2 LYS 38 2HG LYS 38 1.186 2.917 2.475 282 HG3 LYS 38 3HG LYS 38 1.725 1.550 1.497 283 HD2 LYS 38 2HD LYS 38 -0.406 1.024 3.486 284 HD3 LYS 38 3HD LYS 38 -0.847 1.995 2.080 285 HE2 LYS 38 2HE LYS 38 -1.203 0.001 1.106 286 HE3 LYS 38 3HE LYS 38 0.549 -0.012 0.907 287 HZ1 LYS 38 3HZ LYS 38 -1.111 -1.667 2.559 288 HZ2 LYS 38 1HZ LYS 38 0.188 -0.995 3.410 289 HZ3 LYS 38 2HZ LYS 38 0.473 -1.921 2.024 290 H VAL 39 H VAL 39 3.837 0.950 5.810 291 HA VAL 39 HA VAL 39 2.933 -1.409 7.052 292 HB VAL 39 HB VAL 39 5.462 0.110 7.699 293 HG11 VAL 39 1HG1 VAL 39 6.190 -1.710 8.819 294 HG12 VAL 39 2HG1 VAL 39 4.463 -2.014 9.015 295 HG13 VAL 39 3HG1 VAL 39 5.366 -2.837 7.742 296 HG21 VAL 39 3HG2 VAL 39 6.198 -0.343 5.653 297 HG22 VAL 39 1HG2 VAL 39 5.936 -2.063 5.942 298 HG23 VAL 39 2HG2 VAL 39 4.648 -1.079 5.246 299 H ALA 40 H ALA 40 3.551 1.835 8.298 300 HA ALA 40 HA ALA 40 3.264 1.242 11.036 301 HB1 ALA 40 1HB ALA 40 2.660 3.740 11.163 302 HB2 ALA 40 2HB ALA 40 4.263 3.293 10.577 303 HB3 ALA 40 3HB ALA 40 3.005 3.760 9.433 304 H GLU 41 H GLU 41 0.918 2.331 8.605 305 HA GLU 41 HA GLU 41 -1.277 2.551 10.361 306 HB2 GLU 41 2HB GLU 41 -1.077 3.495 8.011 307 HB3 GLU 41 3HB GLU 41 -1.442 1.878 7.425 308 HG2 GLU 41 2HG GLU 41 -3.554 1.995 8.805 309 HG3 GLU 41 3HG GLU 41 -3.203 3.708 9.025 310 H MET 42 H MET 42 -0.254 -0.079 8.197 311 HA MET 42 HA MET 42 -2.352 -1.843 8.831 312 HB2 MET 42 2HB MET 42 -0.378 -1.868 6.998 313 HB3 MET 42 3HB MET 42 0.289 -3.006 8.161 314 HG2 MET 42 2HG MET 42 -2.443 -3.225 6.921 315 HG3 MET 42 3HG MET 42 -1.007 -4.080 6.361 316 HE1 MET 42 3HE MET 42 -0.193 -6.370 9.438 317 HE2 MET 42 1HE MET 42 0.351 -5.774 7.869 318 HE3 MET 42 2HE MET 42 0.378 -4.709 9.274 319 H TRP 43 H TRP 43 0.984 -1.678 10.069 320 HA TRP 43 HA TRP 43 0.868 -3.789 11.858 321 HB2 TRP 43 2HB TRP 43 2.937 -2.569 11.291 322 HB3 TRP 43 3HB TRP 43 2.360 -1.179 12.207 323 HD1 TRP 43 HD1 TRP 43 3.678 -4.750 12.709 324 HE1 TRP 43 HE1 TRP 43 4.478 -4.988 15.144 325 HE3 TRP 43 HE3 TRP 43 2.067 -0.255 14.536 326 HZ2 TRP 43 HZ2 TRP 43 4.432 -3.471 17.524 327 HZ3 TRP 43 HZ3 TRP 43 2.484 0.274 16.902 328 HH2 TRP 43 HH2 TRP 43 3.642 -1.302 18.364 329 H LYS 44 H LYS 44 0.217 -0.349 12.531 330 HA LYS 44 HA LYS 44 -0.534 -0.648 15.201 331 HB2 LYS 44 2HB LYS 44 -0.101 1.543 14.389 332 HB3 LYS 44 3HB LYS 44 -1.302 1.386 13.113 333 HG2 LYS 44 2HG LYS 44 -3.083 1.386 14.777 334 HG3 LYS 44 3HG LYS 44 -1.885 1.521 16.066 335 HD2 LYS 44 2HD LYS 44 -1.367 3.706 15.536 336 HD3 LYS 44 3HD LYS 44 -1.903 3.537 13.862 337 HE2 LYS 44 2HE LYS 44 -3.768 3.473 16.228 338 HE3 LYS 44 3HE LYS 44 -3.381 4.942 15.333 339 HZ1 LYS 44 3HZ LYS 44 -4.396 4.109 13.408 340 HZ2 LYS 44 1HZ LYS 44 -5.467 3.720 14.659 341 HZ3 LYS 44 2HZ LYS 44 -4.461 2.528 14.005 342 H GLU 45 H GLU 45 -2.671 -0.349 12.356 343 HA GLU 45 HA GLU 45 -5.087 -0.782 13.624 344 HB2 GLU 45 2HB GLU 45 -4.089 -1.194 10.850 345 HB3 GLU 45 3HB GLU 45 -5.634 -1.917 11.274 346 HG2 GLU 45 2HG GLU 45 -6.347 0.360 12.081 347 HG3 GLU 45 3HG GLU 45 -4.881 0.989 11.329 348 H TYR 46 H TYR 46 -2.609 -3.066 12.762 349 HA TYR 46 HA TYR 46 -4.283 -5.381 13.170 350 HB2 TYR 46 2HB TYR 46 -2.582 -5.736 11.588 351 HB3 TYR 46 3HB TYR 46 -1.359 -4.974 12.598 352 HD1 TYR 46 HD2 TYR 46 -3.340 -8.028 12.066 353 HD2 TYR 46 HD1 TYR 46 -0.207 -6.215 14.302 354 HE1 TYR 46 HE2 TYR 46 -2.675 -10.239 12.916 355 HE2 TYR 46 HE1 TYR 46 0.468 -8.420 15.157 356 HH TYR 46 HH TYR 46 0.200 -10.902 14.261 357 H MET 47 H MET 47 -1.904 -3.545 14.987 358 HA MET 47 HA MET 47 -1.692 -5.410 17.137 359 HB2 MET 47 2HB MET 47 -0.971 -2.485 16.928 360 HB3 MET 47 3HB MET 47 -0.623 -3.477 18.337 361 HG2 MET 47 2HG MET 47 0.326 -4.324 15.637 362 HG3 MET 47 3HG MET 47 1.203 -3.094 16.545 363 HE1 MET 47 3HE MET 47 1.853 -3.233 18.763 364 HE2 MET 47 1HE MET 47 1.516 -4.578 19.854 365 HE3 MET 47 2HE MET 47 3.077 -4.473 19.041 366 H LEU 48 H LEU 48 -3.932 -2.936 16.289 367 HA LEU 48 HA LEU 48 -5.043 -2.829 18.990 368 HB2 LEU 48 2HB LEU 48 -5.896 -1.328 16.521 369 HB3 LEU 48 3HB LEU 48 -6.427 -1.024 18.174 370 HG LEU 48 HG LEU 48 -3.592 -0.668 17.207 371 HD11 LEU 48 1HD1 LEU 48 -4.318 1.814 17.612 372 HD12 LEU 48 2HD1 LEU 48 -5.928 1.181 17.270 373 HD13 LEU 48 3HD1 LEU 48 -4.646 1.022 16.070 374 HD21 LEU 48 3HD2 LEU 48 -3.072 -0.391 19.345 375 HD22 LEU 48 1HD2 LEU 48 -4.722 -0.827 19.791 376 HD23 LEU 48 2HD2 LEU 48 -4.303 0.862 19.507 377 H ARG 49 H ARG 49 -5.220 -5.262 17.422 378 HA ARG 49 HA ARG 49 -8.080 -5.398 16.787 379 HB2 ARG 49 2HB ARG 49 -5.914 -7.442 16.269 380 HB3 ARG 49 3HB ARG 49 -7.572 -7.511 15.688 381 HG2 ARG 49 2HG ARG 49 -5.748 -5.244 14.970 382 HG3 ARG 49 3HG ARG 49 -5.768 -6.753 14.056 383 HD2 ARG 49 2HD ARG 49 -8.280 -6.409 13.850 384 HD3 ARG 49 3HD ARG 49 -7.997 -4.772 14.440 385 HE ARG 49 HE ARG 49 -7.122 -4.219 12.395 386 HH11 ARG 49 1HH1 ARG 49 -7.357 -7.683 12.649 387 HH12 ARG 49 2HH1 ARG 49 -6.965 -7.962 10.985 388 HH21 ARG 49 1HH2 ARG 49 -6.605 -4.574 10.202 389 HH22 ARG 49 2HH2 ARG 49 -6.537 -6.193 9.594 390 HA PRO 50 HA PRO 50 -8.903 -7.407 20.632 391 HB2 PRO 50 2HB PRO 50 -11.341 -8.422 20.004 392 HB3 PRO 50 3HB PRO 50 -11.073 -6.709 20.347 393 HG2 PRO 50 2HG PRO 50 -11.311 -8.098 17.706 394 HG3 PRO 50 3HG PRO 50 -12.015 -6.556 18.226 395 HD2 PRO 50 2HD PRO 50 -9.787 -6.696 16.694 396 HD3 PRO 50 3HD PRO 50 -10.054 -5.397 17.874 397 H SER 51 H SER 51 -8.630 -9.011 17.605 398 HA SER 51 HA SER 51 -8.986 -11.672 18.691 399 HB2 SER 51 2HB SER 51 -9.711 -11.290 16.411 400 HB3 SER 51 3HB SER 51 -8.108 -10.710 15.959 401 HG SER 51 HG SER 51 -8.351 -12.865 15.339 402 H VAL 52 H VAL 52 -6.366 -9.516 17.834 403 HA VAL 52 HA VAL 52 -4.258 -11.382 17.870 404 HB VAL 52 HB VAL 52 -4.287 -8.416 18.414 405 HG11 VAL 52 1HG1 VAL 52 -2.371 -9.088 19.557 406 HG12 VAL 52 2HG1 VAL 52 -2.006 -10.362 18.391 407 HG13 VAL 52 3HG1 VAL 52 -1.769 -8.669 17.953 408 HG21 VAL 52 3HG2 VAL 52 -4.857 -9.105 16.133 409 HG22 VAL 52 1HG2 VAL 52 -3.308 -8.264 16.187 410 HG23 VAL 52 2HG2 VAL 52 -3.353 -10.020 16.034 411 H ASN 53 H ASN 53 -3.097 -12.278 19.476 412 HA ASN 53 HA ASN 53 -4.047 -11.925 22.192 413 HB2 ASN 53 2HB ASN 53 -1.907 -13.774 21.115 414 HB3 ASN 53 3HB ASN 53 -2.622 -13.841 22.724 415 HD21 ASN 53 1HD2 ASN 53 -4.134 -15.304 22.967 416 HD22 ASN 53 2HD2 ASN 53 -5.166 -15.925 21.728 417 H THR 54 H THR 54 -2.365 -11.859 23.970 418 HA THR 54 HA THR 54 -0.925 -9.472 23.836 419 HB THR 54 HB THR 54 0.147 -11.390 25.776 420 HG1 THR 54 HG1 THR 54 -1.697 -12.009 26.660 421 HG21 THR 54 3HG2 THR 54 -1.168 -8.683 25.890 422 HG22 THR 54 1HG2 THR 54 0.534 -9.076 26.126 423 HG23 THR 54 2HG2 THR 54 -0.658 -9.560 27.332 424 H ARG 55 H ARG 55 0.219 -12.829 23.604 425 HA ARG 55 HA ARG 55 2.935 -12.405 23.455 426 HB2 ARG 55 2HB ARG 55 1.839 -14.629 23.518 427 HB3 ARG 55 3HB ARG 55 1.360 -14.417 21.840 428 HG2 ARG 55 2HG ARG 55 3.826 -14.175 21.313 429 HG3 ARG 55 3HG ARG 55 4.126 -14.753 22.953 430 HD2 ARG 55 2HD ARG 55 2.674 -16.742 22.372 431 HD3 ARG 55 3HD ARG 55 2.752 -16.194 20.698 432 HE ARG 55 HE ARG 55 5.333 -16.475 21.913 433 HH11 ARG 55 1HH1 ARG 55 2.758 -18.159 20.284 434 HH12 ARG 55 2HH1 ARG 55 3.784 -19.423 19.691 435 HH21 ARG 55 1HH2 ARG 55 6.694 -18.134 21.138 436 HH22 ARG 55 2HH2 ARG 55 6.022 -19.408 20.178 437 H ARG 56 H ARG 56 0.671 -12.555 20.702 438 HA ARG 56 HA ARG 56 2.464 -11.990 18.672 439 HB2 ARG 56 2HB ARG 56 -0.471 -11.426 18.993 440 HB3 ARG 56 3HB ARG 56 0.391 -10.930 17.542 441 HG2 ARG 56 2HG ARG 56 0.552 -13.758 18.491 442 HG3 ARG 56 3HG ARG 56 -0.851 -13.197 17.580 443 HD2 ARG 56 2HD ARG 56 0.337 -12.922 15.654 444 HD3 ARG 56 3HD ARG 56 1.834 -12.542 16.504 445 HE ARG 56 HE ARG 56 2.396 -14.740 16.337 446 HH11 ARG 56 1HH1 ARG 56 -1.067 -14.473 16.103 447 HH12 ARG 56 2HH1 ARG 56 -1.308 -16.162 15.802 448 HH21 ARG 56 1HH2 ARG 56 2.092 -16.966 15.943 449 HH22 ARG 56 2HH2 ARG 56 0.490 -17.580 15.713 450 H LYS 57 H LYS 57 0.610 -9.732 20.683 451 HA LYS 57 HA LYS 57 1.350 -7.354 19.439 452 HB2 LYS 57 2HB LYS 57 0.848 -7.812 22.386 453 HB3 LYS 57 3HB LYS 57 0.802 -6.258 21.564 454 HG2 LYS 57 2HG LYS 57 -0.961 -7.785 20.105 455 HG3 LYS 57 3HG LYS 57 -1.229 -8.326 21.764 456 HD2 LYS 57 2HD LYS 57 -1.620 -6.050 22.482 457 HD3 LYS 57 3HD LYS 57 -1.228 -5.443 20.871 458 HE2 LYS 57 2HE LYS 57 -3.164 -6.470 19.933 459 HE3 LYS 57 3HE LYS 57 -3.484 -7.361 21.420 460 HZ1 LYS 57 3HZ LYS 57 -4.938 -5.638 21.639 461 HZ2 LYS 57 1HZ LYS 57 -3.961 -4.537 20.806 462 HZ3 LYS 57 2HZ LYS 57 -3.594 -4.954 22.404 463 H LEU 58 H LEU 58 2.848 -8.874 22.299 464 HA LEU 58 HA LEU 58 4.930 -7.117 22.687 465 HB2 LEU 58 2HB LEU 58 4.520 -8.843 24.270 466 HB3 LEU 58 3HB LEU 58 4.804 -10.099 23.066 467 HG LEU 58 HG LEU 58 7.188 -8.637 23.200 468 HD11 LEU 58 1HD1 LEU 58 7.640 -9.056 25.709 469 HD12 LEU 58 2HD1 LEU 58 5.887 -8.961 25.874 470 HD13 LEU 58 3HD1 LEU 58 6.787 -7.590 25.227 471 HD21 LEU 58 3HD2 LEU 58 7.972 -10.765 24.354 472 HD22 LEU 58 1HD2 LEU 58 7.214 -10.947 22.771 473 HD23 LEU 58 2HD2 LEU 58 6.299 -11.314 24.234 474 H LEU 59 H LEU 59 5.014 -10.080 20.706 475 HA LEU 59 HA LEU 59 7.592 -9.883 19.744 476 HB2 LEU 59 2HB LEU 59 5.077 -11.091 18.740 477 HB3 LEU 59 3HB LEU 59 6.410 -10.931 17.598 478 HG LEU 59 HG LEU 59 6.495 -12.436 20.213 479 HD11 LEU 59 1HD1 LEU 59 5.136 -13.593 18.596 480 HD12 LEU 59 2HD1 LEU 59 6.687 -14.416 18.748 481 HD13 LEU 59 3HD1 LEU 59 6.371 -13.383 17.354 482 HD21 LEU 59 3HD2 LEU 59 8.631 -13.226 18.677 483 HD22 LEU 59 1HD2 LEU 59 8.697 -12.112 20.043 484 HD23 LEU 59 2HD2 LEU 59 8.568 -11.484 18.399 485 H GLY 60 H GLY 60 4.633 -8.507 18.319 486 HA2 GLY 60 2HA GLY 60 5.811 -7.318 16.081 487 HA3 GLY 60 3HA GLY 60 4.331 -6.768 16.853 488 H LEU 61 H LEU 61 5.560 -6.164 19.396 489 HA LEU 61 HA LEU 61 6.301 -3.493 18.928 490 HB2 LEU 61 2HB LEU 61 5.401 -4.739 21.063 491 HB3 LEU 61 3HB LEU 61 7.118 -4.889 21.432 492 HG LEU 61 HG LEU 61 6.128 -2.981 22.577 493 HD11 LEU 61 1HD1 LEU 61 8.494 -3.016 21.380 494 HD12 LEU 61 2HD1 LEU 61 7.898 -1.596 22.239 495 HD13 LEU 61 3HD1 LEU 61 7.774 -1.680 20.481 496 HD21 LEU 61 3HD2 LEU 61 5.770 -1.254 20.297 497 HD22 LEU 61 1HD2 LEU 61 4.667 -1.603 21.628 498 HD23 LEU 61 2HD2 LEU 61 4.695 -2.651 20.209 499 H TYR 62 H TYR 62 8.234 -6.363 19.700 500 HA TYR 62 HA TYR 62 10.720 -5.001 19.808 501 HB2 TYR 62 2HB TYR 62 9.904 -7.878 19.565 502 HB3 TYR 62 3HB TYR 62 11.593 -7.423 19.366 503 HD1 TYR 62 HD2 TYR 62 12.536 -5.867 21.295 504 HD2 TYR 62 HD1 TYR 62 9.161 -8.429 21.680 505 HE1 TYR 62 HE2 TYR 62 12.829 -5.876 23.737 506 HE2 TYR 62 HE1 TYR 62 9.444 -8.444 24.124 507 HH TYR 62 HH TYR 62 12.240 -7.022 25.658 508 H LEU 63 H LEU 63 8.910 -6.558 17.231 509 HA LEU 63 HA LEU 63 10.959 -6.591 15.293 510 HB2 LEU 63 2HB LEU 63 9.002 -7.937 14.999 511 HB3 LEU 63 3HB LEU 63 7.960 -6.515 15.035 512 HG LEU 63 HG LEU 63 8.493 -7.690 12.775 513 HD11 LEU 63 1HD1 LEU 63 8.949 -4.872 12.308 514 HD12 LEU 63 2HD1 LEU 63 7.687 -5.143 13.510 515 HD13 LEU 63 3HD1 LEU 63 7.552 -5.872 11.910 516 HD21 LEU 63 3HD2 LEU 63 11.037 -7.359 13.408 517 HD22 LEU 63 1HD2 LEU 63 10.772 -5.786 12.653 518 HD23 LEU 63 2HD2 LEU 63 10.480 -7.265 11.736 519 H MET 64 H MET 64 8.227 -4.329 15.691 520 HA MET 64 HA MET 64 9.081 -2.514 13.720 521 HB2 MET 64 2HB MET 64 7.391 -1.070 14.503 522 HB3 MET 64 3HB MET 64 6.782 -2.690 14.814 523 HG2 MET 64 2HG MET 64 6.303 -1.803 16.823 524 HG3 MET 64 3HG MET 64 7.980 -2.230 17.155 525 HE1 MET 64 3HE MET 64 7.129 -0.312 19.176 526 HE2 MET 64 1HE MET 64 6.893 1.384 18.755 527 HE3 MET 64 2HE MET 64 5.722 0.175 18.229 528 H ASN 65 H ASN 65 9.868 -2.844 17.116 529 HA ASN 65 HA ASN 65 11.075 -0.310 17.466 530 HB2 ASN 65 2HB ASN 65 10.352 -1.796 19.330 531 HB3 ASN 65 3HB ASN 65 11.685 -2.879 18.943 532 HD21 ASN 65 1HD2 ASN 65 11.768 -2.118 21.390 533 HD22 ASN 65 2HD2 ASN 65 12.909 -0.853 21.678 534 H HIS 66 H HIS 66 12.364 -3.479 16.553 535 HA HIS 66 HA HIS 66 15.081 -2.682 16.471 536 HB2 HIS 66 2HB HIS 66 13.940 -5.072 16.452 537 HB3 HIS 66 3HB HIS 66 14.078 -4.874 14.708 538 HD1 HIS 66 HD1 HIS 66 16.503 -4.193 17.572 539 HD2 HIS 66 HD2 HIS 66 16.308 -6.161 13.918 540 HE1 HIS 66 HE1 HIS 66 18.792 -5.170 17.211 541 H VAL 67 H VAL 67 12.530 -2.827 14.029 542 HA VAL 67 HA VAL 67 14.129 -2.207 11.796 543 HB VAL 67 HB VAL 67 11.213 -1.515 12.167 544 HG11 VAL 67 1HG1 VAL 67 12.883 -0.822 10.126 545 HG12 VAL 67 2HG1 VAL 67 12.202 -2.340 9.537 546 HG13 VAL 67 3HG1 VAL 67 11.135 -1.009 9.984 547 HG21 VAL 67 3HG2 VAL 67 11.586 -3.887 10.648 548 HG22 VAL 67 1HG2 VAL 67 12.463 -4.062 12.169 549 HG23 VAL 67 2HG2 VAL 67 10.740 -3.685 12.182 550 H VAL 68 H VAL 68 12.140 -0.121 13.884 551 HA VAL 68 HA VAL 68 12.730 2.300 12.587 552 HB VAL 68 HB VAL 68 12.005 1.847 15.485 553 HG11 VAL 68 1HG1 VAL 68 12.999 4.045 15.130 554 HG12 VAL 68 2HG1 VAL 68 11.865 4.355 13.813 555 HG13 VAL 68 3HG1 VAL 68 11.274 4.181 15.466 556 HG21 VAL 68 3HG2 VAL 68 10.508 1.363 13.189 557 HG22 VAL 68 1HG2 VAL 68 9.902 1.512 14.838 558 HG23 VAL 68 2HG2 VAL 68 9.934 2.923 13.780 559 H GLN 69 H GLN 69 14.251 0.719 15.378 560 HA GLN 69 HA GLN 69 16.086 2.709 16.029 561 HB2 GLN 69 2HB GLN 69 15.916 -0.226 16.456 562 HB3 GLN 69 3HB GLN 69 17.487 0.526 16.699 563 HG2 GLN 69 2HG GLN 69 16.414 2.119 18.274 564 HG3 GLN 69 3HG GLN 69 14.917 1.205 18.105 565 HE21 GLN 69 1HE2 GLN 69 14.759 0.465 20.159 566 HE22 GLN 69 2HE2 GLN 69 15.890 -0.620 20.885 567 H GLN 70 H GLN 70 16.247 0.165 13.599 568 HA GLN 70 HA GLN 70 18.975 0.674 12.899 569 HB2 GLN 70 2HB GLN 70 16.760 -0.986 11.767 570 HB3 GLN 70 3HB GLN 70 18.179 -0.668 10.779 571 HG2 GLN 70 2HG GLN 70 18.406 -1.775 13.554 572 HG3 GLN 70 3HG GLN 70 18.138 -2.811 12.154 573 HE21 GLN 70 1HE2 GLN 70 19.682 -1.855 10.242 574 HE22 GLN 70 2HE2 GLN 70 21.347 -1.848 10.703 575 H ALA 71 H ALA 71 15.864 1.855 11.849 576 HA ALA 71 HA ALA 71 16.432 2.913 9.369 577 HB1 ALA 71 1HB ALA 71 14.840 4.813 10.754 578 HB2 ALA 71 2HB ALA 71 14.333 3.588 9.590 579 HB3 ALA 71 3HB ALA 71 14.386 3.202 11.310 580 H LYS 72 H LYS 72 17.404 4.064 12.519 581 HA LYS 72 HA LYS 72 18.135 6.685 11.862 582 HB2 LYS 72 2HB LYS 72 18.985 4.747 13.980 583 HB3 LYS 72 3HB LYS 72 19.863 6.259 13.793 584 HG2 LYS 72 2HG LYS 72 16.894 6.333 13.998 585 HG3 LYS 72 3HG LYS 72 17.854 6.065 15.455 586 HD2 LYS 72 2HD LYS 72 18.321 8.357 13.554 587 HD3 LYS 72 3HD LYS 72 17.274 8.466 14.972 588 HE2 LYS 72 2HE LYS 72 19.266 7.695 16.331 589 HE3 LYS 72 3HE LYS 72 20.240 7.959 14.885 590 HZ1 LYS 72 3HZ LYS 72 18.730 10.250 15.246 591 HZ2 LYS 72 1HZ LYS 72 20.395 10.070 15.484 592 HZ3 LYS 72 2HZ LYS 72 19.327 9.849 16.777 593 H GLY 73 H GLY 73 19.840 3.631 11.483 594 HA2 GLY 73 2HA GLY 73 22.298 4.915 10.655 595 HA3 GLY 73 3HA GLY 73 21.975 3.188 10.673 596 H GLN 74 H GLN 74 19.430 3.732 9.125 597 HA GLN 74 HA GLN 74 20.696 3.668 6.500 598 HB2 GLN 74 2HB GLN 74 17.802 3.159 7.197 599 HB3 GLN 74 3HB GLN 74 18.615 2.759 5.690 600 HG2 GLN 74 2HG GLN 74 18.960 1.486 8.383 601 HG3 GLN 74 3HG GLN 74 18.416 0.745 6.880 602 HE21 GLN 74 1HE2 GLN 74 20.595 -0.017 8.666 603 HE22 GLN 74 2HE2 GLN 74 22.026 -0.018 7.699 604 H LYS 75 H LYS 75 19.587 6.020 8.431 605 HA LYS 75 HA LYS 75 18.948 8.180 8.112 606 HB2 LYS 75 2HB LYS 75 19.427 7.705 5.170 607 HB3 LYS 75 3HB LYS 75 19.451 9.243 6.022 608 HG2 LYS 75 2HG LYS 75 21.396 7.013 6.558 609 HG3 LYS 75 3HG LYS 75 21.695 8.328 5.420 610 HD2 LYS 75 2HD LYS 75 20.880 8.985 8.213 611 HD3 LYS 75 3HD LYS 75 22.541 8.477 7.902 612 HE2 LYS 75 2HE LYS 75 22.701 10.255 6.176 613 HE3 LYS 75 3HE LYS 75 21.089 10.798 6.637 614 HZ1 LYS 75 3HZ LYS 75 23.623 11.120 8.027 615 HZ2 LYS 75 1HZ LYS 75 22.278 10.799 9.002 616 HZ3 LYS 75 2HZ LYS 75 22.277 12.144 7.976 617 H ILE 76 H ILE 76 16.860 6.653 8.511 618 HA ILE 76 HA ILE 76 14.903 7.438 6.449 619 HB ILE 76 HB ILE 76 14.490 5.148 8.354 620 HG12 ILE 76 2HG1 ILE 76 16.533 4.684 7.071 621 HG13 ILE 76 3HG1 ILE 76 15.217 3.627 6.571 622 HG21 ILE 76 1HG2 ILE 76 12.447 5.653 7.440 623 HG22 ILE 76 2HG2 ILE 76 13.143 6.209 5.919 624 HG23 ILE 76 3HG2 ILE 76 13.050 4.483 6.266 625 HD11 ILE 76 3HD1 ILE 76 14.888 4.847 4.569 626 HD12 ILE 76 1HD1 ILE 76 15.958 6.142 5.108 627 HD13 ILE 76 2HD1 ILE 76 16.620 4.554 4.722 628 H ILE 77 H ILE 77 13.693 9.071 7.123 629 HA ILE 77 HA ILE 77 13.150 9.367 9.992 630 HB ILE 77 HB ILE 77 12.781 11.364 7.756 631 HG12 ILE 77 2HG1 ILE 77 14.660 12.485 9.246 632 HG13 ILE 77 3HG1 ILE 77 14.985 10.815 9.697 633 HG21 ILE 77 1HG2 ILE 77 11.940 11.319 10.560 634 HG22 ILE 77 2HG2 ILE 77 12.804 12.780 10.082 635 HG23 ILE 77 3HG2 ILE 77 11.350 12.291 9.212 636 HD11 ILE 77 3HD1 ILE 77 15.868 12.205 7.425 637 HD12 ILE 77 1HD1 ILE 77 16.121 10.508 7.830 638 HD13 ILE 77 2HD1 ILE 77 14.725 10.986 6.863 639 H GLN 78 H GLN 78 11.642 8.707 6.950 640 HA GLN 78 HA GLN 78 8.991 9.405 7.548 641 HB2 GLN 78 2HB GLN 78 10.190 8.537 5.330 642 HB3 GLN 78 3HB GLN 78 9.511 7.006 5.866 643 HG2 GLN 78 2HG GLN 78 7.991 8.031 4.336 644 HG3 GLN 78 3HG GLN 78 7.282 8.070 5.950 645 HE21 GLN 78 1HE2 GLN 78 9.112 10.014 3.638 646 HE22 GLN 78 2HE2 GLN 78 8.455 11.536 4.126 647 H PHE 79 H PHE 79 10.842 6.472 8.181 648 HA PHE 79 HA PHE 79 8.634 4.956 9.147 649 HB2 PHE 79 2HB PHE 79 11.521 4.602 8.863 650 HB3 PHE 79 3HB PHE 79 10.880 3.849 10.320 651 HD1 PHE 79 HD2 PHE 79 8.362 2.773 9.644 652 HD2 PHE 79 HD1 PHE 79 11.843 3.053 7.211 653 HE1 PHE 79 HE2 PHE 79 7.580 0.860 8.311 654 HE2 PHE 79 HE1 PHE 79 11.066 1.140 5.873 655 HZ PHE 79 HZ PHE 79 8.932 0.040 6.423 656 H GLN 80 H GLN 80 11.000 7.084 10.628 657 HA GLN 80 HA GLN 80 10.557 6.436 13.314 658 HB2 GLN 80 2HB GLN 80 11.417 9.015 12.006 659 HB3 GLN 80 3HB GLN 80 11.371 8.793 13.750 660 HG2 GLN 80 2HG GLN 80 12.933 6.869 13.470 661 HG3 GLN 80 3HG GLN 80 13.073 7.306 11.767 662 HE21 GLN 80 1HE2 GLN 80 15.295 7.219 13.324 663 HE22 GLN 80 2HE2 GLN 80 15.893 8.816 13.598 664 H ASP 81 H ASP 81 9.049 8.948 11.296 665 HA ASP 81 HA ASP 81 7.243 9.774 13.354 666 HB2 ASP 81 2HB ASP 81 7.955 11.319 11.587 667 HB3 ASP 81 3HB ASP 81 7.184 10.300 10.375 668 H SER 82 H SER 82 7.087 7.574 10.618 669 HA SER 82 HA SER 82 4.302 7.156 10.615 670 HB2 SER 82 2HB SER 82 6.669 5.687 9.542 671 HB3 SER 82 3HB SER 82 5.126 4.836 9.615 672 HG SER 82 HG SER 82 4.259 6.730 8.478 673 H PHE 83 H PHE 83 6.919 5.223 12.070 674 HA PHE 83 HA PHE 83 5.060 3.527 13.459 675 HB2 PHE 83 2HB PHE 83 8.014 3.716 13.197 676 HB3 PHE 83 3HB PHE 83 7.390 2.937 14.648 677 HD1 PHE 83 HD1 PHE 83 5.170 1.393 13.868 678 HD2 PHE 83 HD2 PHE 83 8.731 2.173 11.670 679 HE1 PHE 83 HE1 PHE 83 4.846 -0.696 12.608 680 HE2 PHE 83 HE2 PHE 83 8.412 0.086 10.406 681 HZ PHE 83 HZ PHE 83 6.467 -1.351 10.874 682 H GLY 84 H GLY 84 6.723 6.481 14.115 683 HA2 GLY 84 2HA GLY 84 6.568 6.309 16.978 684 HA3 GLY 84 3HA GLY 84 6.965 7.740 16.038 685 H LYS 85 H LYS 85 4.646 7.891 14.459 686 HA LYS 85 HA LYS 85 2.898 9.218 16.266 687 HB2 LYS 85 2HB LYS 85 1.652 9.858 14.368 688 HB3 LYS 85 3HB LYS 85 3.322 9.791 13.819 689 HG2 LYS 85 2HG LYS 85 2.673 7.347 13.133 690 HG3 LYS 85 3HG LYS 85 1.035 8.004 13.163 691 HD2 LYS 85 2HD LYS 85 3.255 9.379 11.680 692 HD3 LYS 85 3HD LYS 85 2.321 8.076 10.943 693 HE2 LYS 85 2HE LYS 85 0.998 10.463 12.197 694 HE3 LYS 85 3HE LYS 85 1.553 10.482 10.523 695 HZ1 LYS 85 3HZ LYS 85 -0.463 9.656 10.092 696 HZ2 LYS 85 1HZ LYS 85 -0.732 9.165 11.689 697 HZ3 LYS 85 2HZ LYS 85 0.161 8.182 10.641 698 H VAL 86 H VAL 86 3.216 5.985 15.417 699 HA VAL 86 HA VAL 86 0.436 5.413 16.216 700 HB VAL 86 HB VAL 86 0.572 3.316 15.016 701 HG11 VAL 86 1HG1 VAL 86 0.468 4.135 12.809 702 HG12 VAL 86 2HG1 VAL 86 -0.006 5.489 13.837 703 HG13 VAL 86 3HG1 VAL 86 1.618 5.427 13.150 704 HG21 VAL 86 3HG2 VAL 86 2.837 2.679 15.275 705 HG22 VAL 86 1HG2 VAL 86 2.585 2.901 13.543 706 HG23 VAL 86 2HG2 VAL 86 3.416 4.143 14.481 707 H ALA 87 H ALA 87 3.681 5.191 17.114 708 HA ALA 87 HA ALA 87 3.623 2.765 18.595 709 HB1 ALA 87 1HB ALA 87 5.794 3.258 18.357 710 HB2 ALA 87 2HB ALA 87 5.484 4.988 18.203 711 HB3 ALA 87 3HB ALA 87 5.570 4.247 19.801 712 H ALA 88 H ALA 88 3.270 6.179 19.530 713 HA ALA 88 HA ALA 88 2.917 5.750 22.279 714 HB1 ALA 88 1HB ALA 88 3.412 7.943 21.281 715 HB2 ALA 88 2HB ALA 88 1.783 7.988 20.605 716 HB3 ALA 88 3HB ALA 88 2.013 7.997 22.354 717 H GLU 89 H GLU 89 0.703 5.520 19.588 718 HA GLU 89 HA GLU 89 -1.673 5.477 21.190 719 HB2 GLU 89 2HB GLU 89 -1.484 6.121 18.719 720 HB3 GLU 89 3HB GLU 89 -1.416 4.395 18.391 721 HG2 GLU 89 2HG GLU 89 -3.668 5.344 18.123 722 HG3 GLU 89 3HG GLU 89 -3.596 4.070 19.339 723 H VAL 90 H VAL 90 0.045 2.974 19.318 724 HA VAL 90 HA VAL 90 -1.487 0.807 20.235 725 HB VAL 90 HB VAL 90 1.381 0.796 19.283 726 HG11 VAL 90 1HG1 VAL 90 1.193 -1.297 20.181 727 HG12 VAL 90 2HG1 VAL 90 -0.556 -1.360 19.953 728 HG13 VAL 90 3HG1 VAL 90 0.524 -1.600 18.578 729 HG21 VAL 90 3HG2 VAL 90 -0.563 -0.192 17.406 730 HG22 VAL 90 1HG2 VAL 90 -0.960 1.454 17.901 731 HG23 VAL 90 2HG2 VAL 90 0.624 1.098 17.213 732 H LEU 91 H LEU 91 1.653 2.050 21.354 733 HA LEU 91 HA LEU 91 2.221 0.204 23.317 734 HB2 LEU 91 2HB LEU 91 2.755 3.152 23.142 735 HB3 LEU 91 3HB LEU 91 3.321 2.191 24.507 736 HG LEU 91 HG LEU 91 4.042 1.479 21.680 737 HD11 LEU 91 1HD1 LEU 91 5.468 3.166 21.493 738 HD12 LEU 91 2HD1 LEU 91 6.154 2.827 23.082 739 HD13 LEU 91 3HD1 LEU 91 4.746 3.879 22.936 740 HD21 LEU 91 3HD2 LEU 91 5.358 0.946 24.341 741 HD22 LEU 91 1HD2 LEU 91 5.928 0.385 22.769 742 HD23 LEU 91 2HD2 LEU 91 4.397 -0.208 23.415 743 H GLY 92 H GLY 92 0.257 3.155 23.620 744 HA2 GLY 92 2HA GLY 92 -0.326 2.921 26.352 745 HA3 GLY 92 3HA GLY 92 -1.311 3.776 25.175 746 H ARG 93 H ARG 93 -1.989 1.585 23.528 747 HA ARG 93 HA ARG 93 -4.188 0.540 24.998 748 HB2 ARG 93 2HB ARG 93 -3.128 0.235 22.228 749 HB3 ARG 93 3HB ARG 93 -4.264 -0.973 22.814 750 HG2 ARG 93 2HG ARG 93 -4.875 1.951 23.011 751 HG3 ARG 93 3HG ARG 93 -5.180 1.044 21.529 752 HD2 ARG 93 2HD ARG 93 -6.613 -0.499 22.748 753 HD3 ARG 93 3HD ARG 93 -6.274 0.354 24.253 754 HE ARG 93 HE ARG 93 -7.765 1.989 23.634 755 HH11 ARG 93 1HH1 ARG 93 -7.076 -0.060 20.905 756 HH12 ARG 93 2HH1 ARG 93 -8.329 0.615 19.917 757 HH21 ARG 93 1HH2 ARG 93 -9.417 2.885 22.343 758 HH22 ARG 93 2HH2 ARG 93 -9.659 2.291 20.735 759 H ILE 94 H ILE 94 -1.360 -1.053 23.516 760 HA ILE 94 HA ILE 94 -1.860 -3.609 24.542 761 HB ILE 94 HB ILE 94 0.419 -4.155 24.002 762 HG12 ILE 94 2HG1 ILE 94 0.869 -1.171 23.787 763 HG13 ILE 94 3HG1 ILE 94 1.525 -2.230 25.030 764 HG21 ILE 94 1HG2 ILE 94 -0.002 -2.236 21.825 765 HG22 ILE 94 2HG2 ILE 94 0.124 -3.994 21.783 766 HG23 ILE 94 3HG2 ILE 94 -1.406 -3.230 22.215 767 HD11 ILE 94 3HD1 ILE 94 2.476 -3.470 22.868 768 HD12 ILE 94 1HD1 ILE 94 2.374 -1.826 22.237 769 HD13 ILE 94 2HD1 ILE 94 3.328 -2.159 23.683 770 H ASN 95 H ASN 95 -0.406 -0.795 25.984 771 HA ASN 95 HA ASN 95 0.961 -2.041 28.107 772 HB2 ASN 95 2HB ASN 95 1.485 0.230 27.654 773 HB3 ASN 95 3HB ASN 95 -0.201 0.722 27.776 774 HD21 ASN 95 1HD2 ASN 95 -0.956 1.395 29.677 775 HD22 ASN 95 2HD2 ASN 95 -0.086 1.333 31.169 776 H GLN 96 H GLN 96 -2.391 -1.188 27.636 777 HA GLN 96 HA GLN 96 -3.128 -1.569 30.389 778 HB2 GLN 96 2HB GLN 96 -4.802 -1.326 27.885 779 HB3 GLN 96 3HB GLN 96 -5.457 -1.401 29.515 780 HG2 GLN 96 2HG GLN 96 -4.291 0.660 30.088 781 HG3 GLN 96 3HG GLN 96 -3.617 0.734 28.460 782 HE21 GLN 96 1HE2 GLN 96 -4.581 2.266 27.351 783 HE22 GLN 96 2HE2 GLN 96 -6.275 2.607 27.339 784 H GLU 97 H GLU 97 -3.459 -3.425 27.385 785 HA GLU 97 HA GLU 97 -4.817 -5.613 28.594 786 HB2 GLU 97 2HB GLU 97 -3.187 -5.732 26.060 787 HB3 GLU 97 3HB GLU 97 -4.562 -6.732 26.508 788 HG2 GLU 97 2HG GLU 97 -5.736 -4.330 26.569 789 HG3 GLU 97 3HG GLU 97 -4.483 -4.013 25.371 790 H PHE 98 H PHE 98 -1.462 -4.779 28.121 791 HA PHE 98 HA PHE 98 -0.355 -7.340 28.591 792 HB2 PHE 98 2HB PHE 98 0.678 -4.541 28.592 793 HB3 PHE 98 3HB PHE 98 1.665 -5.788 29.347 794 HD1 PHE 98 HD2 PHE 98 -0.515 -6.409 26.455 795 HD2 PHE 98 HD1 PHE 98 3.461 -5.674 27.785 796 HE1 PHE 98 HE2 PHE 98 0.342 -7.062 24.243 797 HE2 PHE 98 HE1 PHE 98 4.324 -6.325 25.574 798 HZ PHE 98 HZ PHE 98 2.764 -7.022 23.801 799 HA PRO 99 HA PRO 99 -1.061 -7.729 32.934 800 HB2 PRO 99 2HB PRO 99 0.680 -9.760 33.400 801 HB3 PRO 99 3HB PRO 99 -0.877 -9.994 32.596 802 HG2 PRO 99 2HG PRO 99 1.854 -9.726 31.398 803 HG3 PRO 99 3HG PRO 99 0.552 -10.852 30.973 804 HD2 PRO 99 2HD PRO 99 1.064 -8.611 29.542 805 HD3 PRO 99 3HD PRO 99 -0.572 -9.278 29.720 806 H ARG 100 H ARG 100 0.312 -7.923 34.977 807 HA ARG 100 HA ARG 100 2.028 -5.704 35.154 808 HB2 ARG 100 2HB ARG 100 1.301 -7.957 36.980 809 HB3 ARG 100 3HB ARG 100 2.658 -6.923 37.406 810 HG2 ARG 100 2HG ARG 100 1.237 -4.977 37.398 811 HG3 ARG 100 3HG ARG 100 -0.129 -5.940 36.830 812 HD2 ARG 100 2HD ARG 100 1.307 -6.535 39.403 813 HD3 ARG 100 3HD ARG 100 -0.045 -5.406 39.317 814 HE ARG 100 HE ARG 100 -0.174 -8.268 39.214 815 HH11 ARG 100 1HH1 ARG 100 -1.751 -5.313 38.265 816 HH12 ARG 100 2HH1 ARG 100 -3.322 -6.035 38.150 817 HH21 ARG 100 1HH2 ARG 100 -2.237 -9.231 39.067 818 HH22 ARG 100 2HH2 ARG 100 -3.597 -8.263 38.607 819 H ASP 101 H ASP 101 2.609 -8.989 34.303 820 HA ASP 101 HA ASP 101 5.405 -9.016 34.923 821 HB2 ASP 101 2HB ASP 101 3.940 -10.817 32.989 822 HB3 ASP 101 3HB ASP 101 5.462 -11.145 33.813 823 H LEU 102 H LEU 102 3.537 -8.718 31.909 824 HA LEU 102 HA LEU 102 5.828 -8.299 30.273 825 HB2 LEU 102 2HB LEU 102 2.895 -7.784 29.838 826 HB3 LEU 102 3HB LEU 102 4.119 -7.499 28.602 827 HG LEU 102 HG LEU 102 3.369 -10.153 29.825 828 HD11 LEU 102 1HD1 LEU 102 2.012 -10.444 28.090 829 HD12 LEU 102 2HD1 LEU 102 3.241 -9.900 26.949 830 HD13 LEU 102 3HD1 LEU 102 2.202 -8.723 27.752 831 HD21 LEU 102 3HD2 LEU 102 4.977 -10.627 27.638 832 HD22 LEU 102 1HD2 LEU 102 5.454 -10.771 29.330 833 HD23 LEU 102 2HD2 LEU 102 5.777 -9.278 28.448 834 H LYS 103 H LYS 103 3.740 -6.223 32.131 835 HA LYS 103 HA LYS 103 4.141 -3.758 30.966 836 HB2 LYS 103 2HB LYS 103 3.710 -4.648 33.789 837 HB3 LYS 103 3HB LYS 103 4.087 -2.959 33.475 838 HG2 LYS 103 2HG LYS 103 2.099 -3.548 31.644 839 HG3 LYS 103 3HG LYS 103 1.608 -4.404 33.108 840 HD2 LYS 103 2HD LYS 103 1.804 -2.345 34.394 841 HD3 LYS 103 3HD LYS 103 2.352 -1.482 32.955 842 HE2 LYS 103 2HE LYS 103 0.269 -1.281 32.139 843 HE3 LYS 103 3HE LYS 103 -0.180 -2.918 32.614 844 HZ1 LYS 103 3HZ LYS 103 -1.343 -0.965 33.752 845 HZ2 LYS 103 1HZ LYS 103 0.093 -0.777 34.627 846 HZ3 LYS 103 2HZ LYS 103 -0.777 -2.224 34.730 847 H LYS 104 H LYS 104 6.245 -5.476 33.237 848 HA LYS 104 HA LYS 104 8.162 -3.419 33.515 849 HB2 LYS 104 2HB LYS 104 8.168 -6.375 34.017 850 HB3 LYS 104 3HB LYS 104 9.667 -5.463 34.134 851 HG2 LYS 104 2HG LYS 104 8.852 -4.156 35.916 852 HG3 LYS 104 3HG LYS 104 7.192 -4.693 35.649 853 HD2 LYS 104 2HD LYS 104 7.943 -5.894 37.532 854 HD3 LYS 104 3HD LYS 104 8.024 -7.035 36.188 855 HE2 LYS 104 2HE LYS 104 10.037 -7.296 37.399 856 HE3 LYS 104 3HE LYS 104 10.452 -6.387 35.947 857 HZ1 LYS 104 3HZ LYS 104 10.180 -4.341 37.382 858 HZ2 LYS 104 1HZ LYS 104 11.534 -5.305 37.698 859 HZ3 LYS 104 2HZ LYS 104 10.186 -5.382 38.716 860 H LYS 105 H LYS 105 7.783 -6.047 31.214 861 HA LYS 105 HA LYS 105 10.340 -5.767 30.000 862 HB2 LYS 105 2HB LYS 105 7.829 -6.914 28.771 863 HB3 LYS 105 3HB LYS 105 9.487 -7.225 28.271 864 HG2 LYS 105 2HG LYS 105 8.397 -7.962 30.976 865 HG3 LYS 105 3HG LYS 105 8.417 -9.055 29.590 866 HD2 LYS 105 2HD LYS 105 10.812 -8.984 29.490 867 HD3 LYS 105 3HD LYS 105 10.873 -7.715 30.716 868 HE2 LYS 105 2HE LYS 105 9.580 -10.339 31.338 869 HE3 LYS 105 3HE LYS 105 11.337 -10.192 31.380 870 HZ1 LYS 105 3HZ LYS 105 9.915 -9.742 33.501 871 HZ2 LYS 105 1HZ LYS 105 9.718 -8.208 32.813 872 HZ3 LYS 105 2HZ LYS 105 11.269 -8.785 33.162 873 H LEU 106 H LEU 106 7.185 -4.333 29.437 874 HA LEU 106 HA LEU 106 7.970 -3.062 26.977 875 HB2 LEU 106 2HB LEU 106 5.672 -3.655 27.244 876 HB3 LEU 106 3HB LEU 106 5.563 -2.765 28.761 877 HG LEU 106 HG LEU 106 6.237 -1.240 26.299 878 HD11 LEU 106 1HD1 LEU 106 4.228 -2.936 25.987 879 HD12 LEU 106 2HD1 LEU 106 4.167 -1.290 25.357 880 HD13 LEU 106 3HD1 LEU 106 3.360 -1.683 26.875 881 HD21 LEU 106 3HD2 LEU 106 5.329 -0.748 28.993 882 HD22 LEU 106 1HD2 LEU 106 4.256 0.005 27.812 883 HD23 LEU 106 2HD2 LEU 106 5.980 0.378 27.801 884 H SER 107 H SER 107 7.554 -2.092 30.350 885 HA SER 107 HA SER 107 7.864 0.652 30.094 886 HB2 SER 107 2HB SER 107 7.232 -0.414 32.206 887 HB3 SER 107 3HB SER 107 8.836 -1.135 32.338 888 HG SER 107 HG SER 107 8.211 1.057 33.400 889 H ARG 108 H ARG 108 10.364 -1.837 30.512 890 HA ARG 108 HA ARG 108 12.561 -0.074 30.541 891 HB2 ARG 108 2HB ARG 108 13.903 -2.099 29.987 892 HB3 ARG 108 3HB ARG 108 12.816 -2.327 31.350 893 HG2 ARG 108 2HG ARG 108 11.214 -3.443 29.827 894 HG3 ARG 108 3HG ARG 108 12.407 -3.304 28.533 895 HD2 ARG 108 2HD ARG 108 12.990 -4.662 31.153 896 HD3 ARG 108 3HD ARG 108 12.326 -5.518 29.762 897 HE ARG 108 HE ARG 108 14.702 -4.046 29.138 898 HH11 ARG 108 1HH1 ARG 108 13.474 -7.028 30.451 899 HH12 ARG 108 2HH1 ARG 108 14.898 -7.936 30.067 900 HH21 ARG 108 1HH2 ARG 108 16.584 -5.231 28.628 901 HH22 ARG 108 2HH2 ARG 108 16.667 -6.912 29.032 902 H VAL 109 H VAL 109 10.991 -1.853 27.910 903 HA VAL 109 HA VAL 109 12.751 -1.259 25.846 904 HB VAL 109 HB VAL 109 9.753 -1.603 25.758 905 HG11 VAL 109 1HG1 VAL 109 11.635 -0.831 23.677 906 HG12 VAL 109 2HG1 VAL 109 10.730 -2.292 23.277 907 HG13 VAL 109 3HG1 VAL 109 9.872 -0.803 23.676 908 HG21 VAL 109 3HG2 VAL 109 10.100 -3.830 25.576 909 HG22 VAL 109 1HG2 VAL 109 11.601 -3.631 24.672 910 HG23 VAL 109 2HG2 VAL 109 11.597 -3.444 26.426 911 H VAL 110 H VAL 110 9.901 0.574 26.928 912 HA VAL 110 HA VAL 110 10.087 2.645 25.045 913 HB VAL 110 HB VAL 110 8.973 2.773 27.851 914 HG11 VAL 110 1HG1 VAL 110 9.292 4.995 27.068 915 HG12 VAL 110 2HG1 VAL 110 8.653 4.593 25.473 916 HG13 VAL 110 3HG1 VAL 110 7.580 4.621 26.872 917 HG21 VAL 110 3HG2 VAL 110 6.881 2.150 26.957 918 HG22 VAL 110 1HG2 VAL 110 7.442 2.353 25.297 919 HG23 VAL 110 2HG2 VAL 110 8.042 1.012 26.273 920 H ASN 111 H ASN 111 11.655 2.162 28.149 921 HA ASN 111 HA ASN 111 12.679 4.783 28.444 922 HB2 ASN 111 2HB ASN 111 13.341 2.112 29.633 923 HB3 ASN 111 3HB ASN 111 14.419 3.476 29.911 924 HD21 ASN 111 1HD2 ASN 111 10.896 3.359 29.651 925 HD22 ASN 111 2HD2 ASN 111 10.584 3.988 31.230 926 H ILE 112 H ILE 112 13.499 2.251 26.340 927 HA ILE 112 HA ILE 112 16.273 2.985 26.011 928 HB ILE 112 HB ILE 112 14.531 1.148 24.364 929 HG12 ILE 112 2HG1 ILE 112 16.731 0.334 26.248 930 HG13 ILE 112 3HG1 ILE 112 15.089 0.589 26.829 931 HG21 ILE 112 1HG2 ILE 112 17.484 1.716 24.272 932 HG22 ILE 112 2HG2 ILE 112 16.749 0.288 23.545 933 HG23 ILE 112 3HG2 ILE 112 16.304 1.897 22.975 934 HD11 ILE 112 3HD1 ILE 112 14.587 -1.044 24.767 935 HD12 ILE 112 1HD1 ILE 112 16.207 -1.590 25.198 936 HD13 ILE 112 2HD1 ILE 112 14.920 -1.611 26.404 937 H LEU 113 H LEU 113 13.213 3.671 24.468 938 HA LEU 113 HA LEU 113 14.102 4.677 22.025 939 HB2 LEU 113 2HB LEU 113 11.749 5.528 23.704 940 HB3 LEU 113 3HB LEU 113 12.000 5.992 22.023 941 HG LEU 113 HG LEU 113 11.702 3.132 22.923 942 HD11 LEU 113 1HD1 LEU 113 9.648 4.131 23.504 943 HD12 LEU 113 2HD1 LEU 113 9.387 3.382 21.929 944 HD13 LEU 113 3HD1 LEU 113 9.628 5.124 22.047 945 HD21 LEU 113 3HD2 LEU 113 10.905 3.179 20.379 946 HD22 LEU 113 1HD2 LEU 113 12.589 2.940 20.844 947 HD23 LEU 113 2HD2 LEU 113 12.033 4.535 20.335 948 H LYS 114 H LYS 114 13.993 6.148 25.204 949 HA LYS 114 HA LYS 114 14.551 8.804 24.315 950 HB2 LYS 114 2HB LYS 114 14.632 9.395 26.574 951 HB3 LYS 114 3HB LYS 114 13.504 8.045 26.546 952 HG2 LYS 114 2HG LYS 114 14.765 7.371 28.291 953 HG3 LYS 114 3HG LYS 114 15.756 6.690 26.999 954 HD2 LYS 114 2HD LYS 114 17.402 8.255 27.252 955 HD3 LYS 114 3HD LYS 114 16.284 9.497 27.820 956 HE2 LYS 114 2HE LYS 114 17.698 8.843 29.646 957 HE3 LYS 114 3HE LYS 114 16.069 8.246 29.955 958 HZ1 LYS 114 3HZ LYS 114 18.346 6.651 28.910 959 HZ2 LYS 114 1HZ LYS 114 16.774 6.068 29.138 960 HZ3 LYS 114 2HZ LYS 114 17.695 6.560 30.469 961 H GLU 115 H GLU 115 16.476 6.025 25.164 962 HA GLU 115 HA GLU 115 18.940 7.378 25.542 963 HB2 GLU 115 2HB GLU 115 18.200 4.529 24.934 964 HB3 GLU 115 3HB GLU 115 19.883 5.036 24.980 965 HG2 GLU 115 2HG GLU 115 18.038 5.583 27.272 966 HG3 GLU 115 3HG GLU 115 18.847 4.027 27.094 967 H ARG 116 H ARG 116 17.600 5.609 22.756 968 HA ARG 116 HA ARG 116 19.769 6.451 21.050 969 HB2 ARG 116 2HB ARG 116 17.196 5.139 20.183 970 HB3 ARG 116 3HB ARG 116 18.746 5.130 19.353 971 HG2 ARG 116 2HG ARG 116 18.087 3.738 21.939 972 HG3 ARG 116 3HG ARG 116 18.342 2.983 20.365 973 HD2 ARG 116 2HD ARG 116 20.376 4.472 22.018 974 HD3 ARG 116 3HD ARG 116 20.334 2.739 21.698 975 HE ARG 116 HE ARG 116 20.461 3.865 19.224 976 HH11 ARG 116 1HH1 ARG 116 22.373 4.121 22.122 977 HH12 ARG 116 2HH1 ARG 116 23.850 4.442 21.275 978 HH21 ARG 116 1HH2 ARG 116 22.399 4.287 18.097 979 HH22 ARG 116 2HH2 ARG 116 23.864 4.537 18.986 980 H ASN 117 H ASN 117 16.837 7.778 22.073 981 HA ASN 117 HA ASN 117 15.696 9.662 21.505 982 HB2 ASN 117 2HB ASN 117 17.937 10.317 19.594 983 HB3 ASN 117 3HB ASN 117 16.859 11.433 20.428 984 HD21 ASN 117 1HD2 ASN 117 19.847 9.932 20.463 985 HD22 ASN 117 2HD2 ASN 117 20.318 10.326 22.078 986 H ILE 118 H ILE 118 15.115 7.269 20.128 987 HA ILE 118 HA ILE 118 14.962 7.383 17.377 988 HB ILE 118 HB ILE 118 12.857 6.271 19.236 989 HG12 ILE 118 2HG1 ILE 118 15.148 5.389 19.633 990 HG13 ILE 118 3HG1 ILE 118 14.035 4.159 19.044 991 HG21 ILE 118 1HG2 ILE 118 11.985 6.480 17.006 992 HG22 ILE 118 2HG2 ILE 118 13.434 5.740 16.326 993 HG23 ILE 118 3HG2 ILE 118 12.337 4.781 17.320 994 HD11 ILE 118 3HD1 ILE 118 15.936 5.648 17.258 995 HD12 ILE 118 1HD1 ILE 118 16.332 4.121 18.046 996 HD13 ILE 118 2HD1 ILE 118 15.005 4.197 16.887 997 H PHE 119 H PHE 119 12.131 8.067 19.426 998 HA PHE 119 HA PHE 119 11.082 9.816 17.349 999 HB2 PHE 119 2HB PHE 119 9.744 9.150 19.967 1000 HB3 PHE 119 3HB PHE 119 8.994 9.677 18.464 1001 HD1 PHE 119 HD1 PHE 119 9.558 8.041 16.407 1002 HD2 PHE 119 HD2 PHE 119 9.503 6.946 20.519 1003 HE1 PHE 119 HE1 PHE 119 9.178 5.694 15.773 1004 HE2 PHE 119 HE2 PHE 119 9.124 4.597 19.892 1005 HZ PHE 119 HZ PHE 119 8.961 3.969 17.517 1006 H SER 120 H SER 120 10.057 11.894 18.025 1007 HA SER 120 HA SER 120 11.983 13.460 19.483 1008 HB2 SER 120 2HB SER 120 10.491 14.065 17.360 1009 HB3 SER 120 3HB SER 120 9.383 14.632 18.609 1010 HG SER 120 HG SER 120 12.100 15.375 18.647 1011 H LYS 121 H LYS 121 10.788 15.328 20.863 1012 HA LYS 121 HA LYS 121 9.985 14.063 23.255 1013 HB2 LYS 121 2HB LYS 121 11.010 16.472 22.718 1014 HB3 LYS 121 3HB LYS 121 9.314 16.929 22.818 1015 HG2 LYS 121 2HG LYS 121 9.194 16.537 25.050 1016 HG3 LYS 121 3HG LYS 121 10.401 15.251 25.004 1017 HD2 LYS 121 2HD LYS 121 12.169 16.911 24.719 1018 HD3 LYS 121 3HD LYS 121 10.967 18.204 24.731 1019 HE2 LYS 121 2HE LYS 121 11.237 16.272 27.014 1020 HE3 LYS 121 3HE LYS 121 12.234 17.722 26.906 1021 HZ1 LYS 121 3HZ LYS 121 9.304 17.921 26.678 1022 HZ2 LYS 121 1HZ LYS 121 10.418 19.096 27.170 1023 HZ3 LYS 121 2HZ LYS 121 10.030 17.814 28.202 1024 H GLN 122 H GLN 122 8.193 15.626 20.659 1025 HA GLN 122 HA GLN 122 5.689 15.788 21.880 1026 HB2 GLN 122 2HB GLN 122 6.355 15.310 18.970 1027 HB3 GLN 122 3HB GLN 122 4.776 15.790 19.576 1028 HG2 GLN 122 2HG GLN 122 7.286 17.408 19.935 1029 HG3 GLN 122 3HG GLN 122 6.123 17.648 18.632 1030 HE21 GLN 122 1HE2 GLN 122 6.750 18.002 22.020 1031 HE22 GLN 122 2HE2 GLN 122 5.388 19.002 22.380 1032 H VAL 123 H VAL 123 7.156 13.149 20.020 1033 HA VAL 123 HA VAL 123 4.881 11.437 20.211 1034 HB VAL 123 HB VAL 123 7.729 10.590 19.685 1035 HG11 VAL 123 1HG1 VAL 123 5.053 9.387 18.999 1036 HG12 VAL 123 2HG1 VAL 123 6.591 8.818 18.348 1037 HG13 VAL 123 3HG1 VAL 123 6.278 8.728 20.082 1038 HG21 VAL 123 3HG2 VAL 123 7.472 12.209 18.061 1039 HG22 VAL 123 1HG2 VAL 123 6.859 10.778 17.233 1040 HG23 VAL 123 2HG2 VAL 123 5.734 11.947 17.924 1041 H VAL 124 H VAL 124 8.040 11.479 21.855 1042 HA VAL 124 HA VAL 124 7.658 9.288 23.521 1043 HB VAL 124 HB VAL 124 9.202 11.815 24.122 1044 HG11 VAL 124 1HG1 VAL 124 10.468 10.433 25.698 1045 HG12 VAL 124 2HG1 VAL 124 8.763 10.526 26.143 1046 HG13 VAL 124 3HG1 VAL 124 9.395 9.074 25.367 1047 HG21 VAL 124 3HG2 VAL 124 10.886 11.046 22.849 1048 HG22 VAL 124 1HG2 VAL 124 10.633 9.375 23.353 1049 HG23 VAL 124 2HG2 VAL 124 9.635 10.072 22.077 1050 H ASN 125 H ASN 125 6.994 12.722 24.204 1051 HA ASN 125 HA ASN 125 6.012 12.426 26.786 1052 HB2 ASN 125 2HB ASN 125 5.527 14.442 24.617 1053 HB3 ASN 125 3HB ASN 125 4.617 14.534 26.122 1054 HD21 ASN 125 1HD2 ASN 125 6.363 16.520 25.230 1055 HD22 ASN 125 2HD2 ASN 125 7.690 16.618 26.333 1056 H ASP 126 H ASP 126 4.503 11.778 23.717 1057 HA ASP 126 HA ASP 126 1.826 11.632 24.725 1058 HB2 ASP 126 2HB ASP 126 3.187 11.120 22.147 1059 HB3 ASP 126 3HB ASP 126 1.711 10.201 22.432 1060 H ILE 127 H ILE 127 4.416 9.322 24.119 1061 HA ILE 127 HA ILE 127 2.955 6.958 24.476 1062 HB ILE 127 HB ILE 127 5.861 7.479 25.113 1063 HG12 ILE 127 2HG1 ILE 127 4.849 6.074 22.667 1064 HG13 ILE 127 3HG1 ILE 127 4.858 7.834 22.714 1065 HG21 ILE 127 1HG2 ILE 127 6.014 4.971 24.682 1066 HG22 ILE 127 2HG2 ILE 127 5.312 5.484 26.216 1067 HG23 ILE 127 3HG2 ILE 127 4.264 4.946 24.903 1068 HD11 ILE 127 3HD1 ILE 127 7.020 5.999 22.250 1069 HD12 ILE 127 1HD1 ILE 127 6.956 7.746 22.022 1070 HD13 ILE 127 2HD1 ILE 127 7.385 7.077 23.597 1071 H GLU 128 H GLU 128 4.703 8.975 26.812 1072 HA GLU 128 HA GLU 128 4.215 7.300 29.047 1073 HB2 GLU 128 2HB GLU 128 4.824 10.260 28.958 1074 HB3 GLU 128 3HB GLU 128 4.904 9.246 30.392 1075 HG2 GLU 128 2HG GLU 128 6.581 7.844 29.012 1076 HG3 GLU 128 3HG GLU 128 6.701 9.288 28.008 1077 H ARG 129 H ARG 129 2.636 10.270 27.892 1078 HA ARG 129 HA ARG 129 0.743 10.547 29.902 1079 HB2 ARG 129 2HB ARG 129 0.564 11.228 26.964 1080 HB3 ARG 129 3HB ARG 129 -0.628 11.729 28.156 1081 HG2 ARG 129 2HG ARG 129 2.212 12.385 28.693 1082 HG3 ARG 129 3HG ARG 129 1.380 13.286 27.424 1083 HD2 ARG 129 2HD ARG 129 -0.433 13.774 29.076 1084 HD3 ARG 129 3HD ARG 129 0.578 13.035 30.318 1085 HE ARG 129 HE ARG 129 2.101 14.989 29.049 1086 HH11 ARG 129 1HH1 ARG 129 -0.760 14.777 31.022 1087 HH12 ARG 129 2HH1 ARG 129 -0.549 16.345 31.726 1088 HH21 ARG 129 1HH2 ARG 129 2.390 17.056 29.970 1089 HH22 ARG 129 2HH2 ARG 129 1.243 17.641 31.127 1090 H SER 130 H SER 130 0.640 8.580 26.968 1091 HA SER 130 HA SER 130 -1.997 7.769 26.990 1092 HB2 SER 130 2HB SER 130 0.540 6.448 26.089 1093 HB3 SER 130 3HB SER 130 -0.976 5.549 26.038 1094 HG SER 130 HG SER 130 -0.647 6.613 24.077 1095 H LEU 131 H LEU 131 0.740 6.388 28.770 1096 HA LEU 131 HA LEU 131 -0.833 4.340 30.005 1097 HB2 LEU 131 2HB LEU 131 1.772 5.320 31.099 1098 HB3 LEU 131 3HB LEU 131 1.110 3.687 31.097 1099 HG LEU 131 HG LEU 131 2.280 5.158 28.737 1100 HD11 LEU 131 1HD1 LEU 131 3.726 4.094 30.642 1101 HD12 LEU 131 2HD1 LEU 131 4.150 3.848 28.948 1102 HD13 LEU 131 3HD1 LEU 131 3.301 2.583 29.836 1103 HD21 LEU 131 3HD2 LEU 131 0.376 3.044 28.815 1104 HD22 LEU 131 1HD2 LEU 131 1.911 2.398 28.232 1105 HD23 LEU 131 2HD2 LEU 131 1.165 3.771 27.414 1106 H ALA 132 H ALA 132 0.183 7.585 30.861 1107 HA ALA 132 HA ALA 132 -0.473 7.507 33.599 1108 HB1 ALA 132 1HB ALA 132 0.273 9.605 33.586 1109 HB2 ALA 132 2HB ALA 132 0.611 9.370 31.871 1110 HB3 ALA 132 3HB ALA 132 -0.911 10.102 32.378 1111 H ALA 133 H ALA 133 -2.413 7.817 30.742 1112 HA ALA 133 HA ALA 133 -4.736 8.796 32.171 1113 HB1 ALA 133 1HB ALA 133 -4.241 9.486 29.839 1114 HB2 ALA 133 2HB ALA 133 -4.553 7.829 29.322 1115 HB3 ALA 133 3HB ALA 133 -5.847 8.786 30.041 1116 H ALA 134 H ALA 134 -3.438 5.762 31.058 1117 HA ALA 134 HA ALA 134 -5.923 4.331 31.498 1118 HB1 ALA 134 1HB ALA 134 -4.933 3.198 29.829 1119 HB2 ALA 134 2HB ALA 134 -3.316 3.734 30.285 1120 HB3 ALA 134 3HB ALA 134 -4.071 2.387 31.136 1121 H LEU 135 H LEU 135 -3.069 5.148 33.245 1122 HA LEU 135 HA LEU 135 -2.818 3.087 35.066 1123 HB2 LEU 135 2HB LEU 135 -1.400 5.184 34.797 1124 HB3 LEU 135 3HB LEU 135 -2.585 5.985 35.827 1125 HG LEU 135 HG LEU 135 -2.053 4.153 37.541 1126 HD11 LEU 135 1HD1 LEU 135 0.430 3.451 37.206 1127 HD12 LEU 135 2HD1 LEU 135 0.078 3.706 35.497 1128 HD13 LEU 135 3HD1 LEU 135 -0.856 2.532 36.424 1129 HD21 LEU 135 3HD2 LEU 135 0.372 5.796 37.150 1130 HD22 LEU 135 1HD2 LEU 135 -0.658 5.607 38.569 1131 HD23 LEU 135 2HD2 LEU 135 -1.162 6.662 37.248 1132 H GLU 136 H GLU 136 -5.251 5.574 34.872 1133 HA GLU 136 HA GLU 136 -7.174 5.947 36.029 1134 HB2 GLU 136 2HB GLU 136 -7.281 3.397 35.489 1135 HB3 GLU 136 3HB GLU 136 -6.980 3.198 37.210 1136 HG2 GLU 136 2HG GLU 136 -8.984 4.350 37.774 1137 HG3 GLU 136 3HG GLU 136 -9.237 4.843 36.101 1138 H HIS 137 H HIS 137 -4.664 6.611 37.277 1139 HA HIS 137 HA HIS 137 -4.610 5.896 40.004 1140 HB2 HIS 137 2HB HIS 137 -2.820 7.082 38.491 1141 HB3 HIS 137 3HB HIS 137 -3.597 8.554 39.067 1142 HD1 HIS 137 HD1 HIS 137 -3.020 9.331 41.392 1143 HD2 HIS 137 HD2 HIS 137 -1.594 5.516 40.570 1144 HE1 HIS 137 HE1 HIS 137 -1.519 8.744 43.322 1145 H HIS 138 H HIS 138 -5.973 6.415 41.571 1146 HA HIS 138 HA HIS 138 -8.150 8.155 41.245 1147 HB2 HIS 138 2HB HIS 138 -8.424 7.906 43.723 1148 HB3 HIS 138 3HB HIS 138 -8.279 6.378 42.859 1149 HD1 HIS 138 HD1 HIS 138 -6.230 4.929 43.355 1150 HD2 HIS 138 HD2 HIS 138 -6.234 8.554 45.385 1151 HE1 HIS 138 HE1 HIS 138 -4.400 4.741 45.070 Start of MODEL 14 1 H ALA 2 H ALA 2 7.827 -4.645 -5.294 2 HA ALA 2 HA ALA 2 6.452 -6.445 -5.060 3 HB1 ALA 2 1HB ALA 2 7.424 -8.610 -4.553 4 HB2 ALA 2 2HB ALA 2 8.448 -7.730 -5.689 5 HB3 ALA 2 3HB ALA 2 8.904 -7.836 -3.988 6 H PHE 3 H PHE 3 6.280 -4.556 -3.094 7 HA PHE 3 HA PHE 3 6.291 -5.920 -0.522 8 HB2 PHE 3 2HB PHE 3 7.092 -3.661 -0.470 9 HB3 PHE 3 3HB PHE 3 5.669 -3.076 -1.326 10 HD1 PHE 3 HD2 PHE 3 6.318 -5.129 1.727 11 HD2 PHE 3 HD1 PHE 3 4.242 -1.854 -0.028 12 HE1 PHE 3 HE2 PHE 3 5.213 -4.681 3.879 13 HE2 PHE 3 HE1 PHE 3 3.135 -1.400 2.122 14 HZ PHE 3 HZ PHE 3 3.619 -2.815 4.078 15 H SER 4 H SER 4 4.475 -6.372 0.692 16 HA SER 4 HA SER 4 1.844 -5.775 -0.402 17 HB2 SER 4 2HB SER 4 3.024 -8.521 -0.237 18 HB3 SER 4 3HB SER 4 1.297 -8.313 0.054 19 HG SER 4 HG SER 4 1.197 -8.400 -2.048 20 H SER 5 H SER 5 0.316 -5.529 1.141 21 HA SER 5 HA SER 5 1.091 -5.246 3.829 22 HB2 SER 5 2HB SER 5 -1.713 -5.516 2.718 23 HB3 SER 5 3HB SER 5 -1.277 -4.840 4.287 24 HG SER 5 HG SER 5 -1.565 -3.164 2.830 25 H GLU 6 H GLU 6 -0.653 -7.817 2.139 26 HA GLU 6 HA GLU 6 -1.358 -9.356 4.366 27 HB2 GLU 6 2HB GLU 6 -1.424 -11.267 2.737 28 HB3 GLU 6 3HB GLU 6 -2.354 -9.854 2.256 29 HG2 GLU 6 2HG GLU 6 0.404 -9.881 1.276 30 HG3 GLU 6 3HG GLU 6 -0.609 -11.188 0.665 31 H GLN 7 H GLN 7 1.655 -9.056 2.632 32 HA GLN 7 HA GLN 7 2.914 -11.388 3.607 33 HB2 GLN 7 2HB GLN 7 3.690 -8.990 2.133 34 HB3 GLN 7 3HB GLN 7 4.957 -9.567 3.207 35 HG2 GLN 7 2HG GLN 7 3.544 -11.321 1.217 36 HG3 GLN 7 3HG GLN 7 5.037 -10.451 0.868 37 HE21 GLN 7 1HE2 GLN 7 5.932 -12.560 0.461 38 HE22 GLN 7 2HE2 GLN 7 6.489 -13.524 1.782 39 H PHE 8 H PHE 8 3.131 -7.999 4.685 40 HA PHE 8 HA PHE 8 4.815 -8.428 6.867 41 HB2 PHE 8 2HB PHE 8 4.338 -6.194 6.004 42 HB3 PHE 8 3HB PHE 8 2.659 -6.335 6.516 43 HD1 PHE 8 HD2 PHE 8 5.901 -7.066 8.212 44 HD2 PHE 8 HD1 PHE 8 2.251 -4.877 8.238 45 HE1 PHE 8 HE2 PHE 8 6.494 -6.110 10.400 46 HE2 PHE 8 HE1 PHE 8 2.839 -3.916 10.425 47 HZ PHE 8 HZ PHE 8 4.962 -4.534 11.510 48 H THR 9 H THR 9 1.266 -8.359 6.726 49 HA THR 9 HA THR 9 0.841 -8.848 9.471 50 HB THR 9 HB THR 9 -1.027 -9.617 7.225 51 HG1 THR 9 HG1 THR 9 -1.773 -7.511 7.310 52 HG21 THR 9 3HG2 THR 9 -2.748 -9.059 8.973 53 HG22 THR 9 1HG2 THR 9 -1.432 -8.970 10.143 54 HG23 THR 9 2HG2 THR 9 -1.777 -10.490 9.317 55 H THR 10 H THR 10 0.687 -11.059 6.679 56 HA THR 10 HA THR 10 0.192 -13.403 8.114 57 HB THR 10 HB THR 10 1.671 -13.080 5.496 58 HG1 THR 10 HG1 THR 10 -0.447 -13.691 4.676 59 HG21 THR 10 3HG2 THR 10 2.197 -15.246 6.263 60 HG22 THR 10 1HG2 THR 10 0.839 -15.468 5.161 61 HG23 THR 10 2HG2 THR 10 0.575 -15.502 6.905 62 H LYS 11 H LYS 11 3.187 -11.716 7.431 63 HA LYS 11 HA LYS 11 4.877 -13.847 8.357 64 HB2 LYS 11 2HB LYS 11 5.333 -10.981 7.579 65 HB3 LYS 11 3HB LYS 11 6.611 -11.917 8.344 66 HG2 LYS 11 2HG LYS 11 6.525 -13.544 6.542 67 HG3 LYS 11 3HG LYS 11 5.206 -12.650 5.783 68 HD2 LYS 11 2HD LYS 11 6.578 -10.950 5.086 69 HD3 LYS 11 3HD LYS 11 7.735 -11.202 6.396 70 HE2 LYS 11 2HE LYS 11 7.349 -13.135 4.118 71 HE3 LYS 11 3HE LYS 11 8.543 -11.838 4.101 72 HZ1 LYS 11 3HZ LYS 11 9.887 -13.301 5.072 73 HZ2 LYS 11 1HZ LYS 11 8.627 -14.372 5.431 74 HZ3 LYS 11 2HZ LYS 11 8.970 -13.090 6.479 75 H LEU 12 H LEU 12 3.274 -11.110 9.770 76 HA LEU 12 HA LEU 12 4.846 -10.965 12.141 77 HB2 LEU 12 2HB LEU 12 2.193 -9.889 11.288 78 HB3 LEU 12 3HB LEU 12 2.673 -9.793 12.981 79 HG LEU 12 HG LEU 12 4.488 -8.718 10.861 80 HD11 LEU 12 1HD1 LEU 12 1.818 -7.756 11.448 81 HD12 LEU 12 2HD1 LEU 12 2.943 -7.269 10.181 82 HD13 LEU 12 3HD1 LEU 12 3.052 -6.542 11.784 83 HD21 LEU 12 3HD2 LEU 12 5.506 -8.677 12.946 84 HD22 LEU 12 1HD2 LEU 12 4.005 -8.281 13.784 85 HD23 LEU 12 2HD2 LEU 12 4.822 -7.056 12.813 86 H ASN 13 H ASN 13 1.802 -12.560 11.294 87 HA ASN 13 HA ASN 13 1.423 -13.628 13.936 88 HB2 ASN 13 2HB ASN 13 -0.491 -14.790 12.982 89 HB3 ASN 13 3HB ASN 13 -0.483 -13.114 12.441 90 HD21 ASN 13 1HD2 ASN 13 -1.598 -13.379 10.579 91 HD22 ASN 13 2HD2 ASN 13 -1.029 -14.306 9.236 92 H THR 14 H THR 14 3.589 -14.350 11.602 93 HA THR 14 HA THR 14 3.683 -17.195 12.374 94 HB THR 14 HB THR 14 4.872 -17.591 10.196 95 HG1 THR 14 HG1 THR 14 5.393 -15.353 9.809 96 HG21 THR 14 3HG2 THR 14 2.092 -17.235 10.700 97 HG22 THR 14 1HG2 THR 14 2.870 -18.329 9.558 98 HG23 THR 14 2HG2 THR 14 2.430 -16.697 9.055 99 H LEU 15 H LEU 15 4.997 -14.556 13.324 100 HA LEU 15 HA LEU 15 7.806 -15.366 13.040 101 HB2 LEU 15 2HB LEU 15 8.428 -13.191 13.358 102 HB3 LEU 15 3HB LEU 15 6.864 -12.970 12.576 103 HG LEU 15 HG LEU 15 6.048 -12.884 15.106 104 HD11 LEU 15 1HD1 LEU 15 8.960 -12.554 15.224 105 HD12 LEU 15 2HD1 LEU 15 7.812 -13.000 16.486 106 HD13 LEU 15 3HD1 LEU 15 8.036 -11.304 16.058 107 HD21 LEU 15 3HD2 LEU 15 6.623 -11.014 13.056 108 HD22 LEU 15 1HD2 LEU 15 7.121 -10.304 14.591 109 HD23 LEU 15 2HD2 LEU 15 5.465 -10.872 14.379 110 H GLU 16 H GLU 16 9.129 -15.656 14.839 111 HA GLU 16 HA GLU 16 7.675 -16.112 17.358 112 HB2 GLU 16 2HB GLU 16 10.302 -17.345 16.523 113 HB3 GLU 16 3HB GLU 16 9.311 -17.789 17.905 114 HG2 GLU 16 2HG GLU 16 7.583 -18.631 16.448 115 HG3 GLU 16 3HG GLU 16 8.480 -18.093 15.029 116 H ASP 17 H ASP 17 9.432 -16.143 19.257 117 HA ASP 17 HA ASP 17 10.588 -13.456 19.226 118 HB2 ASP 17 2HB ASP 17 9.158 -13.798 21.094 119 HB3 ASP 17 3HB ASP 17 9.881 -15.363 21.453 120 H SER 18 H SER 18 12.470 -13.871 18.032 121 HA SER 18 HA SER 18 14.617 -15.041 19.606 122 HB2 SER 18 2HB SER 18 14.323 -17.000 18.448 123 HB3 SER 18 3HB SER 18 13.591 -16.196 17.060 124 HG SER 18 HG SER 18 15.927 -17.101 17.039 125 H GLN 19 H GLN 19 16.657 -14.245 19.090 126 HA GLN 19 HA GLN 19 16.844 -11.646 18.180 127 HB2 GLN 19 2HB GLN 19 18.844 -13.846 18.521 128 HB3 GLN 19 3HB GLN 19 19.343 -12.336 17.770 129 HG2 GLN 19 2HG GLN 19 17.916 -12.321 20.394 130 HG3 GLN 19 3HG GLN 19 19.645 -12.654 20.313 131 HE21 GLN 19 1HE2 GLN 19 17.156 -10.294 19.573 132 HE22 GLN 19 2HE2 GLN 19 18.197 -8.916 19.574 133 H GLU 20 H GLU 20 17.365 -14.655 16.387 134 HA GLU 20 HA GLU 20 18.073 -13.313 13.955 135 HB2 GLU 20 2HB GLU 20 18.783 -15.654 14.631 136 HB3 GLU 20 3HB GLU 20 17.149 -16.170 14.239 137 HG2 GLU 20 2HG GLU 20 18.338 -16.659 12.319 138 HG3 GLU 20 3HG GLU 20 17.584 -15.112 11.942 139 H SER 21 H SER 21 15.153 -14.808 15.259 140 HA SER 21 HA SER 21 13.568 -14.701 12.958 141 HB2 SER 21 2HB SER 21 12.891 -14.638 15.896 142 HB3 SER 21 3HB SER 21 11.640 -14.599 14.654 143 HG SER 21 HG SER 21 11.865 -16.707 14.914 144 H ILE 22 H ILE 22 13.863 -12.351 15.615 145 HA ILE 22 HA ILE 22 12.082 -10.448 14.587 146 HB ILE 22 HB ILE 22 14.493 -10.032 16.358 147 HG12 ILE 22 2HG1 ILE 22 12.754 -11.560 17.254 148 HG13 ILE 22 3HG1 ILE 22 12.900 -10.077 18.192 149 HG21 ILE 22 1HG2 ILE 22 12.869 -8.007 17.004 150 HG22 ILE 22 2HG2 ILE 22 14.126 -7.876 15.774 151 HG23 ILE 22 3HG2 ILE 22 12.454 -8.173 15.298 152 HD11 ILE 22 3HD1 ILE 22 10.945 -9.672 16.174 153 HD12 ILE 22 1HD1 ILE 22 10.595 -11.187 17.006 154 HD13 ILE 22 2HD1 ILE 22 10.745 -9.689 17.926 155 H SER 23 H SER 23 15.505 -10.991 13.994 156 HA SER 23 HA SER 23 15.889 -8.576 12.506 157 HB2 SER 23 2HB SER 23 17.876 -9.381 13.425 158 HB3 SER 23 3HB SER 23 17.519 -11.052 12.986 159 HG SER 23 HG SER 23 18.824 -10.610 11.386 160 H SER 24 H SER 24 14.906 -11.835 11.765 161 HA SER 24 HA SER 24 15.396 -11.866 9.007 162 HB2 SER 24 2HB SER 24 14.703 -13.819 10.488 163 HB3 SER 24 3HB SER 24 13.050 -13.221 10.343 164 HG SER 24 HG SER 24 14.697 -14.406 8.428 165 H ALA 25 H ALA 25 12.451 -10.964 10.790 166 HA ALA 25 HA ALA 25 11.104 -10.093 8.404 167 HB1 ALA 25 1HB ALA 25 9.479 -9.143 10.202 168 HB2 ALA 25 2HB ALA 25 9.606 -10.887 9.967 169 HB3 ALA 25 3HB ALA 25 10.441 -10.115 11.316 170 H SER 26 H SER 26 12.718 -8.537 11.139 171 HA SER 26 HA SER 26 12.047 -5.895 10.655 172 HB2 SER 26 2HB SER 26 14.461 -7.202 11.872 173 HB3 SER 26 3HB SER 26 14.421 -5.453 11.652 174 HG SER 26 HG SER 26 12.611 -5.353 12.959 175 H LYS 27 H LYS 27 14.722 -7.787 9.296 176 HA LYS 27 HA LYS 27 15.965 -5.773 7.833 177 HB2 LYS 27 2HB LYS 27 15.936 -8.702 7.824 178 HB3 LYS 27 3HB LYS 27 16.277 -8.002 6.247 179 HG2 LYS 27 2HG LYS 27 18.356 -8.371 7.315 180 HG3 LYS 27 3HG LYS 27 18.063 -6.630 7.342 181 HD2 LYS 27 2HD LYS 27 17.069 -7.038 9.675 182 HD3 LYS 27 3HD LYS 27 17.873 -8.608 9.594 183 HE2 LYS 27 2HE LYS 27 20.018 -7.557 9.340 184 HE3 LYS 27 3HE LYS 27 19.272 -5.966 9.202 185 HZ1 LYS 27 3HZ LYS 27 19.445 -7.692 11.601 186 HZ2 LYS 27 1HZ LYS 27 18.385 -6.376 11.509 187 HZ3 LYS 27 2HZ LYS 27 20.054 -6.127 11.393 188 H TRP 28 H TRP 28 13.238 -7.852 6.973 189 HA TRP 28 HA TRP 28 13.009 -6.990 4.291 190 HB2 TRP 28 2HB TRP 28 11.966 -9.059 5.113 191 HB3 TRP 28 3HB TRP 28 10.884 -8.112 6.131 192 HD1 TRP 28 HD1 TRP 28 11.708 -8.328 2.334 193 HE1 TRP 28 HE1 TRP 28 9.501 -8.062 1.037 194 HE3 TRP 28 HE3 TRP 28 8.532 -7.610 6.275 195 HZ2 TRP 28 HZ2 TRP 28 6.774 -7.607 1.609 196 HZ3 TRP 28 HZ3 TRP 28 6.140 -7.266 5.815 197 HH2 TRP 28 HH2 TRP 28 5.281 -7.264 3.529 198 H LEU 29 H LEU 29 11.494 -5.890 7.296 199 HA LEU 29 HA LEU 29 9.733 -4.025 6.148 200 HB2 LEU 29 2HB LEU 29 10.947 -4.380 8.852 201 HB3 LEU 29 3HB LEU 29 10.048 -2.907 8.492 202 HG LEU 29 HG LEU 29 8.762 -5.550 7.976 203 HD11 LEU 29 1HD1 LEU 29 8.471 -6.112 10.120 204 HD12 LEU 29 2HD1 LEU 29 8.252 -4.439 10.631 205 HD13 LEU 29 3HD1 LEU 29 9.877 -5.092 10.425 206 HD21 LEU 29 3HD2 LEU 29 8.008 -2.749 8.173 207 HD22 LEU 29 1HD2 LEU 29 6.983 -3.802 9.150 208 HD23 LEU 29 2HD2 LEU 29 7.160 -4.101 7.421 209 H LEU 30 H LEU 30 13.121 -3.834 7.012 210 HA LEU 30 HA LEU 30 13.496 -1.079 6.988 211 HB2 LEU 30 2HB LEU 30 15.102 -3.247 7.296 212 HB3 LEU 30 3HB LEU 30 15.626 -2.656 5.720 213 HG LEU 30 HG LEU 30 17.082 -1.729 7.353 214 HD11 LEU 30 1HD1 LEU 30 16.781 0.634 7.017 215 HD12 LEU 30 2HD1 LEU 30 15.077 0.401 6.631 216 HD13 LEU 30 3HD1 LEU 30 16.319 -0.223 5.546 217 HD21 LEU 30 3HD2 LEU 30 14.789 -0.462 8.808 218 HD22 LEU 30 1HD2 LEU 30 16.449 -0.715 9.349 219 HD23 LEU 30 2HD2 LEU 30 15.345 -2.085 9.220 220 H LEU 31 H LEU 31 13.446 -3.382 4.307 221 HA LEU 31 HA LEU 31 14.163 -1.495 2.307 222 HB2 LEU 31 2HB LEU 31 12.969 -4.236 2.292 223 HB3 LEU 31 3HB LEU 31 13.035 -3.293 0.804 224 HG LEU 31 HG LEU 31 15.562 -3.096 1.312 225 HD11 LEU 31 1HD1 LEU 31 14.729 -5.328 3.140 226 HD12 LEU 31 2HD1 LEU 31 15.710 -3.910 3.510 227 HD13 LEU 31 3HD1 LEU 31 16.365 -5.194 2.494 228 HD21 LEU 31 3HD2 LEU 31 14.672 -4.333 -0.568 229 HD22 LEU 31 1HD2 LEU 31 14.300 -5.705 0.476 230 HD23 LEU 31 2HD2 LEU 31 15.979 -5.248 0.186 231 H GLN 32 H GLN 32 11.359 -1.897 4.103 232 HA GLN 32 HA GLN 32 9.595 -0.862 2.017 233 HB2 GLN 32 2HB GLN 32 8.921 -1.612 4.865 234 HB3 GLN 32 3HB GLN 32 7.782 -1.281 3.567 235 HG2 GLN 32 2HG GLN 32 9.647 -3.622 3.822 236 HG3 GLN 32 3HG GLN 32 7.885 -3.632 3.862 237 HE21 GLN 32 1HE2 GLN 32 9.576 -5.164 2.144 238 HE22 GLN 32 2HE2 GLN 32 9.213 -4.699 0.520 239 H TYR 33 H TYR 33 11.758 0.758 3.147 240 HA TYR 33 HA TYR 33 10.921 2.603 5.044 241 HB2 TYR 33 2HB TYR 33 12.689 3.996 4.303 242 HB3 TYR 33 3HB TYR 33 13.233 2.349 4.009 243 HD1 TYR 33 HD1 TYR 33 12.728 1.426 1.594 244 HD2 TYR 33 HD2 TYR 33 12.894 5.555 2.607 245 HE1 TYR 33 HE1 TYR 33 13.149 1.982 -0.765 246 HE2 TYR 33 HE2 TYR 33 13.315 6.122 0.251 247 HH TYR 33 HH TYR 33 14.349 4.830 -1.796 248 H ARG 34 H ARG 34 10.039 2.283 1.704 249 HA ARG 34 HA ARG 34 9.012 4.920 1.358 250 HB2 ARG 34 2HB ARG 34 8.753 2.341 -0.153 251 HB3 ARG 34 3HB ARG 34 7.746 3.719 -0.576 252 HG2 ARG 34 2HG ARG 34 10.089 4.955 -0.582 253 HG3 ARG 34 3HG ARG 34 10.661 3.320 -0.915 254 HD2 ARG 34 2HD ARG 34 9.084 3.180 -2.802 255 HD3 ARG 34 3HD ARG 34 8.579 4.838 -2.482 256 HE ARG 34 HE ARG 34 11.398 4.630 -2.870 257 HH11 ARG 34 1HH1 ARG 34 8.341 4.777 -4.529 258 HH12 ARG 34 2HH1 ARG 34 9.013 5.440 -5.981 259 HH21 ARG 34 1HH2 ARG 34 12.295 5.503 -4.776 260 HH22 ARG 34 2HH2 ARG 34 11.262 5.852 -6.121 261 H ASP 35 H ASP 35 7.743 1.934 2.621 262 HA ASP 35 HA ASP 35 5.027 3.008 2.705 263 HB2 ASP 35 2HB ASP 35 5.807 0.331 3.811 264 HB3 ASP 35 3HB ASP 35 4.276 0.838 3.103 265 H ALA 36 H ALA 36 6.883 4.373 4.285 266 HA ALA 36 HA ALA 36 7.186 3.602 6.913 267 HB1 ALA 36 1HB ALA 36 7.169 6.146 5.464 268 HB2 ALA 36 2HB ALA 36 6.761 6.282 7.175 269 HB3 ALA 36 3HB ALA 36 8.286 5.541 6.688 270 HA PRO 37 HA PRO 37 2.955 5.621 8.061 271 HB2 PRO 37 2HB PRO 37 1.343 6.408 6.023 272 HB3 PRO 37 3HB PRO 37 2.555 7.468 6.754 273 HG2 PRO 37 2HG PRO 37 2.710 5.874 4.225 274 HG3 PRO 37 3HG PRO 37 3.242 7.537 4.533 275 HD2 PRO 37 2HD PRO 37 4.958 5.443 4.490 276 HD3 PRO 37 3HD PRO 37 5.204 6.858 5.534 277 H LYS 38 H LYS 38 2.942 3.803 5.020 278 HA LYS 38 HA LYS 38 0.463 2.537 5.321 279 HB2 LYS 38 2HB LYS 38 2.885 2.136 3.696 280 HB3 LYS 38 3HB LYS 38 1.938 0.679 3.969 281 HG2 LYS 38 2HG LYS 38 0.923 1.410 2.082 282 HG3 LYS 38 3HG LYS 38 -0.045 2.292 3.265 283 HD2 LYS 38 2HD LYS 38 1.181 4.294 2.902 284 HD3 LYS 38 3HD LYS 38 2.417 3.446 1.970 285 HE2 LYS 38 2HE LYS 38 -0.471 3.761 1.157 286 HE3 LYS 38 3HE LYS 38 0.867 4.736 0.549 287 HZ1 LYS 38 3HZ LYS 38 1.666 2.151 0.159 288 HZ2 LYS 38 1HZ LYS 38 1.070 3.203 -1.025 289 HZ3 LYS 38 2HZ LYS 38 0.023 2.128 -0.244 290 H VAL 39 H VAL 39 3.714 1.284 6.089 291 HA VAL 39 HA VAL 39 2.830 -1.097 7.297 292 HB VAL 39 HB VAL 39 5.385 0.402 7.892 293 HG11 VAL 39 1HG1 VAL 39 5.430 -2.510 7.926 294 HG12 VAL 39 2HG1 VAL 39 6.049 -1.353 9.106 295 HG13 VAL 39 3HG1 VAL 39 4.348 -1.821 9.137 296 HG21 VAL 39 3HG2 VAL 39 6.077 -0.073 5.836 297 HG22 VAL 39 1HG2 VAL 39 5.765 -1.786 6.115 298 HG23 VAL 39 2HG2 VAL 39 4.493 -0.753 5.462 299 H ALA 40 H ALA 40 3.578 2.088 8.647 300 HA ALA 40 HA ALA 40 3.382 1.465 11.357 301 HB1 ALA 40 1HB ALA 40 4.247 3.566 10.934 302 HB2 ALA 40 2HB ALA 40 2.970 3.976 9.788 303 HB3 ALA 40 3HB ALA 40 2.626 3.943 11.517 304 H GLU 41 H GLU 41 0.856 2.585 9.114 305 HA GLU 41 HA GLU 41 -1.240 2.606 10.992 306 HB2 GLU 41 2HB GLU 41 -1.531 3.790 8.941 307 HB3 GLU 41 3HB GLU 41 -1.226 2.345 7.988 308 HG2 GLU 41 2HG GLU 41 -3.581 2.900 7.982 309 HG3 GLU 41 3HG GLU 41 -3.305 1.362 8.799 310 H MET 42 H MET 42 -0.300 0.147 8.596 311 HA MET 42 HA MET 42 -2.264 -1.736 9.192 312 HB2 MET 42 2HB MET 42 -0.243 -1.611 7.399 313 HB3 MET 42 3HB MET 42 0.417 -2.792 8.522 314 HG2 MET 42 2HG MET 42 -2.231 -2.981 7.105 315 HG3 MET 42 3HG MET 42 -0.766 -3.874 6.703 316 HE1 MET 42 3HE MET 42 -0.326 -6.071 9.954 317 HE2 MET 42 1HE MET 42 0.396 -5.586 8.419 318 HE3 MET 42 2HE MET 42 0.292 -4.432 9.748 319 H TRP 43 H TRP 43 1.048 -1.490 10.479 320 HA TRP 43 HA TRP 43 0.974 -3.670 12.195 321 HB2 TRP 43 2HB TRP 43 3.015 -2.376 11.672 322 HB3 TRP 43 3HB TRP 43 2.405 -1.042 12.647 323 HD1 TRP 43 HD1 TRP 43 3.687 -4.658 13.027 324 HE1 TRP 43 HE1 TRP 43 4.538 -4.961 15.437 325 HE3 TRP 43 HE3 TRP 43 2.257 -0.149 14.967 326 HZ2 TRP 43 HZ2 TRP 43 4.595 -3.485 17.842 327 HZ3 TRP 43 HZ3 TRP 43 2.747 0.326 17.331 328 HH2 TRP 43 HH2 TRP 43 3.891 -1.309 18.737 329 H LYS 44 H LYS 44 0.211 -0.270 12.943 330 HA LYS 44 HA LYS 44 -0.475 -0.547 15.601 331 HB2 LYS 44 2HB LYS 44 -0.328 1.639 14.655 332 HB3 LYS 44 3HB LYS 44 -1.582 1.284 13.474 333 HG2 LYS 44 2HG LYS 44 -3.257 1.219 15.205 334 HG3 LYS 44 3HG LYS 44 -2.024 1.433 16.449 335 HD2 LYS 44 2HD LYS 44 -1.781 3.652 16.016 336 HD3 LYS 44 3HD LYS 44 -2.126 3.465 14.295 337 HE2 LYS 44 2HE LYS 44 -4.272 3.080 16.351 338 HE3 LYS 44 3HE LYS 44 -3.840 4.693 15.787 339 HZ1 LYS 44 3HZ LYS 44 -4.307 2.712 13.717 340 HZ2 LYS 44 1HZ LYS 44 -4.770 4.338 13.786 341 HZ3 LYS 44 2HZ LYS 44 -5.669 3.167 14.611 342 H GLU 45 H GLU 45 -2.776 -0.557 12.870 343 HA GLU 45 HA GLU 45 -5.047 -1.257 14.278 344 HB2 GLU 45 2HB GLU 45 -4.209 -1.837 11.444 345 HB3 GLU 45 3HB GLU 45 -5.783 -2.318 12.062 346 HG2 GLU 45 2HG GLU 45 -4.853 0.515 12.285 347 HG3 GLU 45 3HG GLU 45 -5.565 -0.093 10.792 348 H TYR 46 H TYR 46 -2.518 -3.337 12.967 349 HA TYR 46 HA TYR 46 -3.815 -5.797 13.504 350 HB2 TYR 46 2HB TYR 46 -2.060 -5.903 11.943 351 HB3 TYR 46 3HB TYR 46 -0.954 -5.022 12.991 352 HD1 TYR 46 HD1 TYR 46 -2.881 -8.221 12.893 353 HD2 TYR 46 HD2 TYR 46 0.650 -6.213 14.158 354 HE1 TYR 46 HE1 TYR 46 -1.968 -10.354 13.709 355 HE2 TYR 46 HE2 TYR 46 1.574 -8.340 14.976 356 HH TYR 46 HH TYR 46 1.267 -10.778 14.519 357 H MET 47 H MET 47 -1.597 -3.775 15.359 358 HA MET 47 HA MET 47 -1.281 -5.636 17.499 359 HB2 MET 47 2HB MET 47 -0.778 -2.657 17.393 360 HB3 MET 47 3HB MET 47 -0.279 -3.715 18.705 361 HG2 MET 47 2HG MET 47 0.593 -4.290 15.910 362 HG3 MET 47 3HG MET 47 1.412 -3.052 16.860 363 HE1 MET 47 3HE MET 47 3.284 -4.332 19.359 364 HE2 MET 47 1HE MET 47 1.767 -3.435 19.281 365 HE3 MET 47 2HE MET 47 1.825 -4.999 20.093 366 H LEU 48 H LEU 48 -3.654 -3.279 16.661 367 HA LEU 48 HA LEU 48 -4.823 -3.377 19.351 368 HB2 LEU 48 2HB LEU 48 -5.632 -1.644 17.024 369 HB3 LEU 48 3HB LEU 48 -6.164 -1.493 18.697 370 HG LEU 48 HG LEU 48 -3.303 -1.103 17.843 371 HD11 LEU 48 1HD1 LEU 48 -3.697 1.264 17.827 372 HD12 LEU 48 2HD1 LEU 48 -5.386 1.031 18.276 373 HD13 LEU 48 3HD1 LEU 48 -4.812 0.497 16.696 374 HD21 LEU 48 3HD2 LEU 48 -4.265 0.324 20.170 375 HD22 LEU 48 1HD2 LEU 48 -2.877 -0.750 19.998 376 HD23 LEU 48 2HD2 LEU 48 -4.473 -1.419 20.338 377 H ARG 49 H ARG 49 -4.948 -5.678 17.672 378 HA ARG 49 HA ARG 49 -7.785 -5.749 16.903 379 HB2 ARG 49 2HB ARG 49 -5.352 -7.058 15.883 380 HB3 ARG 49 3HB ARG 49 -6.756 -8.110 16.008 381 HG2 ARG 49 2HG ARG 49 -8.045 -6.573 14.627 382 HG3 ARG 49 3HG ARG 49 -6.652 -5.495 14.518 383 HD2 ARG 49 2HD ARG 49 -5.428 -7.028 13.231 384 HD3 ARG 49 3HD ARG 49 -6.498 -8.365 13.653 385 HE ARG 49 HE ARG 49 -6.820 -6.548 11.495 386 HH11 ARG 49 1HH1 ARG 49 -8.600 -8.380 13.861 387 HH12 ARG 49 2HH1 ARG 49 -10.030 -8.493 12.889 388 HH21 ARG 49 1HH2 ARG 49 -8.697 -6.689 10.206 389 HH22 ARG 49 2HH2 ARG 49 -10.084 -7.532 10.810 390 HA PRO 50 HA PRO 50 -8.844 -8.402 20.235 391 HB2 PRO 50 2HB PRO 50 -10.734 -9.976 19.085 392 HB3 PRO 50 3HB PRO 50 -11.014 -8.278 19.490 393 HG2 PRO 50 2HG PRO 50 -10.317 -9.506 16.850 394 HG3 PRO 50 3HG PRO 50 -11.502 -8.239 17.217 395 HD2 PRO 50 2HD PRO 50 -9.051 -7.692 16.203 396 HD3 PRO 50 3HD PRO 50 -9.896 -6.588 17.307 397 H SER 51 H SER 51 -8.545 -10.211 17.172 398 HA SER 51 HA SER 51 -8.048 -12.720 18.251 399 HB2 SER 51 2HB SER 51 -6.726 -11.739 15.724 400 HB3 SER 51 3HB SER 51 -7.285 -13.368 16.104 401 HG SER 51 HG SER 51 -9.208 -12.840 15.443 402 H VAL 52 H VAL 52 -5.832 -10.056 17.617 403 HA VAL 52 HA VAL 52 -3.425 -11.442 18.087 404 HB VAL 52 HB VAL 52 -4.066 -8.512 18.444 405 HG11 VAL 52 1HG1 VAL 52 -1.344 -8.836 17.893 406 HG12 VAL 52 2HG1 VAL 52 -2.074 -8.309 19.411 407 HG13 VAL 52 3HG1 VAL 52 -1.716 -10.017 19.149 408 HG21 VAL 52 3HG2 VAL 52 -2.520 -8.631 16.260 409 HG22 VAL 52 1HG2 VAL 52 -3.297 -10.210 16.149 410 HG23 VAL 52 2HG2 VAL 52 -4.279 -8.746 16.199 411 H ASN 53 H ASN 53 -2.422 -12.060 19.900 412 HA ASN 53 HA ASN 53 -3.677 -11.357 22.461 413 HB2 ASN 53 2HB ASN 53 -2.180 -13.365 23.231 414 HB3 ASN 53 3HB ASN 53 -3.682 -13.675 22.366 415 HD21 ASN 53 1HD2 ASN 53 -0.331 -14.108 22.416 416 HD22 ASN 53 2HD2 ASN 53 -0.159 -14.859 20.869 417 H THR 54 H THR 54 -1.821 -11.756 24.289 418 HA THR 54 HA THR 54 -0.224 -9.465 24.220 419 HB THR 54 HB THR 54 0.862 -11.545 25.954 420 HG1 THR 54 HG1 THR 54 -1.064 -12.447 26.246 421 HG21 THR 54 3HG2 THR 54 0.442 -9.871 27.669 422 HG22 THR 54 1HG2 THR 54 -0.541 -8.935 26.545 423 HG23 THR 54 2HG2 THR 54 1.189 -9.120 26.260 424 H ARG 55 H ARG 55 0.558 -12.839 23.502 425 HA ARG 55 HA ARG 55 3.321 -12.602 23.244 426 HB2 ARG 55 2HB ARG 55 1.699 -14.679 23.106 427 HB3 ARG 55 3HB ARG 55 1.803 -14.374 21.377 428 HG2 ARG 55 2HG ARG 55 4.164 -14.703 21.385 429 HG3 ARG 55 3HG ARG 55 4.202 -14.761 23.149 430 HD2 ARG 55 2HD ARG 55 4.349 -17.002 22.353 431 HD3 ARG 55 3HD ARG 55 2.735 -16.784 23.028 432 HE ARG 55 HE ARG 55 2.441 -16.240 20.371 433 HH11 ARG 55 1HH1 ARG 55 3.666 -18.930 22.210 434 HH12 ARG 55 2HH1 ARG 55 3.209 -20.113 21.030 435 HH21 ARG 55 1HH2 ARG 55 1.834 -17.788 18.810 436 HH22 ARG 55 2HH2 ARG 55 2.168 -19.463 19.096 437 H ARG 56 H ARG 56 0.861 -12.439 20.664 438 HA ARG 56 HA ARG 56 2.563 -11.816 18.561 439 HB2 ARG 56 2HB ARG 56 -0.332 -11.440 19.108 440 HB3 ARG 56 3HB ARG 56 0.356 -10.503 17.789 441 HG2 ARG 56 2HG ARG 56 0.117 -12.264 16.476 442 HG3 ARG 56 3HG ARG 56 1.309 -13.118 17.458 443 HD2 ARG 56 2HD ARG 56 -0.306 -14.199 18.711 444 HD3 ARG 56 3HD ARG 56 -1.536 -12.988 18.356 445 HE ARG 56 HE ARG 56 -2.130 -14.213 16.529 446 HH11 ARG 56 1HH1 ARG 56 1.103 -15.107 17.461 447 HH12 ARG 56 2HH1 ARG 56 1.227 -16.382 16.295 448 HH21 ARG 56 1HH2 ARG 56 -1.979 -15.889 14.990 449 HH22 ARG 56 2HH2 ARG 56 -0.526 -16.825 14.889 450 H LYS 57 H LYS 57 0.908 -9.649 20.825 451 HA LYS 57 HA LYS 57 1.622 -7.212 19.687 452 HB2 LYS 57 2HB LYS 57 0.985 -8.078 22.485 453 HB3 LYS 57 3HB LYS 57 1.531 -6.434 22.184 454 HG2 LYS 57 2HG LYS 57 -0.406 -5.823 21.213 455 HG3 LYS 57 3HG LYS 57 -0.645 -7.397 20.449 456 HD2 LYS 57 2HD LYS 57 -1.136 -8.254 22.816 457 HD3 LYS 57 3HD LYS 57 -1.292 -6.552 23.258 458 HE2 LYS 57 2HE LYS 57 -2.873 -6.522 21.138 459 HE3 LYS 57 3HE LYS 57 -3.019 -8.237 21.518 460 HZ1 LYS 57 3HZ LYS 57 -4.748 -6.980 22.608 461 HZ2 LYS 57 1HZ LYS 57 -3.607 -5.985 23.362 462 HZ3 LYS 57 2HZ LYS 57 -3.699 -7.623 23.769 463 H LEU 58 H LEU 58 3.273 -8.928 22.346 464 HA LEU 58 HA LEU 58 5.434 -7.240 22.651 465 HB2 LEU 58 2HB LEU 58 5.045 -9.016 24.201 466 HB3 LEU 58 3HB LEU 58 5.255 -10.231 22.942 467 HG LEU 58 HG LEU 58 7.664 -8.811 23.006 468 HD11 LEU 58 1HD1 LEU 58 8.272 -9.227 25.443 469 HD12 LEU 58 2HD1 LEU 58 6.537 -9.264 25.751 470 HD13 LEU 58 3HD1 LEU 58 7.284 -7.809 25.091 471 HD21 LEU 58 3HD2 LEU 58 7.656 -11.102 22.520 472 HD22 LEU 58 1HD2 LEU 58 6.771 -11.503 23.992 473 HD23 LEU 58 2HD2 LEU 58 8.455 -10.986 24.089 474 H LEU 59 H LEU 59 5.197 -10.080 20.518 475 HA LEU 59 HA LEU 59 7.728 -10.003 19.408 476 HB2 LEU 59 2HB LEU 59 5.075 -10.858 18.302 477 HB3 LEU 59 3HB LEU 59 6.550 -10.978 17.345 478 HG LEU 59 HG LEU 59 5.979 -12.396 19.947 479 HD11 LEU 59 1HD1 LEU 59 5.918 -13.192 17.073 480 HD12 LEU 59 2HD1 LEU 59 4.801 -13.592 18.377 481 HD13 LEU 59 3HD1 LEU 59 6.378 -14.377 18.296 482 HD21 LEU 59 3HD2 LEU 59 8.442 -12.259 18.229 483 HD22 LEU 59 1HD2 LEU 59 8.136 -13.589 19.346 484 HD23 LEU 59 2HD2 LEU 59 8.290 -11.941 19.958 485 H GLY 60 H GLY 60 4.781 -8.379 18.234 486 HA2 GLY 60 2HA GLY 60 5.949 -7.121 16.015 487 HA3 GLY 60 3HA GLY 60 4.501 -6.574 16.847 488 H LEU 61 H LEU 61 5.855 -6.192 19.398 489 HA LEU 61 HA LEU 61 6.644 -3.506 19.072 490 HB2 LEU 61 2HB LEU 61 5.884 -5.066 21.172 491 HB3 LEU 61 3HB LEU 61 7.605 -4.862 21.489 492 HG LEU 61 HG LEU 61 5.514 -2.702 21.273 493 HD11 LEU 61 1HD1 LEU 61 6.584 -4.223 23.437 494 HD12 LEU 61 2HD1 LEU 61 5.365 -2.949 23.469 495 HD13 LEU 61 3HD1 LEU 61 7.074 -2.538 23.614 496 HD21 LEU 61 3HD2 LEU 61 7.575 -1.972 20.180 497 HD22 LEU 61 1HD2 LEU 61 8.499 -2.424 21.613 498 HD23 LEU 61 2HD2 LEU 61 7.319 -1.116 21.701 499 H TYR 62 H TYR 62 8.523 -6.453 19.704 500 HA TYR 62 HA TYR 62 11.041 -5.137 19.747 501 HB2 TYR 62 2HB TYR 62 10.186 -8.009 19.498 502 HB3 TYR 62 3HB TYR 62 11.878 -7.553 19.332 503 HD1 TYR 62 HD1 TYR 62 12.767 -5.986 21.293 504 HD2 TYR 62 HD2 TYR 62 9.434 -8.612 21.593 505 HE1 TYR 62 HE1 TYR 62 13.020 -6.018 23.739 506 HE2 TYR 62 HE2 TYR 62 9.677 -8.651 24.040 507 HH TYR 62 HH TYR 62 11.144 -8.178 25.752 508 H LEU 63 H LEU 63 9.103 -6.627 17.233 509 HA LEU 63 HA LEU 63 11.109 -6.701 15.235 510 HB2 LEU 63 2HB LEU 63 9.108 -8.044 15.060 511 HB3 LEU 63 3HB LEU 63 8.105 -6.596 15.017 512 HG LEU 63 HG LEU 63 9.289 -6.015 12.847 513 HD11 LEU 63 1HD1 LEU 63 11.184 -7.570 13.184 514 HD12 LEU 63 2HD1 LEU 63 10.364 -7.796 11.640 515 HD13 LEU 63 3HD1 LEU 63 10.074 -8.923 12.965 516 HD21 LEU 63 3HD2 LEU 63 7.891 -7.591 11.538 517 HD22 LEU 63 1HD2 LEU 63 7.017 -6.803 12.852 518 HD23 LEU 63 2HD2 LEU 63 7.553 -8.475 13.028 519 H MET 64 H MET 64 8.408 -4.429 15.752 520 HA MET 64 HA MET 64 9.173 -2.629 13.725 521 HB2 MET 64 2HB MET 64 7.529 -1.166 14.589 522 HB3 MET 64 3HB MET 64 6.919 -2.788 14.887 523 HG2 MET 64 2HG MET 64 6.507 -1.938 16.926 524 HG3 MET 64 3HG MET 64 8.190 -2.382 17.199 525 HE1 MET 64 3HE MET 64 6.865 1.100 18.818 526 HE2 MET 64 1HE MET 64 6.512 -0.629 18.827 527 HE3 MET 64 2HE MET 64 8.083 -0.047 19.379 528 H ASN 65 H ASN 65 10.070 -2.918 17.103 529 HA ASN 65 HA ASN 65 11.356 -0.383 17.294 530 HB2 ASN 65 2HB ASN 65 10.528 -1.708 19.251 531 HB3 ASN 65 3HB ASN 65 11.845 -2.845 18.982 532 HD21 ASN 65 1HD2 ASN 65 12.735 -2.433 20.996 533 HD22 ASN 65 2HD2 ASN 65 13.570 -0.962 21.351 534 H HIS 66 H HIS 66 12.390 -3.619 16.405 535 HA HIS 66 HA HIS 66 15.183 -3.054 16.412 536 HB2 HIS 66 2HB HIS 66 14.253 -5.347 16.589 537 HB3 HIS 66 3HB HIS 66 13.690 -5.226 14.925 538 HD1 HIS 66 HD1 HIS 66 16.605 -6.123 16.940 539 HD2 HIS 66 HD2 HIS 66 15.855 -5.059 12.995 540 HE1 HIS 66 HE1 HIS 66 18.653 -6.816 15.656 541 H VAL 67 H VAL 67 12.688 -3.111 13.898 542 HA VAL 67 HA VAL 67 14.451 -2.533 11.746 543 HB VAL 67 HB VAL 67 12.276 -3.554 11.341 544 HG11 VAL 67 1HG1 VAL 67 10.207 -2.347 11.604 545 HG12 VAL 67 2HG1 VAL 67 11.063 -2.366 13.147 546 HG13 VAL 67 3HG1 VAL 67 11.071 -0.910 12.150 547 HG21 VAL 67 3HG2 VAL 67 12.498 -2.688 9.307 548 HG22 VAL 67 1HG2 VAL 67 11.559 -1.290 9.830 549 HG23 VAL 67 2HG2 VAL 67 13.318 -1.272 9.962 550 H VAL 68 H VAL 68 12.461 -0.545 13.877 551 HA VAL 68 HA VAL 68 12.858 1.902 12.506 552 HB VAL 68 HB VAL 68 12.053 1.278 15.341 553 HG11 VAL 68 1HG1 VAL 68 11.422 3.727 15.443 554 HG12 VAL 68 2HG1 VAL 68 13.146 3.364 15.547 555 HG13 VAL 68 3HG1 VAL 68 12.458 3.957 14.034 556 HG21 VAL 68 3HG2 VAL 68 10.292 2.750 13.492 557 HG22 VAL 68 1HG2 VAL 68 10.628 1.073 13.061 558 HG23 VAL 68 2HG2 VAL 68 9.917 1.456 14.630 559 H GLN 69 H GLN 69 14.407 0.537 15.409 560 HA GLN 69 HA GLN 69 16.180 2.593 15.948 561 HB2 GLN 69 2HB GLN 69 16.085 -0.309 16.523 562 HB3 GLN 69 3HB GLN 69 17.662 0.456 16.673 563 HG2 GLN 69 2HG GLN 69 16.889 1.944 18.335 564 HG3 GLN 69 3HG GLN 69 15.205 1.525 18.026 565 HE21 GLN 69 1HE2 GLN 69 14.697 0.835 20.046 566 HE22 GLN 69 2HE2 GLN 69 15.387 -0.565 20.786 567 H GLN 70 H GLN 70 16.405 0.013 13.577 568 HA GLN 70 HA GLN 70 19.128 0.543 12.878 569 HB2 GLN 70 2HB GLN 70 16.936 -1.158 11.770 570 HB3 GLN 70 3HB GLN 70 18.342 -0.827 10.768 571 HG2 GLN 70 2HG GLN 70 18.434 -2.044 13.519 572 HG3 GLN 70 3HG GLN 70 18.510 -2.945 12.006 573 HE21 GLN 70 1HE2 GLN 70 20.369 -2.871 10.770 574 HE22 GLN 70 2HE2 GLN 70 21.863 -2.247 11.372 575 H ALA 71 H ALA 71 16.011 1.693 11.822 576 HA ALA 71 HA ALA 71 16.556 2.720 9.326 577 HB1 ALA 71 1HB ALA 71 14.380 2.742 10.763 578 HB2 ALA 71 2HB ALA 71 14.942 4.345 11.241 579 HB3 ALA 71 3HB ALA 71 14.644 3.986 9.540 580 H LYS 72 H LYS 72 17.425 4.020 12.475 581 HA LYS 72 HA LYS 72 18.196 6.591 11.747 582 HB2 LYS 72 2HB LYS 72 19.503 4.825 13.825 583 HB3 LYS 72 3HB LYS 72 19.590 6.580 13.750 584 HG2 LYS 72 2HG LYS 72 17.069 6.576 13.991 585 HG3 LYS 72 3HG LYS 72 17.213 4.864 14.397 586 HD2 LYS 72 2HD LYS 72 18.671 7.078 15.837 587 HD3 LYS 72 3HD LYS 72 17.140 6.384 16.376 588 HE2 LYS 72 2HE LYS 72 18.111 4.482 17.108 589 HE3 LYS 72 3HE LYS 72 19.283 4.449 15.792 590 HZ1 LYS 72 3HZ LYS 72 20.712 5.854 16.919 591 HZ2 LYS 72 1HZ LYS 72 20.110 4.880 18.165 592 HZ3 LYS 72 2HZ LYS 72 19.508 6.446 17.950 593 H GLY 73 H GLY 73 19.885 3.532 11.408 594 HA2 GLY 73 2HA GLY 73 22.398 4.716 10.682 595 HA3 GLY 73 3HA GLY 73 21.961 3.021 10.529 596 H GLN 74 H GLN 74 19.488 4.346 9.036 597 HA GLN 74 HA GLN 74 20.857 4.397 6.429 598 HB2 GLN 74 2HB GLN 74 17.942 3.769 6.858 599 HB3 GLN 74 3HB GLN 74 18.919 3.463 5.428 600 HG2 GLN 74 2HG GLN 74 18.944 2.021 8.054 601 HG3 GLN 74 3HG GLN 74 18.635 1.377 6.442 602 HE21 GLN 74 1HE2 GLN 74 20.613 0.704 8.590 603 HE22 GLN 74 2HE2 GLN 74 22.145 0.717 7.792 604 H LYS 75 H LYS 75 20.140 6.590 8.437 605 HA LYS 75 HA LYS 75 19.348 8.727 8.432 606 HB2 LYS 75 2HB LYS 75 19.839 8.423 5.463 607 HB3 LYS 75 3HB LYS 75 19.622 9.952 6.305 608 HG2 LYS 75 2HG LYS 75 21.809 8.029 7.029 609 HG3 LYS 75 3HG LYS 75 21.999 9.248 5.767 610 HD2 LYS 75 2HD LYS 75 21.091 9.961 8.542 611 HD3 LYS 75 3HD LYS 75 22.802 9.848 8.120 612 HE2 LYS 75 2HE LYS 75 20.774 11.621 6.761 613 HE3 LYS 75 3HE LYS 75 21.948 12.150 7.965 614 HZ1 LYS 75 3HZ LYS 75 23.459 10.868 6.102 615 HZ2 LYS 75 1HZ LYS 75 23.274 12.544 6.241 616 HZ3 LYS 75 2HZ LYS 75 22.303 11.673 5.164 617 H ILE 76 H ILE 76 17.263 7.220 8.797 618 HA ILE 76 HA ILE 76 15.222 8.210 6.915 619 HB ILE 76 HB ILE 76 14.938 5.703 8.559 620 HG12 ILE 76 2HG1 ILE 76 15.831 5.959 5.679 621 HG13 ILE 76 3HG1 ILE 76 16.833 5.424 7.024 622 HG21 ILE 76 1HG2 ILE 76 12.859 5.679 7.787 623 HG22 ILE 76 2HG2 ILE 76 13.147 7.245 7.031 624 HG23 ILE 76 3HG2 ILE 76 13.443 5.762 6.125 625 HD11 ILE 76 3HD1 ILE 76 14.454 4.017 5.845 626 HD12 ILE 76 1HD1 ILE 76 16.142 3.507 5.802 627 HD13 ILE 76 2HD1 ILE 76 15.261 3.515 7.330 628 H ILE 77 H ILE 77 13.604 9.382 7.746 629 HA ILE 77 HA ILE 77 13.367 9.504 10.682 630 HB ILE 77 HB ILE 77 12.689 11.721 8.750 631 HG12 ILE 77 2HG1 ILE 77 15.137 11.410 10.501 632 HG13 ILE 77 3HG1 ILE 77 15.113 11.238 8.749 633 HG21 ILE 77 1HG2 ILE 77 11.435 11.869 10.792 634 HG22 ILE 77 2HG2 ILE 77 12.890 11.613 11.754 635 HG23 ILE 77 3HG2 ILE 77 12.701 13.097 10.820 636 HD11 ILE 77 3HD1 ILE 77 14.055 13.685 8.968 637 HD12 ILE 77 1HD1 ILE 77 15.054 13.662 10.421 638 HD13 ILE 77 2HD1 ILE 77 15.788 13.382 8.841 639 H GLN 78 H GLN 78 11.734 9.078 7.667 640 HA GLN 78 HA GLN 78 9.093 9.617 8.434 641 HB2 GLN 78 2HB GLN 78 10.188 7.677 6.395 642 HB3 GLN 78 3HB GLN 78 8.480 8.061 6.563 643 HG2 GLN 78 2HG GLN 78 10.700 9.932 5.783 644 HG3 GLN 78 3HG GLN 78 9.383 9.348 4.768 645 HE21 GLN 78 1HE2 GLN 78 10.437 11.789 6.817 646 HE22 GLN 78 2HE2 GLN 78 8.941 12.634 7.000 647 H PHE 79 H PHE 79 11.153 6.862 8.997 648 HA PHE 79 HA PHE 79 9.118 5.027 9.732 649 HB2 PHE 79 2HB PHE 79 12.041 5.113 9.756 650 HB3 PHE 79 3HB PHE 79 11.367 4.216 11.113 651 HD1 PHE 79 HD2 PHE 79 9.114 2.827 10.118 652 HD2 PHE 79 HD1 PHE 79 12.778 3.684 8.129 653 HE1 PHE 79 HE2 PHE 79 8.774 0.876 8.659 654 HE2 PHE 79 HE1 PHE 79 12.444 1.734 6.666 655 HZ PHE 79 HZ PHE 79 10.441 0.326 6.930 656 H GLN 80 H GLN 80 11.299 7.078 11.654 657 HA GLN 80 HA GLN 80 10.349 6.343 14.178 658 HB2 GLN 80 2HB GLN 80 11.449 9.034 13.353 659 HB3 GLN 80 3HB GLN 80 11.376 8.397 14.991 660 HG2 GLN 80 2HG GLN 80 13.014 6.762 14.532 661 HG3 GLN 80 3HG GLN 80 12.914 7.047 12.796 662 HE21 GLN 80 1HE2 GLN 80 15.313 7.168 13.282 663 HE22 GLN 80 2HE2 GLN 80 15.949 8.739 13.617 664 H ASP 81 H ASP 81 9.255 8.843 11.938 665 HA ASP 81 HA ASP 81 7.314 9.939 13.725 666 HB2 ASP 81 2HB ASP 81 8.300 11.233 11.860 667 HB3 ASP 81 3HB ASP 81 7.487 10.171 10.713 668 H SER 82 H SER 82 7.162 7.708 10.969 669 HA SER 82 HA SER 82 4.378 7.362 10.948 670 HB2 SER 82 2HB SER 82 4.827 5.312 9.662 671 HB3 SER 82 3HB SER 82 5.821 6.652 9.091 672 HG SER 82 HG SER 82 6.580 4.272 10.134 673 H PHE 83 H PHE 83 6.901 5.309 12.405 674 HA PHE 83 HA PHE 83 4.996 3.641 13.738 675 HB2 PHE 83 2HB PHE 83 7.959 3.844 13.614 676 HB3 PHE 83 3HB PHE 83 7.271 3.054 15.029 677 HD1 PHE 83 HD2 PHE 83 5.119 1.483 14.166 678 HD2 PHE 83 HD1 PHE 83 8.731 2.335 12.082 679 HE1 PHE 83 HE2 PHE 83 4.864 -0.599 12.880 680 HE2 PHE 83 HE1 PHE 83 8.481 0.255 10.791 681 HZ PHE 83 HZ PHE 83 6.546 -1.215 11.190 682 H GLY 84 H GLY 84 6.454 6.656 14.427 683 HA2 GLY 84 2HA GLY 84 6.227 6.457 17.300 684 HA3 GLY 84 3HA GLY 84 6.653 7.893 16.381 685 H LYS 85 H LYS 85 4.361 7.893 14.674 686 HA LYS 85 HA LYS 85 2.554 9.322 16.320 687 HB2 LYS 85 2HB LYS 85 1.173 9.513 14.310 688 HB3 LYS 85 3HB LYS 85 2.861 9.845 13.945 689 HG2 LYS 85 2HG LYS 85 3.085 8.009 12.637 690 HG3 LYS 85 3HG LYS 85 1.930 7.061 13.576 691 HD2 LYS 85 2HD LYS 85 0.952 7.482 11.439 692 HD3 LYS 85 3HD LYS 85 0.111 8.492 12.617 693 HE2 LYS 85 2HE LYS 85 1.120 10.440 11.852 694 HE3 LYS 85 3HE LYS 85 2.450 9.568 11.092 695 HZ1 LYS 85 3HZ LYS 85 0.197 10.505 9.851 696 HZ2 LYS 85 1HZ LYS 85 -0.066 8.838 9.972 697 HZ3 LYS 85 2HZ LYS 85 1.322 9.422 9.202 698 H VAL 86 H VAL 86 2.909 6.011 15.675 699 HA VAL 86 HA VAL 86 0.187 5.478 16.677 700 HB VAL 86 HB VAL 86 0.228 3.338 15.537 701 HG11 VAL 86 1HG1 VAL 86 -0.356 4.155 13.502 702 HG12 VAL 86 2HG1 VAL 86 -0.224 5.691 14.362 703 HG13 VAL 86 3HG1 VAL 86 1.106 5.128 13.349 704 HG21 VAL 86 3HG2 VAL 86 3.047 4.117 14.955 705 HG22 VAL 86 1HG2 VAL 86 2.390 2.563 15.468 706 HG23 VAL 86 2HG2 VAL 86 2.182 3.101 13.801 707 H ALA 87 H ALA 87 3.366 5.492 17.528 708 HA ALA 87 HA ALA 87 3.560 3.027 18.959 709 HB1 ALA 87 1HB ALA 87 5.199 5.482 18.700 710 HB2 ALA 87 2HB ALA 87 5.451 4.484 20.133 711 HB3 ALA 87 3HB ALA 87 5.656 3.787 18.526 712 H ALA 88 H ALA 88 2.999 6.401 19.951 713 HA ALA 88 HA ALA 88 2.737 5.940 22.693 714 HB1 ALA 88 1HB ALA 88 2.999 8.171 21.959 715 HB2 ALA 88 2HB ALA 88 1.581 8.073 20.915 716 HB3 ALA 88 3HB ALA 88 1.387 8.075 22.668 717 H GLU 89 H GLU 89 0.481 5.485 20.069 718 HA GLU 89 HA GLU 89 -1.814 5.182 21.782 719 HB2 GLU 89 2HB GLU 89 -1.795 5.963 19.331 720 HB3 GLU 89 3HB GLU 89 -1.630 4.261 18.923 721 HG2 GLU 89 2HG GLU 89 -3.922 4.758 18.768 722 HG3 GLU 89 3HG GLU 89 -3.717 3.849 20.264 723 H VAL 90 H VAL 90 -0.030 2.948 19.646 724 HA VAL 90 HA VAL 90 -1.286 0.604 20.518 725 HB VAL 90 HB VAL 90 1.510 0.932 19.420 726 HG11 VAL 90 1HG1 VAL 90 -0.229 -1.517 19.687 727 HG12 VAL 90 2HG1 VAL 90 1.278 -1.445 18.772 728 HG13 VAL 90 3HG1 VAL 90 1.293 -1.205 20.519 729 HG21 VAL 90 3HG2 VAL 90 -0.637 -0.139 17.724 730 HG22 VAL 90 1HG2 VAL 90 -0.811 1.560 18.167 731 HG23 VAL 90 2HG2 VAL 90 0.647 1.008 17.343 732 H LEU 91 H LEU 91 1.937 1.840 21.428 733 HA LEU 91 HA LEU 91 2.576 -0.028 23.350 734 HB2 LEU 91 2HB LEU 91 3.205 2.920 23.363 735 HB3 LEU 91 3HB LEU 91 4.015 1.705 24.350 736 HG LEU 91 HG LEU 91 4.037 1.585 21.346 737 HD11 LEU 91 1HD1 LEU 91 4.925 3.768 22.070 738 HD12 LEU 91 2HD1 LEU 91 6.161 2.730 21.359 739 HD13 LEU 91 3HD1 LEU 91 6.079 2.931 23.109 740 HD21 LEU 91 3HD2 LEU 91 4.698 -0.329 23.030 741 HD22 LEU 91 1HD2 LEU 91 6.194 0.598 23.143 742 HD23 LEU 91 2HD2 LEU 91 5.655 -0.016 21.580 743 H GLY 92 H GLY 92 0.483 2.783 23.618 744 HA2 GLY 92 2HA GLY 92 0.202 2.598 26.470 745 HA3 GLY 92 3HA GLY 92 -0.759 3.597 25.390 746 H ARG 93 H ARG 93 -1.498 1.292 23.708 747 HA ARG 93 HA ARG 93 -3.792 0.467 25.241 748 HB2 ARG 93 2HB ARG 93 -2.908 0.253 22.412 749 HB3 ARG 93 3HB ARG 93 -4.046 -0.958 22.987 750 HG2 ARG 93 2HG ARG 93 -4.469 2.018 23.163 751 HG3 ARG 93 3HG ARG 93 -5.135 0.970 21.908 752 HD2 ARG 93 2HD ARG 93 -6.084 -0.377 23.925 753 HD3 ARG 93 3HD ARG 93 -5.814 1.120 24.816 754 HE ARG 93 HE ARG 93 -7.862 0.607 22.875 755 HH11 ARG 93 1HH1 ARG 93 -5.913 3.074 24.372 756 HH12 ARG 93 2HH1 ARG 93 -7.048 4.344 24.058 757 HH21 ARG 93 1HH2 ARG 93 -9.364 2.272 22.456 758 HH22 ARG 93 2HH2 ARG 93 -9.011 3.887 22.969 759 H ILE 94 H ILE 94 -0.804 -0.976 24.103 760 HA ILE 94 HA ILE 94 -1.571 -3.639 24.927 761 HB ILE 94 HB ILE 94 0.634 -4.331 24.225 762 HG12 ILE 94 2HG1 ILE 94 1.215 -1.381 23.881 763 HG13 ILE 94 3HG1 ILE 94 1.913 -2.434 25.107 764 HG21 ILE 94 1HG2 ILE 94 -0.045 -2.363 22.106 765 HG22 ILE 94 2HG2 ILE 94 0.296 -4.088 21.982 766 HG23 ILE 94 3HG2 ILE 94 -1.272 -3.540 22.573 767 HD11 ILE 94 3HD1 ILE 94 2.999 -3.743 23.355 768 HD12 ILE 94 1HD1 ILE 94 2.309 -2.674 22.134 769 HD13 ILE 94 2HD1 ILE 94 3.475 -2.045 23.299 770 H ASN 95 H ASN 95 0.160 -0.925 26.239 771 HA ASN 95 HA ASN 95 1.652 -2.218 28.228 772 HB2 ASN 95 2HB ASN 95 2.148 0.064 27.755 773 HB3 ASN 95 3HB ASN 95 0.488 0.562 28.071 774 HD21 ASN 95 1HD2 ASN 95 -0.200 0.842 30.165 775 HD22 ASN 95 2HD2 ASN 95 0.884 0.871 31.511 776 H GLN 96 H GLN 96 -1.717 -1.317 28.069 777 HA GLN 96 HA GLN 96 -2.177 -1.854 30.877 778 HB2 GLN 96 2HB GLN 96 -4.566 -1.427 30.289 779 HB3 GLN 96 3HB GLN 96 -3.484 -0.098 29.895 780 HG2 GLN 96 2HG GLN 96 -3.510 -0.686 27.573 781 HG3 GLN 96 3HG GLN 96 -4.428 -2.152 27.911 782 HE21 GLN 96 1HE2 GLN 96 -4.539 1.320 27.700 783 HE22 GLN 96 2HE2 GLN 96 -6.260 1.463 27.652 784 H GLU 97 H GLU 97 -2.653 -3.441 27.783 785 HA GLU 97 HA GLU 97 -4.189 -5.609 28.879 786 HB2 GLU 97 2HB GLU 97 -2.843 -5.234 26.201 787 HB3 GLU 97 3HB GLU 97 -3.817 -6.637 26.618 788 HG2 GLU 97 2HG GLU 97 -4.886 -3.838 26.768 789 HG3 GLU 97 3HG GLU 97 -4.948 -4.801 25.293 790 H PHE 98 H PHE 98 -0.875 -4.839 28.652 791 HA PHE 98 HA PHE 98 0.100 -7.547 28.671 792 HB2 PHE 98 2HB PHE 98 1.323 -4.830 28.830 793 HB3 PHE 98 3HB PHE 98 2.262 -6.198 29.419 794 HD1 PHE 98 HD2 PHE 98 -0.114 -6.499 26.645 795 HD2 PHE 98 HD1 PHE 98 3.967 -6.001 27.747 796 HE1 PHE 98 HE2 PHE 98 0.569 -7.018 24.339 797 HE2 PHE 98 HE1 PHE 98 4.656 -6.519 25.442 798 HZ PHE 98 HZ PHE 98 2.956 -7.030 23.735 799 HA PRO 99 HA PRO 99 -0.250 -8.317 32.992 800 HB2 PRO 99 2HB PRO 99 1.643 -10.249 33.229 801 HB3 PRO 99 3HB PRO 99 0.073 -10.531 32.467 802 HG2 PRO 99 2HG PRO 99 2.725 -9.977 31.193 803 HG3 PRO 99 3HG PRO 99 1.486 -11.158 30.730 804 HD2 PRO 99 2HD PRO 99 1.782 -8.783 29.463 805 HD3 PRO 99 3HD PRO 99 0.205 -9.576 29.648 806 H ARG 100 H ARG 100 1.215 -8.563 34.961 807 HA ARG 100 HA ARG 100 2.806 -6.252 35.221 808 HB2 ARG 100 2HB ARG 100 1.554 -7.613 37.032 809 HB3 ARG 100 3HB ARG 100 3.003 -8.608 37.075 810 HG2 ARG 100 2HG ARG 100 3.311 -7.066 38.790 811 HG3 ARG 100 3HG ARG 100 4.274 -6.425 37.457 812 HD2 ARG 100 2HD ARG 100 2.492 -4.874 36.888 813 HD3 ARG 100 3HD ARG 100 1.476 -5.548 38.163 814 HE ARG 100 HE ARG 100 3.517 -3.595 38.468 815 HH11 ARG 100 1HH1 ARG 100 2.017 -6.310 40.049 816 HH12 ARG 100 2HH1 ARG 100 2.401 -5.758 41.646 817 HH21 ARG 100 1HH2 ARG 100 4.028 -2.859 40.565 818 HH22 ARG 100 2HH2 ARG 100 3.544 -3.795 41.939 819 H ASP 101 H ASP 101 3.527 -9.455 34.183 820 HA ASP 101 HA ASP 101 6.336 -9.373 34.735 821 HB2 ASP 101 2HB ASP 101 4.760 -11.429 34.324 822 HB3 ASP 101 3HB ASP 101 5.145 -11.141 32.630 823 H LEU 102 H LEU 102 4.383 -9.023 31.780 824 HA LEU 102 HA LEU 102 6.591 -8.420 30.104 825 HB2 LEU 102 2HB LEU 102 3.641 -7.901 29.787 826 HB3 LEU 102 3HB LEU 102 4.834 -7.606 28.524 827 HG LEU 102 HG LEU 102 4.031 -10.265 29.694 828 HD11 LEU 102 1HD1 LEU 102 2.949 -8.765 27.625 829 HD12 LEU 102 2HD1 LEU 102 2.697 -10.483 27.931 830 HD13 LEU 102 3HD1 LEU 102 3.965 -9.963 26.822 831 HD21 LEU 102 3HD2 LEU 102 6.100 -10.946 29.222 832 HD22 LEU 102 1HD2 LEU 102 6.492 -9.442 28.388 833 HD23 LEU 102 2HD2 LEU 102 5.668 -10.740 27.524 834 H LYS 103 H LYS 103 4.548 -6.520 32.178 835 HA LYS 103 HA LYS 103 4.834 -3.977 31.150 836 HB2 LYS 103 2HB LYS 103 4.524 -5.063 33.915 837 HB3 LYS 103 3HB LYS 103 4.893 -3.354 33.722 838 HG2 LYS 103 2HG LYS 103 2.834 -3.820 31.922 839 HG3 LYS 103 3HG LYS 103 2.398 -4.759 33.352 840 HD2 LYS 103 2HD LYS 103 2.350 -2.875 34.723 841 HD3 LYS 103 3HD LYS 103 3.323 -1.918 33.603 842 HE2 LYS 103 2HE LYS 103 0.941 -1.252 33.639 843 HE3 LYS 103 3HE LYS 103 1.487 -1.784 32.050 844 HZ1 LYS 103 3HZ LYS 103 -0.715 -2.668 32.727 845 HZ2 LYS 103 1HZ LYS 103 0.047 -3.531 33.968 846 HZ3 LYS 103 2HZ LYS 103 0.414 -3.871 32.352 847 H LYS 104 H LYS 104 7.083 -5.786 33.199 848 HA LYS 104 HA LYS 104 8.963 -3.682 33.491 849 HB2 LYS 104 2HB LYS 104 9.521 -6.645 33.656 850 HB3 LYS 104 3HB LYS 104 10.440 -5.346 34.404 851 HG2 LYS 104 2HG LYS 104 7.573 -5.940 35.087 852 HG3 LYS 104 3HG LYS 104 8.947 -6.649 35.941 853 HD2 LYS 104 2HD LYS 104 8.718 -3.679 35.601 854 HD3 LYS 104 3HD LYS 104 7.849 -4.509 36.894 855 HE2 LYS 104 2HE LYS 104 10.149 -5.566 37.431 856 HE3 LYS 104 3HE LYS 104 10.802 -4.244 36.464 857 HZ1 LYS 104 3HZ LYS 104 10.713 -3.733 38.850 858 HZ2 LYS 104 1HZ LYS 104 9.030 -3.896 38.821 859 HZ3 LYS 104 2HZ LYS 104 9.775 -2.664 37.933 860 H LYS 105 H LYS 105 8.640 -6.357 31.209 861 HA LYS 105 HA LYS 105 11.109 -5.990 29.893 862 HB2 LYS 105 2HB LYS 105 8.547 -7.123 28.756 863 HB3 LYS 105 3HB LYS 105 10.167 -7.370 28.119 864 HG2 LYS 105 2HG LYS 105 9.294 -8.255 30.858 865 HG3 LYS 105 3HG LYS 105 9.249 -9.284 29.425 866 HD2 LYS 105 2HD LYS 105 11.700 -8.854 29.145 867 HD3 LYS 105 3HD LYS 105 11.675 -8.033 30.707 868 HE2 LYS 105 2HE LYS 105 12.408 -10.288 31.049 869 HE3 LYS 105 3HE LYS 105 10.786 -10.124 31.720 870 HZ1 LYS 105 3HZ LYS 105 11.628 -12.014 29.922 871 HZ2 LYS 105 1HZ LYS 105 10.711 -10.937 28.993 872 HZ3 LYS 105 2HZ LYS 105 10.027 -11.677 30.351 873 H LEU 106 H LEU 106 7.930 -4.561 29.443 874 HA LEU 106 HA LEU 106 8.670 -3.200 27.014 875 HB2 LEU 106 2HB LEU 106 6.411 -3.694 27.086 876 HB3 LEU 106 3HB LEU 106 6.265 -3.246 28.784 877 HG LEU 106 HG LEU 106 6.397 -0.884 28.182 878 HD11 LEU 106 1HD1 LEU 106 7.822 -1.277 26.148 879 HD12 LEU 106 2HD1 LEU 106 6.508 -0.119 25.942 880 HD13 LEU 106 3HD1 LEU 106 6.349 -1.755 25.302 881 HD21 LEU 106 3HD2 LEU 106 4.248 -0.724 26.979 882 HD22 LEU 106 1HD2 LEU 106 4.206 -1.899 28.293 883 HD23 LEU 106 2HD2 LEU 106 4.342 -2.449 26.623 884 H SER 107 H SER 107 8.171 -2.309 30.407 885 HA SER 107 HA SER 107 8.470 0.432 30.235 886 HB2 SER 107 2HB SER 107 7.840 -0.635 32.319 887 HB3 SER 107 3HB SER 107 9.404 -1.442 32.422 888 HG SER 107 HG SER 107 9.807 0.276 33.611 889 H ARG 108 H ARG 108 10.948 -2.072 30.296 890 HA ARG 108 HA ARG 108 13.139 -0.235 30.447 891 HB2 ARG 108 2HB ARG 108 14.549 -2.175 30.079 892 HB3 ARG 108 3HB ARG 108 13.299 -2.564 31.254 893 HG2 ARG 108 2HG ARG 108 12.123 -3.897 29.734 894 HG3 ARG 108 3HG ARG 108 12.984 -3.226 28.348 895 HD2 ARG 108 2HD ARG 108 15.081 -4.243 29.312 896 HD3 ARG 108 3HD ARG 108 14.044 -5.091 30.459 897 HE ARG 108 HE ARG 108 13.125 -5.559 27.841 898 HH11 ARG 108 1HH1 ARG 108 15.771 -6.360 29.956 899 HH12 ARG 108 2HH1 ARG 108 16.091 -7.883 29.193 900 HH21 ARG 108 1HH2 ARG 108 13.535 -7.561 26.829 901 HH22 ARG 108 2HH2 ARG 108 14.818 -8.564 27.414 902 H VAL 109 H VAL 109 11.237 -1.626 27.902 903 HA VAL 109 HA VAL 109 13.100 -1.118 25.789 904 HB VAL 109 HB VAL 109 10.136 -1.688 25.740 905 HG11 VAL 109 1HG1 VAL 109 11.946 -0.801 23.628 906 HG12 VAL 109 2HG1 VAL 109 11.091 -2.296 23.244 907 HG13 VAL 109 3HG1 VAL 109 10.183 -0.844 23.668 908 HG21 VAL 109 3HG2 VAL 109 12.158 -3.556 24.647 909 HG22 VAL 109 1HG2 VAL 109 12.078 -3.394 26.402 910 HG23 VAL 109 2HG2 VAL 109 10.648 -3.888 25.495 911 H VAL 110 H VAL 110 10.423 0.627 27.250 912 HA VAL 110 HA VAL 110 10.169 2.643 25.291 913 HB VAL 110 HB VAL 110 9.550 2.812 28.244 914 HG11 VAL 110 1HG1 VAL 110 9.497 5.012 27.544 915 HG12 VAL 110 2HG1 VAL 110 8.957 4.592 25.918 916 HG13 VAL 110 3HG1 VAL 110 7.830 4.505 27.272 917 HG21 VAL 110 3HG2 VAL 110 7.242 2.546 26.591 918 HG22 VAL 110 1HG2 VAL 110 8.370 1.244 26.209 919 HG23 VAL 110 2HG2 VAL 110 7.817 1.474 27.868 920 H ASN 111 H ASN 111 12.257 2.286 28.092 921 HA ASN 111 HA ASN 111 13.218 4.944 28.167 922 HB2 ASN 111 2HB ASN 111 14.063 2.333 29.321 923 HB3 ASN 111 3HB ASN 111 15.262 3.621 29.271 924 HD21 ASN 111 1HD2 ASN 111 12.185 2.616 30.553 925 HD22 ASN 111 2HD2 ASN 111 12.104 3.791 31.817 926 H ILE 112 H ILE 112 14.324 2.033 26.504 927 HA ILE 112 HA ILE 112 16.784 2.857 25.574 928 HB ILE 112 HB ILE 112 14.741 1.214 24.073 929 HG12 ILE 112 2HG1 ILE 112 17.089 0.201 25.666 930 HG13 ILE 112 3HG1 ILE 112 15.514 0.465 26.407 931 HG21 ILE 112 1HG2 ILE 112 17.701 1.580 23.657 932 HG22 ILE 112 2HG2 ILE 112 16.758 0.282 22.925 933 HG23 ILE 112 3HG2 ILE 112 16.400 1.963 22.530 934 HD11 ILE 112 3HD1 ILE 112 16.329 -1.546 24.360 935 HD12 ILE 112 1HD1 ILE 112 15.462 -1.775 25.879 936 HD13 ILE 112 2HD1 ILE 112 14.643 -1.046 24.497 937 H LEU 113 H LEU 113 13.588 3.517 24.196 938 HA LEU 113 HA LEU 113 14.325 4.735 21.827 939 HB2 LEU 113 2HB LEU 113 12.046 5.444 23.668 940 HB3 LEU 113 3HB LEU 113 12.198 5.986 21.998 941 HG LEU 113 HG LEU 113 12.168 3.059 22.595 942 HD11 LEU 113 1HD1 LEU 113 9.767 3.000 22.515 943 HD12 LEU 113 2HD1 LEU 113 9.690 4.751 22.322 944 HD13 LEU 113 3HD1 LEU 113 10.270 4.057 23.835 945 HD21 LEU 113 3HD2 LEU 113 10.756 3.368 20.368 946 HD22 LEU 113 1HD2 LEU 113 12.519 3.308 20.361 947 HD23 LEU 113 2HD2 LEU 113 11.690 4.863 20.288 948 H LYS 114 H LYS 114 14.267 6.056 25.086 949 HA LYS 114 HA LYS 114 14.702 8.760 24.370 950 HB2 LYS 114 2HB LYS 114 15.461 7.362 26.941 951 HB3 LYS 114 3HB LYS 114 15.284 9.096 26.712 952 HG2 LYS 114 2HG LYS 114 12.906 7.597 25.951 953 HG3 LYS 114 3HG LYS 114 13.354 7.389 27.646 954 HD2 LYS 114 2HD LYS 114 13.113 10.077 26.303 955 HD3 LYS 114 3HD LYS 114 11.790 9.301 27.177 956 HE2 LYS 114 2HE LYS 114 14.480 9.795 28.426 957 HE3 LYS 114 3HE LYS 114 13.188 10.995 28.462 958 HZ1 LYS 114 3HZ LYS 114 12.122 8.543 29.277 959 HZ2 LYS 114 1HZ LYS 114 12.325 9.951 30.193 960 HZ3 LYS 114 2HZ LYS 114 13.552 8.789 30.146 961 H GLU 115 H GLU 115 16.842 6.040 24.934 962 HA GLU 115 HA GLU 115 19.238 7.620 24.954 963 HB2 GLU 115 2HB GLU 115 19.477 5.625 26.130 964 HB3 GLU 115 3HB GLU 115 18.631 4.687 24.907 965 HG2 GLU 115 2HG GLU 115 21.014 4.175 24.963 966 HG3 GLU 115 3HG GLU 115 20.527 4.861 23.414 967 H ARG 116 H ARG 116 17.772 5.363 22.621 968 HA ARG 116 HA ARG 116 19.679 5.905 20.579 969 HB2 ARG 116 2HB ARG 116 16.905 4.794 20.168 970 HB3 ARG 116 3HB ARG 116 18.329 4.539 19.167 971 HG2 ARG 116 2HG ARG 116 17.878 3.488 21.952 972 HG3 ARG 116 3HG ARG 116 17.866 2.558 20.452 973 HD2 ARG 116 2HD ARG 116 20.228 3.155 20.092 974 HD3 ARG 116 3HD ARG 116 20.226 4.026 21.624 975 HE ARG 116 HE ARG 116 20.419 2.026 22.718 976 HH11 ARG 116 1HH1 ARG 116 19.408 1.436 19.439 977 HH12 ARG 116 2HH1 ARG 116 19.579 -0.284 19.558 978 HH21 ARG 116 1HH2 ARG 116 20.648 -0.237 22.887 979 HH22 ARG 116 2HH2 ARG 116 20.284 -1.234 21.520 980 H ASN 117 H ASN 117 17.062 7.660 21.773 981 HA ASN 117 HA ASN 117 15.961 9.529 21.090 982 HB2 ASN 117 2HB ASN 117 18.453 10.142 20.724 983 HB3 ASN 117 3HB ASN 117 18.095 9.944 19.011 984 HD21 ASN 117 1HD2 ASN 117 18.870 12.292 19.337 985 HD22 ASN 117 2HD2 ASN 117 17.612 13.461 19.523 986 H ILE 118 H ILE 118 15.012 7.195 19.974 987 HA ILE 118 HA ILE 118 14.783 7.182 17.179 988 HB ILE 118 HB ILE 118 12.755 6.163 19.171 989 HG12 ILE 118 2HG1 ILE 118 15.069 5.291 19.528 990 HG13 ILE 118 3HG1 ILE 118 13.910 4.045 19.078 991 HG21 ILE 118 1HG2 ILE 118 12.230 4.563 17.312 992 HG22 ILE 118 2HG2 ILE 118 11.785 6.240 17.001 993 HG23 ILE 118 3HG2 ILE 118 13.235 5.560 16.261 994 HD11 ILE 118 3HD1 ILE 118 15.528 5.344 16.948 995 HD12 ILE 118 1HD1 ILE 118 16.279 4.135 17.988 996 HD13 ILE 118 2HD1 ILE 118 14.862 3.713 17.026 997 H PHE 119 H PHE 119 12.128 7.984 19.415 998 HA PHE 119 HA PHE 119 10.924 9.657 17.369 999 HB2 PHE 119 2HB PHE 119 9.852 9.204 20.149 1000 HB3 PHE 119 3HB PHE 119 8.962 9.642 18.694 1001 HD1 PHE 119 HD2 PHE 119 9.559 7.794 16.702 1002 HD2 PHE 119 HD1 PHE 119 9.353 7.106 20.897 1003 HE1 PHE 119 HE2 PHE 119 9.072 5.419 16.285 1004 HE2 PHE 119 HE1 PHE 119 8.866 4.729 20.487 1005 HZ PHE 119 HZ PHE 119 8.724 3.883 18.178 1006 H SER 120 H SER 120 10.021 11.801 18.020 1007 HA SER 120 HA SER 120 12.125 13.361 19.263 1008 HB2 SER 120 2HB SER 120 11.166 15.234 18.248 1009 HB3 SER 120 3HB SER 120 10.786 13.946 17.105 1010 HG SER 120 HG SER 120 9.098 15.559 18.286 1011 H LYS 121 H LYS 121 11.167 15.365 20.557 1012 HA LYS 121 HA LYS 121 10.294 14.362 23.029 1013 HB2 LYS 121 2HB LYS 121 11.533 16.561 22.486 1014 HB3 LYS 121 3HB LYS 121 9.932 17.228 22.191 1015 HG2 LYS 121 2HG LYS 121 10.290 17.802 24.386 1016 HG3 LYS 121 3HG LYS 121 9.394 16.291 24.554 1017 HD2 LYS 121 2HD LYS 121 11.161 16.038 26.049 1018 HD3 LYS 121 3HD LYS 121 11.719 15.176 24.614 1019 HE2 LYS 121 2HE LYS 121 13.036 17.104 23.943 1020 HE3 LYS 121 3HE LYS 121 12.433 18.020 25.324 1021 HZ1 LYS 121 3HZ LYS 121 14.716 16.599 25.305 1022 HZ2 LYS 121 1HZ LYS 121 13.646 15.495 26.013 1023 HZ3 LYS 121 2HZ LYS 121 13.863 17.024 26.703 1024 H GLN 122 H GLN 122 8.542 16.047 20.448 1025 HA GLN 122 HA GLN 122 6.076 16.293 21.727 1026 HB2 GLN 122 2HB GLN 122 6.970 17.144 19.385 1027 HB3 GLN 122 3HB GLN 122 6.159 15.696 18.805 1028 HG2 GLN 122 2HG GLN 122 4.066 16.460 19.784 1029 HG3 GLN 122 3HG GLN 122 4.873 17.901 20.399 1030 HE21 GLN 122 1HE2 GLN 122 3.435 19.211 19.234 1031 HE22 GLN 122 2HE2 GLN 122 3.592 19.429 17.527 1032 H VAL 123 H VAL 123 7.483 13.595 19.957 1033 HA VAL 123 HA VAL 123 5.105 12.007 19.969 1034 HB VAL 123 HB VAL 123 7.947 11.045 19.635 1035 HG11 VAL 123 1HG1 VAL 123 6.144 9.350 20.049 1036 HG12 VAL 123 2HG1 VAL 123 5.395 9.878 18.541 1037 HG13 VAL 123 3HG1 VAL 123 7.007 9.162 18.523 1038 HG21 VAL 123 3HG2 VAL 123 8.043 12.188 17.731 1039 HG22 VAL 123 1HG2 VAL 123 6.667 11.256 17.139 1040 HG23 VAL 123 2HG2 VAL 123 6.402 12.790 17.969 1041 H VAL 124 H VAL 124 8.084 12.025 21.903 1042 HA VAL 124 HA VAL 124 7.566 9.821 23.513 1043 HB VAL 124 HB VAL 124 8.992 12.371 24.285 1044 HG11 VAL 124 1HG1 VAL 124 10.110 10.999 25.978 1045 HG12 VAL 124 2HG1 VAL 124 8.366 11.059 26.242 1046 HG13 VAL 124 3HG1 VAL 124 9.103 9.624 25.528 1047 HG21 VAL 124 3HG2 VAL 124 10.625 10.041 23.718 1048 HG22 VAL 124 1HG2 VAL 124 9.654 10.528 22.328 1049 HG23 VAL 124 2HG2 VAL 124 10.747 11.684 23.090 1050 H ASN 125 H ASN 125 6.656 13.218 24.008 1051 HA ASN 125 HA ASN 125 5.455 12.925 26.516 1052 HB2 ASN 125 2HB ASN 125 5.284 14.912 24.307 1053 HB3 ASN 125 3HB ASN 125 4.017 14.952 25.530 1054 HD21 ASN 125 1HD2 ASN 125 7.448 15.251 24.950 1055 HD22 ASN 125 2HD2 ASN 125 7.817 16.102 26.408 1056 H ASP 126 H ASP 126 4.339 12.095 23.344 1057 HA ASP 126 HA ASP 126 1.561 11.921 24.017 1058 HB2 ASP 126 2HB ASP 126 2.725 12.156 21.673 1059 HB3 ASP 126 3HB ASP 126 2.768 10.397 21.739 1060 H ILE 127 H ILE 127 4.296 9.749 24.089 1061 HA ILE 127 HA ILE 127 2.763 7.360 24.430 1062 HB ILE 127 HB ILE 127 5.652 7.802 25.180 1063 HG12 ILE 127 2HG1 ILE 127 4.535 6.817 22.548 1064 HG13 ILE 127 3HG1 ILE 127 5.146 8.445 22.819 1065 HG21 ILE 127 1HG2 ILE 127 4.033 5.653 25.678 1066 HG22 ILE 127 2HG2 ILE 127 4.808 5.200 24.161 1067 HG23 ILE 127 3HG2 ILE 127 5.792 5.603 25.568 1068 HD11 ILE 127 3HD1 ILE 127 6.626 5.869 22.641 1069 HD12 ILE 127 1HD1 ILE 127 6.954 7.415 21.859 1070 HD13 ILE 127 2HD1 ILE 127 7.304 7.202 23.575 1071 H GLU 128 H GLU 128 4.497 9.546 26.617 1072 HA GLU 128 HA GLU 128 4.141 8.101 28.983 1073 HB2 GLU 128 2HB GLU 128 4.316 11.093 28.586 1074 HB3 GLU 128 3HB GLU 128 4.477 10.273 30.132 1075 HG2 GLU 128 2HG GLU 128 6.381 8.967 28.957 1076 HG3 GLU 128 3HG GLU 128 6.346 10.302 27.806 1077 H ARG 129 H ARG 129 2.169 10.753 27.650 1078 HA ARG 129 HA ARG 129 0.223 10.841 29.624 1079 HB2 ARG 129 2HB ARG 129 -1.215 11.899 27.970 1080 HB3 ARG 129 3HB ARG 129 0.431 12.500 27.815 1081 HG2 ARG 129 2HG ARG 129 0.808 11.252 25.850 1082 HG3 ARG 129 3HG ARG 129 -0.650 10.289 26.095 1083 HD2 ARG 129 2HD ARG 129 -1.189 11.846 24.410 1084 HD3 ARG 129 3HD ARG 129 -1.948 12.453 25.882 1085 HE ARG 129 HE ARG 129 0.545 13.648 25.718 1086 HH11 ARG 129 1HH1 ARG 129 -2.398 13.564 23.861 1087 HH12 ARG 129 2HH1 ARG 129 -2.193 15.160 23.219 1088 HH21 ARG 129 1HH2 ARG 129 0.827 15.750 24.879 1089 HH22 ARG 129 2HH2 ARG 129 -0.357 16.402 23.798 1090 H SER 130 H SER 130 0.685 8.549 27.048 1091 HA SER 130 HA SER 130 -1.863 7.432 26.878 1092 HB2 SER 130 2HB SER 130 0.689 5.833 26.672 1093 HB3 SER 130 3HB SER 130 -0.837 5.557 25.832 1094 HG SER 130 HG SER 130 -0.443 7.274 24.532 1095 H LEU 131 H LEU 131 0.861 6.505 28.970 1096 HA LEU 131 HA LEU 131 -0.651 4.503 30.349 1097 HB2 LEU 131 2HB LEU 131 1.934 5.821 31.160 1098 HB3 LEU 131 3HB LEU 131 1.277 4.318 31.803 1099 HG LEU 131 HG LEU 131 2.856 3.500 30.370 1100 HD11 LEU 131 1HD1 LEU 131 1.752 2.417 28.678 1101 HD12 LEU 131 2HD1 LEU 131 0.818 3.842 28.224 1102 HD13 LEU 131 3HD1 LEU 131 0.395 2.937 29.677 1103 HD21 LEU 131 3HD2 LEU 131 2.602 4.958 27.944 1104 HD22 LEU 131 1HD2 LEU 131 3.981 4.871 29.039 1105 HD23 LEU 131 2HD2 LEU 131 2.749 6.111 29.271 1106 H ALA 132 H ALA 132 0.202 7.864 30.939 1107 HA ALA 132 HA ALA 132 -0.626 8.029 33.619 1108 HB1 ALA 132 1HB ALA 132 -1.088 10.457 32.077 1109 HB2 ALA 132 2HB ALA 132 -0.009 10.168 33.442 1110 HB3 ALA 132 3HB ALA 132 0.507 9.754 31.807 1111 H ALA 133 H ALA 133 -2.411 7.897 30.664 1112 HA ALA 133 HA ALA 133 -4.848 8.949 31.823 1113 HB1 ALA 133 1HB ALA 133 -4.734 7.525 29.196 1114 HB2 ALA 133 2HB ALA 133 -5.763 8.867 29.700 1115 HB3 ALA 133 3HB ALA 133 -4.054 9.144 29.362 1116 H ALA 134 H ALA 134 -3.395 5.846 31.145 1117 HA ALA 134 HA ALA 134 -5.835 4.380 31.683 1118 HB1 ALA 134 1HB ALA 134 -4.269 2.386 31.493 1119 HB2 ALA 134 2HB ALA 134 -4.473 3.380 30.050 1120 HB3 ALA 134 3HB ALA 134 -3.021 3.548 31.038 1121 H LEU 135 H LEU 135 -3.109 5.548 33.434 1122 HA LEU 135 HA LEU 135 -3.322 3.688 35.615 1123 HB2 LEU 135 2HB LEU 135 -1.798 6.236 35.179 1124 HB3 LEU 135 3HB LEU 135 -1.816 5.426 36.744 1125 HG LEU 135 HG LEU 135 -0.868 4.125 34.196 1126 HD11 LEU 135 1HD1 LEU 135 0.578 5.993 34.656 1127 HD12 LEU 135 2HD1 LEU 135 1.404 4.499 35.097 1128 HD13 LEU 135 3HD1 LEU 135 0.707 5.524 36.351 1129 HD21 LEU 135 3HD2 LEU 135 -0.747 3.371 37.107 1130 HD22 LEU 135 1HD2 LEU 135 0.250 2.608 35.868 1131 HD23 LEU 135 2HD2 LEU 135 -1.507 2.486 35.784 1132 H GLU 136 H GLU 136 -4.799 6.673 34.726 1133 HA GLU 136 HA GLU 136 -5.504 7.788 37.149 1134 HB2 GLU 136 2HB GLU 136 -7.251 8.918 36.013 1135 HB3 GLU 136 3HB GLU 136 -5.967 8.697 34.833 1136 HG2 GLU 136 2HG GLU 136 -7.768 8.094 33.583 1137 HG3 GLU 136 3HG GLU 136 -7.317 6.525 34.246 1138 H HIS 137 H HIS 137 -7.251 7.573 38.554 1139 HA HIS 137 HA HIS 137 -9.101 5.362 38.191 1140 HB2 HIS 137 2HB HIS 137 -8.576 4.351 40.367 1141 HB3 HIS 137 3HB HIS 137 -7.185 4.296 39.288 1142 HD1 HIS 137 HD1 HIS 137 -5.221 5.980 39.827 1143 HD2 HIS 137 HD2 HIS 137 -8.192 5.728 42.721 1144 HE1 HIS 137 HE1 HIS 137 -4.244 7.039 41.888 1145 H HIS 138 H HIS 138 -10.831 5.361 39.804 1146 HA HIS 138 HA HIS 138 -11.114 7.828 41.342 1147 HB2 HIS 138 2HB HIS 138 -12.131 8.066 38.994 1148 HB3 HIS 138 3HB HIS 138 -13.352 6.921 39.541 1149 HD1 HIS 138 HD1 HIS 138 -15.364 8.379 39.769 1150 HD2 HIS 138 HD2 HIS 138 -12.017 10.009 41.614 1151 HE1 HIS 138 HE1 HIS 138 -16.197 10.407 41.002 Start of MODEL 15 1 H ALA 2 H ALA 2 4.021 -2.995 -4.931 2 HA ALA 2 HA ALA 2 6.914 -3.054 -5.369 3 HB1 ALA 2 1HB ALA 2 6.453 -0.860 -5.050 4 HB2 ALA 2 2HB ALA 2 5.037 -1.187 -4.050 5 HB3 ALA 2 3HB ALA 2 6.654 -1.315 -3.358 6 H PHE 3 H PHE 3 4.463 -3.930 -3.011 7 HA PHE 3 HA PHE 3 6.365 -5.680 -1.693 8 HB2 PHE 3 2HB PHE 3 6.070 -4.801 0.510 9 HB3 PHE 3 3HB PHE 3 6.510 -3.447 -0.525 10 HD1 PHE 3 HD1 PHE 3 4.818 -1.789 -1.182 11 HD2 PHE 3 HD2 PHE 3 3.948 -4.909 1.579 12 HE1 PHE 3 HE1 PHE 3 2.812 -0.570 -0.442 13 HE2 PHE 3 HE2 PHE 3 1.941 -3.696 2.323 14 HZ PHE 3 HZ PHE 3 1.371 -1.524 1.312 15 H SER 4 H SER 4 5.121 -6.788 0.250 16 HA SER 4 HA SER 4 2.379 -7.382 -0.646 17 HB2 SER 4 2HB SER 4 4.329 -9.128 -1.096 18 HB3 SER 4 3HB SER 4 4.022 -9.548 0.589 19 HG SER 4 HG SER 4 2.075 -9.475 -1.477 20 H SER 5 H SER 5 1.113 -6.558 0.892 21 HA SER 5 HA SER 5 1.835 -6.124 3.563 22 HB2 SER 5 2HB SER 5 -1.023 -6.564 2.749 23 HB3 SER 5 3HB SER 5 -0.364 -5.407 3.906 24 HG SER 5 HG SER 5 -0.653 -4.131 2.223 25 H GLU 6 H GLU 6 0.602 -8.933 1.946 26 HA GLU 6 HA GLU 6 -0.427 -10.322 4.169 27 HB2 GLU 6 2HB GLU 6 -0.948 -11.034 1.917 28 HB3 GLU 6 3HB GLU 6 0.750 -11.344 1.581 29 HG2 GLU 6 2HG GLU 6 0.795 -13.251 2.906 30 HG3 GLU 6 3HG GLU 6 -0.664 -12.792 3.782 31 H GLN 7 H GLN 7 2.815 -9.937 2.915 32 HA GLN 7 HA GLN 7 4.025 -12.031 4.391 33 HB2 GLN 7 2HB GLN 7 4.909 -9.788 2.724 34 HB3 GLN 7 3HB GLN 7 6.029 -10.188 4.019 35 HG2 GLN 7 2HG GLN 7 4.942 -12.294 2.189 36 HG3 GLN 7 3HG GLN 7 6.344 -11.319 1.749 37 HE21 GLN 7 1HE2 GLN 7 6.238 -14.158 2.162 38 HE22 GLN 7 2HE2 GLN 7 7.321 -14.520 3.458 39 H PHE 8 H PHE 8 3.795 -8.529 4.972 40 HA PHE 8 HA PHE 8 5.197 -8.455 7.381 41 HB2 PHE 8 2HB PHE 8 4.516 -6.458 6.060 42 HB3 PHE 8 3HB PHE 8 2.857 -6.707 6.595 43 HD1 PHE 8 HD2 PHE 8 6.253 -6.486 8.136 44 HD2 PHE 8 HD1 PHE 8 2.150 -5.365 8.304 45 HE1 PHE 8 HE2 PHE 8 6.706 -5.142 10.147 46 HE2 PHE 8 HE1 PHE 8 2.597 -4.019 10.315 47 HZ PHE 8 HZ PHE 8 4.877 -3.907 11.239 48 H THR 9 H THR 9 1.756 -9.002 6.760 49 HA THR 9 HA THR 9 1.025 -9.158 9.511 50 HB THR 9 HB THR 9 -0.580 -10.513 7.379 51 HG1 THR 9 HG1 THR 9 -0.234 -8.659 6.301 52 HG21 THR 9 3HG2 THR 9 -1.339 -8.729 9.695 53 HG22 THR 9 1HG2 THR 9 -1.348 -10.492 9.726 54 HG23 THR 9 2HG2 THR 9 -2.447 -9.622 8.655 55 H THR 10 H THR 10 1.417 -11.642 6.983 56 HA THR 10 HA THR 10 0.951 -13.875 8.578 57 HB THR 10 HB THR 10 2.783 -13.646 6.182 58 HG1 THR 10 HG1 THR 10 0.457 -13.128 5.958 59 HG21 THR 10 3HG2 THR 10 3.412 -15.708 6.879 60 HG22 THR 10 1HG2 THR 10 1.885 -16.188 6.140 61 HG23 THR 10 2HG2 THR 10 1.978 -15.924 7.882 62 H LYS 11 H LYS 11 3.840 -11.939 8.166 63 HA LYS 11 HA LYS 11 5.584 -13.776 9.506 64 HB2 LYS 11 2HB LYS 11 5.823 -10.921 8.603 65 HB3 LYS 11 3HB LYS 11 7.062 -11.645 9.620 66 HG2 LYS 11 2HG LYS 11 6.176 -12.837 7.006 67 HG3 LYS 11 3HG LYS 11 7.511 -11.691 7.152 68 HD2 LYS 11 2HD LYS 11 8.412 -13.335 8.936 69 HD3 LYS 11 3HD LYS 11 7.295 -14.490 8.204 70 HE2 LYS 11 2HE LYS 11 9.252 -12.927 6.549 71 HE3 LYS 11 3HE LYS 11 9.714 -14.430 7.346 72 HZ1 LYS 11 3HZ LYS 11 8.981 -14.752 5.039 73 HZ2 LYS 11 1HZ LYS 11 7.450 -14.158 5.445 74 HZ3 LYS 11 2HZ LYS 11 8.011 -15.593 6.141 75 H LEU 12 H LEU 12 4.051 -10.696 10.413 76 HA LEU 12 HA LEU 12 5.028 -10.445 12.983 77 HB2 LEU 12 2HB LEU 12 2.474 -9.622 11.673 78 HB3 LEU 12 3HB LEU 12 2.682 -9.378 13.406 79 HG LEU 12 HG LEU 12 4.623 -8.287 11.384 80 HD11 LEU 12 1HD1 LEU 12 1.942 -7.318 12.144 81 HD12 LEU 12 2HD1 LEU 12 2.876 -7.047 10.673 82 HD13 LEU 12 3HD1 LEU 12 3.235 -6.118 12.128 83 HD21 LEU 12 3HD2 LEU 12 4.523 -8.395 14.222 84 HD22 LEU 12 1HD2 LEU 12 4.328 -6.715 13.722 85 HD23 LEU 12 2HD2 LEU 12 5.734 -7.636 13.188 86 H ASN 13 H ASN 13 2.417 -12.469 11.791 87 HA ASN 13 HA ASN 13 1.557 -13.277 14.414 88 HB2 ASN 13 2HB ASN 13 0.840 -14.029 11.608 89 HB3 ASN 13 3HB ASN 13 0.368 -15.098 12.925 90 HD21 ASN 13 1HD2 ASN 13 -0.828 -12.866 11.009 91 HD22 ASN 13 2HD2 ASN 13 -1.957 -12.085 12.057 92 H THR 14 H THR 14 3.748 -14.470 11.968 93 HA THR 14 HA THR 14 4.193 -16.944 13.465 94 HB THR 14 HB THR 14 5.632 -17.598 11.548 95 HG1 THR 14 HG1 THR 14 5.917 -16.248 9.864 96 HG21 THR 14 3HG2 THR 14 3.179 -18.099 11.638 97 HG22 THR 14 1HG2 THR 14 3.847 -18.027 10.008 98 HG23 THR 14 2HG2 THR 14 2.908 -16.672 10.638 99 H LEU 15 H LEU 15 5.097 -14.149 14.245 100 HA LEU 15 HA LEU 15 7.965 -14.223 14.061 101 HB2 LEU 15 2HB LEU 15 5.920 -12.412 15.155 102 HB3 LEU 15 3HB LEU 15 7.462 -12.409 16.007 103 HG LEU 15 HG LEU 15 7.099 -11.851 13.064 104 HD11 LEU 15 1HD1 LEU 15 6.207 -10.161 14.791 105 HD12 LEU 15 2HD1 LEU 15 7.280 -9.582 13.517 106 HD13 LEU 15 3HD1 LEU 15 7.908 -9.854 15.142 107 HD21 LEU 15 3HD2 LEU 15 9.294 -12.105 12.882 108 HD22 LEU 15 1HD2 LEU 15 9.379 -12.599 14.573 109 HD23 LEU 15 2HD2 LEU 15 9.548 -10.897 14.143 110 H GLU 16 H GLU 16 9.406 -14.350 15.882 111 HA GLU 16 HA GLU 16 8.332 -15.680 18.260 112 HB2 GLU 16 2HB GLU 16 10.319 -17.267 18.148 113 HB3 GLU 16 3HB GLU 16 9.014 -17.559 17.007 114 HG2 GLU 16 2HG GLU 16 10.280 -16.492 15.240 115 HG3 GLU 16 3HG GLU 16 11.573 -16.108 16.374 116 H ASP 17 H ASP 17 10.079 -15.894 19.975 117 HA ASP 17 HA ASP 17 11.409 -13.321 20.200 118 HB2 ASP 17 2HB ASP 17 10.107 -14.179 22.102 119 HB3 ASP 17 3HB ASP 17 11.164 -15.585 22.193 120 H SER 18 H SER 18 13.081 -13.594 18.666 121 HA SER 18 HA SER 18 15.400 -14.971 19.745 122 HB2 SER 18 2HB SER 18 14.881 -16.775 18.421 123 HB3 SER 18 3HB SER 18 13.991 -15.798 17.253 124 HG SER 18 HG SER 18 15.843 -16.351 16.232 125 H GLN 19 H GLN 19 17.275 -13.936 19.297 126 HA GLN 19 HA GLN 19 17.297 -11.304 18.460 127 HB2 GLN 19 2HB GLN 19 19.113 -12.350 19.746 128 HB3 GLN 19 3HB GLN 19 19.578 -13.284 18.330 129 HG2 GLN 19 2HG GLN 19 21.053 -11.393 18.627 130 HG3 GLN 19 3HG GLN 19 20.117 -11.221 17.143 131 HE21 GLN 19 1HE2 GLN 19 18.852 -9.477 16.878 132 HE22 GLN 19 2HE2 GLN 19 18.640 -8.230 18.054 133 H GLU 20 H GLU 20 17.810 -14.238 16.574 134 HA GLU 20 HA GLU 20 18.515 -12.844 14.173 135 HB2 GLU 20 2HB GLU 20 17.613 -15.703 14.569 136 HB3 GLU 20 3HB GLU 20 18.318 -15.049 13.097 137 HG2 GLU 20 2HG GLU 20 20.398 -14.599 14.275 138 HG3 GLU 20 3HG GLU 20 19.694 -15.218 15.768 139 H SER 21 H SER 21 15.564 -14.107 15.577 140 HA SER 21 HA SER 21 13.933 -13.995 13.289 141 HB2 SER 21 2HB SER 21 13.284 -15.181 15.352 142 HB3 SER 21 3HB SER 21 13.138 -13.636 16.190 143 HG SER 21 HG SER 21 11.413 -14.858 14.441 144 H ILE 22 H ILE 22 14.424 -11.626 15.899 145 HA ILE 22 HA ILE 22 12.709 -9.649 14.918 146 HB ILE 22 HB ILE 22 15.250 -9.241 16.499 147 HG12 ILE 22 2HG1 ILE 22 13.678 -10.826 17.565 148 HG13 ILE 22 3HG1 ILE 22 13.829 -9.328 18.477 149 HG21 ILE 22 1HG2 ILE 22 14.199 -7.162 17.243 150 HG22 ILE 22 2HG2 ILE 22 14.419 -7.183 15.495 151 HG23 ILE 22 3HG2 ILE 22 12.824 -7.479 16.186 152 HD11 ILE 22 3HD1 ILE 22 11.515 -10.181 18.313 153 HD12 ILE 22 1HD1 ILE 22 11.717 -8.554 17.663 154 HD13 ILE 22 2HD1 ILE 22 11.586 -9.932 16.569 155 H SER 23 H SER 23 16.119 -10.286 14.248 156 HA SER 23 HA SER 23 16.494 -7.956 12.641 157 HB2 SER 23 2HB SER 23 18.266 -9.443 13.853 158 HB3 SER 23 3HB SER 23 18.196 -10.417 12.385 159 HG SER 23 HG SER 23 18.818 -7.652 12.557 160 H SER 24 H SER 24 15.480 -11.246 12.042 161 HA SER 24 HA SER 24 15.850 -11.361 9.273 162 HB2 SER 24 2HB SER 24 13.881 -12.716 11.112 163 HB3 SER 24 3HB SER 24 13.912 -13.038 9.379 164 HG SER 24 HG SER 24 16.137 -13.627 9.649 165 H ALA 25 H ALA 25 12.983 -10.379 11.138 166 HA ALA 25 HA ALA 25 11.489 -9.635 8.819 167 HB1 ALA 25 1HB ALA 25 11.065 -9.076 11.748 168 HB2 ALA 25 2HB ALA 25 9.929 -8.613 10.480 169 HB3 ALA 25 3HB ALA 25 10.286 -10.317 10.766 170 H SER 26 H SER 26 13.432 -7.896 11.199 171 HA SER 26 HA SER 26 12.785 -5.283 10.511 172 HB2 SER 26 2HB SER 26 14.169 -5.914 12.469 173 HB3 SER 26 3HB SER 26 15.498 -6.312 11.381 174 HG SER 26 HG SER 26 15.915 -4.262 11.925 175 H LYS 27 H LYS 27 15.282 -7.406 9.151 176 HA LYS 27 HA LYS 27 16.462 -5.612 7.389 177 HB2 LYS 27 2HB LYS 27 16.064 -8.596 7.223 178 HB3 LYS 27 3HB LYS 27 16.979 -7.701 6.017 179 HG2 LYS 27 2HG LYS 27 18.710 -7.265 7.449 180 HG3 LYS 27 3HG LYS 27 17.692 -7.370 8.887 181 HD2 LYS 27 2HD LYS 27 17.556 -9.787 8.635 182 HD3 LYS 27 3HD LYS 27 18.516 -9.703 7.156 183 HE2 LYS 27 2HE LYS 27 19.523 -8.684 9.800 184 HE3 LYS 27 3HE LYS 27 19.737 -10.358 9.290 185 HZ1 LYS 27 3HZ LYS 27 21.438 -9.768 8.022 186 HZ2 LYS 27 1HZ LYS 27 21.345 -8.205 8.662 187 HZ3 LYS 27 2HZ LYS 27 20.528 -8.582 7.230 188 H TRP 28 H TRP 28 13.645 -7.710 6.908 189 HA TRP 28 HA TRP 28 13.206 -7.059 4.203 190 HB2 TRP 28 2HB TRP 28 12.191 -9.010 5.349 191 HB3 TRP 28 3HB TRP 28 11.166 -7.911 6.269 192 HD1 TRP 28 HD1 TRP 28 11.875 -8.485 2.482 193 HE1 TRP 28 HE1 TRP 28 9.621 -8.391 1.242 194 HE3 TRP 28 HE3 TRP 28 8.800 -7.547 6.458 195 HZ2 TRP 28 HZ2 TRP 28 6.900 -7.973 1.867 196 HZ3 TRP 28 HZ3 TRP 28 6.385 -7.313 6.051 197 HH2 TRP 28 HH2 TRP 28 5.457 -7.522 3.803 198 H LEU 29 H LEU 29 11.785 -5.741 7.185 199 HA LEU 29 HA LEU 29 10.069 -3.890 5.981 200 HB2 LEU 29 2HB LEU 29 11.355 -4.124 8.660 201 HB3 LEU 29 3HB LEU 29 10.524 -2.628 8.241 202 HG LEU 29 HG LEU 29 8.993 -5.112 7.800 203 HD11 LEU 29 1HD1 LEU 29 10.387 -5.177 10.070 204 HD12 LEU 29 2HD1 LEU 29 8.736 -5.782 9.948 205 HD13 LEU 29 3HD1 LEU 29 9.039 -4.174 10.606 206 HD21 LEU 29 3HD2 LEU 29 7.257 -3.712 7.974 207 HD22 LEU 29 1HD2 LEU 29 8.458 -2.428 7.845 208 HD23 LEU 29 2HD2 LEU 29 7.896 -2.951 9.432 209 H LEU 30 H LEU 30 13.491 -3.744 6.692 210 HA LEU 30 HA LEU 30 13.921 -0.997 6.466 211 HB2 LEU 30 2HB LEU 30 15.513 -3.412 6.429 212 HB3 LEU 30 3HB LEU 30 16.149 -2.205 5.314 213 HG LEU 30 HG LEU 30 17.279 -1.996 7.419 214 HD11 LEU 30 1HD1 LEU 30 16.992 0.302 7.812 215 HD12 LEU 30 2HD1 LEU 30 15.292 0.255 7.345 216 HD13 LEU 30 3HD1 LEU 30 16.548 0.061 6.122 217 HD21 LEU 30 3HD2 LEU 30 15.962 -1.357 9.463 218 HD22 LEU 30 1HD2 LEU 30 15.767 -3.028 8.931 219 HD23 LEU 30 2HD2 LEU 30 14.508 -1.841 8.587 220 H LEU 31 H LEU 31 13.287 -3.398 4.042 221 HA LEU 31 HA LEU 31 14.038 -1.592 1.877 222 HB2 LEU 31 2HB LEU 31 12.793 -4.300 1.548 223 HB3 LEU 31 3HB LEU 31 13.818 -3.414 0.420 224 HG LEU 31 HG LEU 31 14.694 -4.768 2.970 225 HD11 LEU 31 1HD1 LEU 31 16.137 -5.970 1.162 226 HD12 LEU 31 2HD1 LEU 31 14.857 -5.445 0.069 227 HD13 LEU 31 3HD1 LEU 31 14.471 -6.476 1.446 228 HD21 LEU 31 3HD2 LEU 31 16.189 -3.041 1.011 229 HD22 LEU 31 1HD2 LEU 31 16.988 -4.161 2.115 230 HD23 LEU 31 2HD2 LEU 31 16.030 -2.826 2.755 231 H GLN 32 H GLN 32 11.613 -1.426 3.798 232 HA GLN 32 HA GLN 32 9.617 -0.991 1.676 233 HB2 GLN 32 2HB GLN 32 8.938 -1.730 4.519 234 HB3 GLN 32 3HB GLN 32 7.862 -1.686 3.129 235 HG2 GLN 32 2HG GLN 32 9.978 -3.693 3.799 236 HG3 GLN 32 3HG GLN 32 8.260 -3.950 3.499 237 HE21 GLN 32 1HE2 GLN 32 7.834 -2.644 1.181 238 HE22 GLN 32 2HE2 GLN 32 8.760 -3.351 -0.094 239 H TYR 33 H TYR 33 11.605 0.833 2.866 240 HA TYR 33 HA TYR 33 10.527 2.577 4.740 241 HB2 TYR 33 2HB TYR 33 12.182 4.133 4.074 242 HB3 TYR 33 3HB TYR 33 12.890 2.548 3.784 243 HD1 TYR 33 HD2 TYR 33 12.509 1.612 1.336 244 HD2 TYR 33 HD1 TYR 33 12.338 5.726 2.409 245 HE1 TYR 33 HE2 TYR 33 12.955 2.235 -1.002 246 HE2 TYR 33 HE1 TYR 33 12.783 6.360 0.074 247 HH TYR 33 HH TYR 33 14.076 4.893 -2.016 248 H ARG 34 H ARG 34 9.775 2.168 1.385 249 HA ARG 34 HA ARG 34 8.581 4.692 0.912 250 HB2 ARG 34 2HB ARG 34 8.377 2.004 -0.415 251 HB3 ARG 34 3HB ARG 34 7.351 3.337 -0.925 252 HG2 ARG 34 2HG ARG 34 9.714 4.577 -0.997 253 HG3 ARG 34 3HG ARG 34 10.250 2.922 -1.295 254 HD2 ARG 34 2HD ARG 34 9.215 2.805 -3.316 255 HD3 ARG 34 3HD ARG 34 7.898 3.869 -2.823 256 HE ARG 34 HE ARG 34 10.068 5.507 -2.927 257 HH11 ARG 34 1HH1 ARG 34 8.554 3.315 -5.169 258 HH12 ARG 34 2HH1 ARG 34 9.021 4.220 -6.571 259 HH21 ARG 34 1HH2 ARG 34 10.689 6.707 -4.765 260 HH22 ARG 34 2HH2 ARG 34 10.236 6.149 -6.340 261 H ASP 35 H ASP 35 7.452 1.740 2.380 262 HA ASP 35 HA ASP 35 4.700 2.725 2.457 263 HB2 ASP 35 2HB ASP 35 5.563 0.138 3.697 264 HB3 ASP 35 3HB ASP 35 4.026 0.557 2.945 265 H ALA 36 H ALA 36 6.402 4.300 3.914 266 HA ALA 36 HA ALA 36 6.806 3.639 6.587 267 HB1 ALA 36 1HB ALA 36 6.947 5.998 4.967 268 HB2 ALA 36 2HB ALA 36 6.205 6.382 6.521 269 HB3 ALA 36 3HB ALA 36 7.795 5.621 6.468 270 HA PRO 37 HA PRO 37 2.549 5.648 7.653 271 HB2 PRO 37 2HB PRO 37 0.913 6.300 5.587 272 HB3 PRO 37 3HB PRO 37 2.111 7.416 6.252 273 HG2 PRO 37 2HG PRO 37 2.278 5.691 3.811 274 HG3 PRO 37 3HG PRO 37 2.784 7.377 4.026 275 HD2 PRO 37 2HD PRO 37 4.534 5.312 4.083 276 HD3 PRO 37 3HD PRO 37 4.763 6.784 5.049 277 H LYS 38 H LYS 38 2.629 3.609 4.772 278 HA LYS 38 HA LYS 38 0.145 2.338 5.133 279 HB2 LYS 38 2HB LYS 38 2.606 1.816 3.567 280 HB3 LYS 38 3HB LYS 38 1.562 0.431 3.860 281 HG2 LYS 38 2HG LYS 38 0.833 1.274 1.820 282 HG3 LYS 38 3HG LYS 38 -0.333 1.908 2.984 283 HD2 LYS 38 2HD LYS 38 0.553 4.061 2.881 284 HD3 LYS 38 3HD LYS 38 2.087 3.500 2.212 285 HE2 LYS 38 2HE LYS 38 1.130 3.113 0.089 286 HE3 LYS 38 3HE LYS 38 -0.511 3.247 0.720 287 HZ1 LYS 38 3HZ LYS 38 -0.422 5.502 0.733 288 HZ2 LYS 38 1HZ LYS 38 0.650 5.221 -0.546 289 HZ3 LYS 38 2HZ LYS 38 1.248 5.566 0.998 290 H VAL 39 H VAL 39 3.423 1.203 5.966 291 HA VAL 39 HA VAL 39 2.588 -1.121 7.314 292 HB VAL 39 HB VAL 39 5.121 0.480 7.703 293 HG11 VAL 39 1HG1 VAL 39 5.925 -1.906 8.384 294 HG12 VAL 39 2HG1 VAL 39 5.091 -0.888 9.560 295 HG13 VAL 39 3HG1 VAL 39 4.216 -2.175 8.729 296 HG21 VAL 39 3HG2 VAL 39 4.762 -2.017 6.066 297 HG22 VAL 39 1HG2 VAL 39 4.593 -0.400 5.383 298 HG23 VAL 39 2HG2 VAL 39 6.131 -0.906 6.082 299 H ALA 40 H ALA 40 3.111 2.183 8.405 300 HA ALA 40 HA ALA 40 2.979 1.700 11.178 301 HB1 ALA 40 1HB ALA 40 2.910 4.028 9.412 302 HB2 ALA 40 2HB ALA 40 1.998 4.235 10.908 303 HB3 ALA 40 3HB ALA 40 3.707 3.806 10.970 304 H GLU 41 H GLU 41 0.480 2.495 8.793 305 HA GLU 41 HA GLU 41 -1.647 2.683 10.656 306 HB2 GLU 41 2HB GLU 41 -1.611 3.590 8.290 307 HB3 GLU 41 3HB GLU 41 -1.894 1.944 7.741 308 HG2 GLU 41 2HG GLU 41 -3.989 1.880 8.984 309 HG3 GLU 41 3HG GLU 41 -3.705 3.524 9.554 310 H MET 42 H MET 42 -0.663 0.075 8.438 311 HA MET 42 HA MET 42 -2.606 -1.782 9.225 312 HB2 MET 42 2HB MET 42 -0.870 -1.792 7.249 313 HB3 MET 42 3HB MET 42 0.121 -2.687 8.393 314 HG2 MET 42 2HG MET 42 -2.197 -4.037 8.612 315 HG3 MET 42 3HG MET 42 -2.299 -3.500 6.937 316 HE1 MET 42 3HE MET 42 -1.295 -6.386 9.061 317 HE2 MET 42 1HE MET 42 0.404 -6.699 8.702 318 HE3 MET 42 2HE MET 42 -0.056 -5.248 9.591 319 H TRP 43 H TRP 43 0.772 -1.433 10.300 320 HA TRP 43 HA TRP 43 0.783 -3.514 12.156 321 HB2 TRP 43 2HB TRP 43 2.820 -2.359 11.412 322 HB3 TRP 43 3HB TRP 43 2.310 -0.903 12.262 323 HD1 TRP 43 HD1 TRP 43 3.811 -4.355 12.867 324 HE1 TRP 43 HE1 TRP 43 4.686 -4.469 15.285 325 HE3 TRP 43 HE3 TRP 43 1.916 0.056 14.624 326 HZ2 TRP 43 HZ2 TRP 43 4.584 -2.897 17.627 327 HZ3 TRP 43 HZ3 TRP 43 2.350 0.677 16.965 328 HH2 TRP 43 HH2 TRP 43 3.656 -0.771 18.434 329 H LYS 44 H LYS 44 0.079 -0.062 12.657 330 HA LYS 44 HA LYS 44 -0.381 -0.106 15.386 331 HB2 LYS 44 2HB LYS 44 -0.276 1.969 14.121 332 HB3 LYS 44 3HB LYS 44 -1.753 1.553 13.263 333 HG2 LYS 44 2HG LYS 44 -2.522 1.417 15.894 334 HG3 LYS 44 3HG LYS 44 -1.388 2.770 15.879 335 HD2 LYS 44 2HD LYS 44 -3.339 2.704 13.668 336 HD3 LYS 44 3HD LYS 44 -4.010 2.994 15.274 337 HE2 LYS 44 2HE LYS 44 -1.938 4.678 15.369 338 HE3 LYS 44 3HE LYS 44 -2.208 4.672 13.627 339 HZ1 LYS 44 3HZ LYS 44 -3.936 6.006 13.897 340 HZ2 LYS 44 1HZ LYS 44 -3.607 6.097 15.554 341 HZ3 LYS 44 2HZ LYS 44 -4.675 4.924 14.968 342 H GLU 45 H GLU 45 -2.848 -0.379 12.819 343 HA GLU 45 HA GLU 45 -5.021 -0.912 14.467 344 HB2 GLU 45 2HB GLU 45 -4.378 -1.412 11.608 345 HB3 GLU 45 3HB GLU 45 -5.742 -2.288 12.288 346 HG2 GLU 45 2HG GLU 45 -6.639 -0.072 13.064 347 HG3 GLU 45 3HG GLU 45 -5.377 0.687 12.095 348 H TYR 46 H TYR 46 -2.557 -3.070 13.197 349 HA TYR 46 HA TYR 46 -3.810 -5.504 13.896 350 HB2 TYR 46 2HB TYR 46 -2.020 -5.573 12.319 351 HB3 TYR 46 3HB TYR 46 -0.919 -4.770 13.433 352 HD1 TYR 46 HD1 TYR 46 0.101 -6.000 15.278 353 HD2 TYR 46 HD2 TYR 46 -2.496 -7.937 12.521 354 HE1 TYR 46 HE1 TYR 46 0.896 -8.187 16.075 355 HE2 TYR 46 HE2 TYR 46 -1.709 -10.129 13.311 356 HH TYR 46 HH TYR 46 0.517 -10.979 14.464 357 H MET 47 H MET 47 -1.633 -3.339 15.632 358 HA MET 47 HA MET 47 -1.334 -5.079 17.888 359 HB2 MET 47 2HB MET 47 -0.736 -2.136 17.551 360 HB3 MET 47 3HB MET 47 -0.295 -3.088 18.962 361 HG2 MET 47 2HG MET 47 0.601 -3.941 16.248 362 HG3 MET 47 3HG MET 47 1.447 -2.650 17.097 363 HE1 MET 47 3HE MET 47 2.102 -3.930 20.368 364 HE2 MET 47 1HE MET 47 3.591 -3.919 19.423 365 HE3 MET 47 2HE MET 47 2.367 -2.680 19.152 366 H LEU 48 H LEU 48 -3.063 -2.001 17.384 367 HA LEU 48 HA LEU 48 -4.285 -1.783 19.846 368 HB2 LEU 48 2HB LEU 48 -5.435 -1.052 17.157 369 HB3 LEU 48 3HB LEU 48 -6.019 -0.463 18.712 370 HG LEU 48 HG LEU 48 -3.286 0.095 17.560 371 HD11 LEU 48 1HD1 LEU 48 -4.107 2.344 17.167 372 HD12 LEU 48 2HD1 LEU 48 -5.701 1.889 17.768 373 HD13 LEU 48 3HD1 LEU 48 -5.081 1.171 16.281 374 HD21 LEU 48 3HD2 LEU 48 -2.986 1.592 19.382 375 HD22 LEU 48 1HD2 LEU 48 -3.500 0.048 20.062 376 HD23 LEU 48 2HD2 LEU 48 -4.653 1.376 19.918 377 H ARG 49 H ARG 49 -5.037 -3.922 17.210 378 HA ARG 49 HA ARG 49 -7.665 -4.613 17.804 379 HB2 ARG 49 2HB ARG 49 -5.391 -5.973 16.445 380 HB3 ARG 49 3HB ARG 49 -6.780 -6.955 16.890 381 HG2 ARG 49 2HG ARG 49 -8.204 -5.822 15.459 382 HG3 ARG 49 3HG ARG 49 -7.156 -4.404 15.380 383 HD2 ARG 49 2HD ARG 49 -5.803 -5.323 13.798 384 HD3 ARG 49 3HD ARG 49 -6.049 -6.966 14.388 385 HE ARG 49 HE ARG 49 -7.511 -5.655 12.326 386 HH11 ARG 49 1HH1 ARG 49 -7.793 -7.982 14.900 387 HH12 ARG 49 2HH1 ARG 49 -9.112 -8.832 14.163 388 HH21 ARG 49 1HH2 ARG 49 -9.246 -6.765 11.346 389 HH22 ARG 49 2HH2 ARG 49 -9.936 -8.139 12.141 390 HA PRO 50 HA PRO 50 -7.144 -6.480 21.808 391 HB2 PRO 50 2HB PRO 50 -9.724 -7.278 22.091 392 HB3 PRO 50 3HB PRO 50 -9.207 -5.601 22.309 393 HG2 PRO 50 2HG PRO 50 -10.482 -6.897 19.930 394 HG3 PRO 50 3HG PRO 50 -10.823 -5.318 20.660 395 HD2 PRO 50 2HD PRO 50 -9.303 -5.598 18.437 396 HD3 PRO 50 3HD PRO 50 -9.023 -4.313 19.629 397 H SER 51 H SER 51 -8.680 -8.091 19.068 398 HA SER 51 HA SER 51 -8.825 -10.682 20.081 399 HB2 SER 51 2HB SER 51 -8.407 -9.688 17.257 400 HB3 SER 51 3HB SER 51 -8.682 -11.385 17.652 401 HG SER 51 HG SER 51 -10.723 -10.960 17.834 402 H VAL 52 H VAL 52 -6.109 -8.871 18.867 403 HA VAL 52 HA VAL 52 -4.342 -11.036 18.424 404 HB VAL 52 HB VAL 52 -3.627 -8.199 19.176 405 HG11 VAL 52 1HG1 VAL 52 -2.047 -10.349 17.769 406 HG12 VAL 52 2HG1 VAL 52 -1.522 -8.681 18.007 407 HG13 VAL 52 3HG1 VAL 52 -1.761 -9.739 19.398 408 HG21 VAL 52 3HG2 VAL 52 -4.846 -9.281 16.799 409 HG22 VAL 52 1HG2 VAL 52 -4.506 -7.603 17.222 410 HG23 VAL 52 2HG2 VAL 52 -3.269 -8.581 16.433 411 H ASN 53 H ASN 53 -3.238 -12.270 19.800 412 HA ASN 53 HA ASN 53 -3.652 -12.140 22.583 413 HB2 ASN 53 2HB ASN 53 -1.680 -13.669 20.887 414 HB3 ASN 53 3HB ASN 53 -1.742 -13.837 22.639 415 HD21 ASN 53 1HD2 ASN 53 -2.337 -15.690 20.365 416 HD22 ASN 53 2HD2 ASN 53 -3.913 -16.309 20.709 417 H THR 54 H THR 54 -2.001 -11.887 24.250 418 HA THR 54 HA THR 54 -0.700 -9.424 24.125 419 HB THR 54 HB THR 54 0.451 -11.407 25.996 420 HG1 THR 54 HG1 THR 54 -1.392 -11.891 26.980 421 HG21 THR 54 3HG2 THR 54 0.273 -9.632 27.553 422 HG22 THR 54 1HG2 THR 54 -0.912 -8.782 26.563 423 HG23 THR 54 2HG2 THR 54 0.767 -8.887 26.033 424 H ARG 55 H ARG 55 0.626 -12.705 23.797 425 HA ARG 55 HA ARG 55 3.312 -12.112 23.594 426 HB2 ARG 55 2HB ARG 55 1.570 -14.285 22.561 427 HB3 ARG 55 3HB ARG 55 3.171 -14.141 21.848 428 HG2 ARG 55 2HG ARG 55 3.877 -14.024 24.405 429 HG3 ARG 55 3HG ARG 55 2.374 -14.931 24.586 430 HD2 ARG 55 2HD ARG 55 3.210 -16.517 22.850 431 HD3 ARG 55 3HD ARG 55 4.750 -15.659 22.882 432 HE ARG 55 HE ARG 55 4.346 -16.315 25.477 433 HH11 ARG 55 1HH1 ARG 55 4.327 -18.135 22.509 434 HH12 ARG 55 2HH1 ARG 55 4.868 -19.603 23.253 435 HH21 ARG 55 1HH2 ARG 55 5.058 -18.242 26.468 436 HH22 ARG 55 2HH2 ARG 55 5.283 -19.663 25.505 437 H ARG 56 H ARG 56 0.932 -12.264 20.950 438 HA ARG 56 HA ARG 56 2.606 -11.653 18.833 439 HB2 ARG 56 2HB ARG 56 -0.306 -11.233 19.356 440 HB3 ARG 56 3HB ARG 56 0.413 -10.496 17.931 441 HG2 ARG 56 2HG ARG 56 1.100 -12.643 17.099 442 HG3 ARG 56 3HG ARG 56 0.557 -13.430 18.582 443 HD2 ARG 56 2HD ARG 56 -1.750 -12.522 18.048 444 HD3 ARG 56 3HD ARG 56 -1.112 -12.113 16.456 445 HE ARG 56 HE ARG 56 -0.483 -14.726 16.707 446 HH11 ARG 56 1HH1 ARG 56 -3.443 -12.941 17.119 447 HH12 ARG 56 2HH1 ARG 56 -4.459 -14.262 16.645 448 HH21 ARG 56 1HH2 ARG 56 -1.810 -16.473 16.081 449 HH22 ARG 56 2HH2 ARG 56 -3.529 -16.271 16.055 450 H LYS 57 H LYS 57 0.893 -9.452 21.018 451 HA LYS 57 HA LYS 57 1.638 -7.054 19.749 452 HB2 LYS 57 2HB LYS 57 1.056 -7.496 22.682 453 HB3 LYS 57 3HB LYS 57 1.006 -5.956 21.833 454 HG2 LYS 57 2HG LYS 57 -0.740 -7.260 20.331 455 HG3 LYS 57 3HG LYS 57 -0.927 -8.203 21.811 456 HD2 LYS 57 2HD LYS 57 -1.351 -6.117 23.055 457 HD3 LYS 57 3HD LYS 57 -1.227 -5.211 21.545 458 HE2 LYS 57 2HE LYS 57 -3.502 -5.483 21.706 459 HE3 LYS 57 3HE LYS 57 -3.066 -6.891 20.740 460 HZ1 LYS 57 3HZ LYS 57 -3.252 -7.043 23.685 461 HZ2 LYS 57 1HZ LYS 57 -3.307 -8.303 22.557 462 HZ3 LYS 57 2HZ LYS 57 -4.617 -7.244 22.706 463 H LEU 58 H LEU 58 3.063 -8.713 22.561 464 HA LEU 58 HA LEU 58 5.125 -6.974 23.118 465 HB2 LEU 58 2HB LEU 58 4.521 -8.956 24.458 466 HB3 LEU 58 3HB LEU 58 5.247 -9.984 23.225 467 HG LEU 58 HG LEU 58 6.593 -9.509 25.351 468 HD11 LEU 58 1HD1 LEU 58 7.390 -10.415 23.085 469 HD12 LEU 58 2HD1 LEU 58 8.598 -9.774 24.199 470 HD13 LEU 58 3HD1 LEU 58 8.054 -8.800 22.832 471 HD21 LEU 58 3HD2 LEU 58 6.041 -6.940 24.920 472 HD22 LEU 58 1HD2 LEU 58 7.552 -7.044 24.016 473 HD23 LEU 58 2HD2 LEU 58 7.518 -7.469 25.727 474 H LEU 59 H LEU 59 5.203 -9.745 20.884 475 HA LEU 59 HA LEU 59 7.839 -9.408 20.009 476 HB2 LEU 59 2HB LEU 59 5.413 -10.747 18.928 477 HB3 LEU 59 3HB LEU 59 6.793 -10.525 17.855 478 HG LEU 59 HG LEU 59 6.589 -12.760 19.057 479 HD11 LEU 59 1HD1 LEU 59 9.027 -11.031 19.012 480 HD12 LEU 59 2HD1 LEU 59 8.614 -12.414 18.000 481 HD13 LEU 59 3HD1 LEU 59 9.106 -12.664 19.675 482 HD21 LEU 59 3HD2 LEU 59 7.834 -11.356 21.385 483 HD22 LEU 59 1HD2 LEU 59 7.079 -12.948 21.308 484 HD23 LEU 59 2HD2 LEU 59 6.079 -11.495 21.267 485 H GLY 60 H GLY 60 4.793 -8.177 18.647 486 HA2 GLY 60 2HA GLY 60 5.786 -6.930 16.379 487 HA3 GLY 60 3HA GLY 60 4.379 -6.381 17.278 488 H LEU 61 H LEU 61 5.585 -5.645 19.680 489 HA LEU 61 HA LEU 61 6.410 -3.038 19.133 490 HB2 LEU 61 2HB LEU 61 5.529 -4.139 21.314 491 HB3 LEU 61 3HB LEU 61 7.232 -4.453 21.637 492 HG LEU 61 HG LEU 61 7.623 -1.977 21.419 493 HD11 LEU 61 1HD1 LEU 61 4.959 -1.178 22.070 494 HD12 LEU 61 2HD1 LEU 61 4.955 -2.025 20.523 495 HD13 LEU 61 3HD1 LEU 61 5.999 -0.623 20.758 496 HD21 LEU 61 3HD2 LEU 61 6.937 -1.508 23.658 497 HD22 LEU 61 1HD2 LEU 61 7.393 -3.210 23.580 498 HD23 LEU 61 2HD2 LEU 61 5.689 -2.754 23.596 499 H TYR 62 H TYR 62 8.337 -5.895 19.990 500 HA TYR 62 HA TYR 62 10.838 -4.579 19.955 501 HB2 TYR 62 2HB TYR 62 9.929 -7.420 19.915 502 HB3 TYR 62 3HB TYR 62 11.599 -7.078 19.478 503 HD1 TYR 62 HD1 TYR 62 13.143 -6.111 21.128 504 HD2 TYR 62 HD2 TYR 62 9.161 -7.177 22.181 505 HE1 TYR 62 HE1 TYR 62 13.750 -6.005 23.509 506 HE2 TYR 62 HE2 TYR 62 9.756 -7.073 24.565 507 HH TYR 62 HH TYR 62 13.046 -6.215 25.601 508 H LEU 63 H LEU 63 8.877 -6.057 17.469 509 HA LEU 63 HA LEU 63 10.883 -6.213 15.471 510 HB2 LEU 63 2HB LEU 63 8.849 -7.516 15.326 511 HB3 LEU 63 3HB LEU 63 7.882 -6.045 15.247 512 HG LEU 63 HG LEU 63 8.349 -7.405 13.085 513 HD11 LEU 63 1HD1 LEU 63 8.995 -4.578 12.593 514 HD12 LEU 63 2HD1 LEU 63 7.554 -4.872 13.566 515 HD13 LEU 63 3HD1 LEU 63 7.688 -5.576 11.955 516 HD21 LEU 63 3HD2 LEU 63 10.353 -7.022 11.957 517 HD22 LEU 63 1HD2 LEU 63 10.862 -7.347 13.614 518 HD23 LEU 63 2HD2 LEU 63 10.807 -5.687 13.019 519 H MET 64 H MET 64 8.202 -3.897 15.911 520 HA MET 64 HA MET 64 9.014 -2.139 13.874 521 HB2 MET 64 2HB MET 64 7.364 -0.670 14.662 522 HB3 MET 64 3HB MET 64 6.757 -2.265 15.086 523 HG2 MET 64 2HG MET 64 6.388 -1.278 17.069 524 HG3 MET 64 3HG MET 64 8.079 -1.694 17.336 525 HE1 MET 64 3HE MET 64 7.777 1.500 19.200 526 HE2 MET 64 1HE MET 64 6.158 1.472 18.501 527 HE3 MET 64 2HE MET 64 6.893 -0.022 19.082 528 H ASN 65 H ASN 65 9.971 -2.459 17.215 529 HA ASN 65 HA ASN 65 11.225 0.079 17.465 530 HB2 ASN 65 2HB ASN 65 10.506 -1.420 19.368 531 HB3 ASN 65 3HB ASN 65 11.905 -2.428 19.009 532 HD21 ASN 65 1HD2 ASN 65 12.820 -2.042 21.016 533 HD22 ASN 65 2HD2 ASN 65 13.538 -0.525 21.426 534 H HIS 66 H HIS 66 12.444 -3.169 16.709 535 HA HIS 66 HA HIS 66 15.159 -2.414 16.470 536 HB2 HIS 66 2HB HIS 66 14.251 -4.764 16.763 537 HB3 HIS 66 3HB HIS 66 13.836 -4.728 15.052 538 HD1 HIS 66 HD1 HIS 66 17.035 -3.616 16.786 539 HD2 HIS 66 HD2 HIS 66 15.718 -6.283 13.886 540 HE1 HIS 66 HE1 HIS 66 19.115 -4.683 15.860 541 H VAL 67 H VAL 67 12.466 -2.426 14.233 542 HA VAL 67 HA VAL 67 14.000 -2.058 11.865 543 HB VAL 67 HB VAL 67 11.107 -1.371 12.403 544 HG11 VAL 67 1HG1 VAL 67 10.899 -1.509 9.922 545 HG12 VAL 67 2HG1 VAL 67 11.864 -0.145 10.489 546 HG13 VAL 67 3HG1 VAL 67 12.658 -1.574 9.827 547 HG21 VAL 67 3HG2 VAL 67 12.397 -3.869 12.212 548 HG22 VAL 67 1HG2 VAL 67 10.665 -3.542 12.256 549 HG23 VAL 67 2HG2 VAL 67 11.505 -3.641 10.708 550 H VAL 68 H VAL 68 12.081 0.202 13.846 551 HA VAL 68 HA VAL 68 12.772 2.521 12.414 552 HB VAL 68 HB VAL 68 11.969 3.782 14.331 553 HG11 VAL 68 1HG1 VAL 68 9.757 2.425 14.674 554 HG12 VAL 68 2HG1 VAL 68 10.154 3.101 13.093 555 HG13 VAL 68 3HG1 VAL 68 10.438 1.390 13.419 556 HG21 VAL 68 3HG2 VAL 68 11.278 2.617 16.396 557 HG22 VAL 68 1HG2 VAL 68 12.006 1.135 15.776 558 HG23 VAL 68 2HG2 VAL 68 13.018 2.537 16.121 559 H GLN 69 H GLN 69 14.346 0.827 15.050 560 HA GLN 69 HA GLN 69 16.203 2.887 15.685 561 HB2 GLN 69 2HB GLN 69 15.866 0.016 16.375 562 HB3 GLN 69 3HB GLN 69 17.469 0.708 16.584 563 HG2 GLN 69 2HG GLN 69 16.574 2.408 18.058 564 HG3 GLN 69 3HG GLN 69 14.942 1.793 17.806 565 HE21 GLN 69 1HE2 GLN 69 14.465 1.162 19.835 566 HE22 GLN 69 2HE2 GLN 69 15.319 -0.064 20.702 567 H GLN 70 H GLN 70 16.293 0.063 13.566 568 HA GLN 70 HA GLN 70 19.038 0.410 12.841 569 HB2 GLN 70 2HB GLN 70 16.786 -1.303 11.858 570 HB3 GLN 70 3HB GLN 70 18.258 -1.170 10.905 571 HG2 GLN 70 2HG GLN 70 18.404 -1.869 13.805 572 HG3 GLN 70 3HG GLN 70 17.999 -3.099 12.608 573 HE21 GLN 70 1HE2 GLN 70 19.528 -3.393 10.833 574 HE22 GLN 70 2HE2 GLN 70 21.213 -3.167 11.140 575 H ALA 71 H ALA 71 15.972 1.533 11.610 576 HA ALA 71 HA ALA 71 16.615 2.267 9.027 577 HB1 ALA 71 1HB ALA 71 14.504 2.934 9.138 578 HB2 ALA 71 2HB ALA 71 14.544 2.861 10.900 579 HB3 ALA 71 3HB ALA 71 15.017 4.343 10.068 580 H LYS 72 H LYS 72 17.505 3.793 12.043 581 HA LYS 72 HA LYS 72 18.275 6.310 11.149 582 HB2 LYS 72 2HB LYS 72 18.990 4.571 13.442 583 HB3 LYS 72 3HB LYS 72 20.104 5.882 13.079 584 HG2 LYS 72 2HG LYS 72 18.077 7.413 13.120 585 HG3 LYS 72 3HG LYS 72 17.209 6.058 13.846 586 HD2 LYS 72 2HD LYS 72 17.932 6.987 15.774 587 HD3 LYS 72 3HD LYS 72 19.410 6.096 15.401 588 HE2 LYS 72 2HE LYS 72 20.028 8.255 14.069 589 HE3 LYS 72 3HE LYS 72 18.820 9.011 15.107 590 HZ1 LYS 72 3HZ LYS 72 20.370 9.159 16.662 591 HZ2 LYS 72 1HZ LYS 72 21.484 8.306 15.717 592 HZ3 LYS 72 2HZ LYS 72 20.437 7.471 16.750 593 H GLY 73 H GLY 73 19.791 3.221 10.712 594 HA2 GLY 73 2HA GLY 73 22.355 4.328 9.955 595 HA3 GLY 73 3HA GLY 73 21.880 2.638 9.874 596 H GLN 74 H GLN 74 19.383 3.653 8.382 597 HA GLN 74 HA GLN 74 20.680 3.688 5.748 598 HB2 GLN 74 2HB GLN 74 17.761 3.155 6.236 599 HB3 GLN 74 3HB GLN 74 18.743 2.695 4.852 600 HG2 GLN 74 2HG GLN 74 18.628 1.466 7.572 601 HG3 GLN 74 3HG GLN 74 18.437 0.705 5.994 602 HE21 GLN 74 1HE2 GLN 74 20.271 0.310 8.389 603 HE22 GLN 74 2HE2 GLN 74 21.848 0.214 7.689 604 H LYS 75 H LYS 75 19.961 5.962 7.717 605 HA LYS 75 HA LYS 75 19.284 8.131 7.593 606 HB2 LYS 75 2HB LYS 75 19.344 7.777 4.597 607 HB3 LYS 75 3HB LYS 75 19.565 9.265 5.508 608 HG2 LYS 75 2HG LYS 75 21.448 6.917 5.581 609 HG3 LYS 75 3HG LYS 75 21.664 8.356 4.582 610 HD2 LYS 75 2HD LYS 75 22.919 8.970 6.385 611 HD3 LYS 75 3HD LYS 75 21.347 9.566 6.923 612 HE2 LYS 75 2HE LYS 75 21.098 7.906 8.477 613 HE3 LYS 75 3HE LYS 75 22.082 6.759 7.570 614 HZ1 LYS 75 3HZ LYS 75 24.056 7.883 8.254 615 HZ2 LYS 75 1HZ LYS 75 23.134 7.572 9.638 616 HZ3 LYS 75 2HZ LYS 75 23.174 9.130 8.981 617 H ILE 76 H ILE 76 17.219 6.646 8.208 618 HA ILE 76 HA ILE 76 15.036 7.580 6.460 619 HB ILE 76 HB ILE 76 14.887 5.159 8.248 620 HG12 ILE 76 2HG1 ILE 76 15.508 5.306 5.291 621 HG13 ILE 76 3HG1 ILE 76 16.591 4.741 6.559 622 HG21 ILE 76 1HG2 ILE 76 12.810 6.446 7.459 623 HG22 ILE 76 2HG2 ILE 76 13.175 5.780 5.868 624 HG23 ILE 76 3HG2 ILE 76 12.844 4.699 7.222 625 HD11 ILE 76 3HD1 ILE 76 14.302 3.388 5.271 626 HD12 ILE 76 1HD1 ILE 76 15.856 2.743 5.800 627 HD13 ILE 76 2HD1 ILE 76 14.584 3.059 6.980 628 H ILE 77 H ILE 77 13.808 9.083 7.362 629 HA ILE 77 HA ILE 77 13.574 9.135 10.301 630 HB ILE 77 HB ILE 77 13.422 11.475 8.396 631 HG12 ILE 77 2HG1 ILE 77 15.520 10.813 10.472 632 HG13 ILE 77 3HG1 ILE 77 15.708 10.529 8.745 633 HG21 ILE 77 1HG2 ILE 77 12.240 12.434 10.023 634 HG22 ILE 77 2HG2 ILE 77 12.572 11.116 11.146 635 HG23 ILE 77 3HG2 ILE 77 13.729 12.434 10.968 636 HD11 ILE 77 3HD1 ILE 77 15.094 13.117 8.670 637 HD12 ILE 77 1HD1 ILE 77 15.812 13.048 10.279 638 HD13 ILE 77 2HD1 ILE 77 16.744 12.529 8.875 639 H GLN 78 H GLN 78 11.918 9.120 7.268 640 HA GLN 78 HA GLN 78 9.402 10.072 8.069 641 HB2 GLN 78 2HB GLN 78 10.434 8.417 5.828 642 HB3 GLN 78 3HB GLN 78 8.704 8.356 6.137 643 HG2 GLN 78 2HG GLN 78 9.426 10.036 4.437 644 HG3 GLN 78 3HG GLN 78 8.462 10.679 5.766 645 HE21 GLN 78 1HE2 GLN 78 11.871 10.065 4.985 646 HE22 GLN 78 2HE2 GLN 78 12.460 11.565 5.607 647 H PHE 79 H PHE 79 10.737 6.785 8.014 648 HA PHE 79 HA PHE 79 8.421 5.457 8.884 649 HB2 PHE 79 2HB PHE 79 11.072 4.752 8.238 650 HB3 PHE 79 3HB PHE 79 10.798 4.165 9.875 651 HD1 PHE 79 HD2 PHE 79 7.989 3.403 9.825 652 HD2 PHE 79 HD1 PHE 79 11.006 2.901 6.864 653 HE1 PHE 79 HE2 PHE 79 6.777 1.461 8.924 654 HE2 PHE 79 HE1 PHE 79 9.797 0.958 5.958 655 HZ PHE 79 HZ PHE 79 7.681 0.235 6.989 656 H GLN 80 H GLN 80 11.116 6.884 10.674 657 HA GLN 80 HA GLN 80 10.498 5.983 13.226 658 HB2 GLN 80 2HB GLN 80 11.636 8.682 12.476 659 HB3 GLN 80 3HB GLN 80 11.755 7.911 14.053 660 HG2 GLN 80 2HG GLN 80 13.157 6.189 13.186 661 HG3 GLN 80 3HG GLN 80 12.895 6.737 11.531 662 HE21 GLN 80 1HE2 GLN 80 15.382 6.401 13.011 663 HE22 GLN 80 2HE2 GLN 80 16.163 7.942 12.995 664 H ASP 81 H ASP 81 9.444 8.989 11.637 665 HA ASP 81 HA ASP 81 7.796 9.855 13.762 666 HB2 ASP 81 2HB ASP 81 8.587 11.404 12.055 667 HB3 ASP 81 3HB ASP 81 7.690 10.532 10.816 668 H SER 82 H SER 82 7.250 7.758 11.013 669 HA SER 82 HA SER 82 4.419 7.714 11.157 670 HB2 SER 82 2HB SER 82 6.286 5.603 10.052 671 HB3 SER 82 3HB SER 82 4.564 5.752 9.706 672 HG SER 82 HG SER 82 6.297 7.909 9.206 673 H PHE 83 H PHE 83 6.922 5.541 12.433 674 HA PHE 83 HA PHE 83 5.021 3.841 13.742 675 HB2 PHE 83 2HB PHE 83 7.969 3.975 13.486 676 HB3 PHE 83 3HB PHE 83 7.352 3.197 14.940 677 HD1 PHE 83 HD1 PHE 83 5.073 1.718 14.152 678 HD2 PHE 83 HD2 PHE 83 8.659 2.409 11.966 679 HE1 PHE 83 HE1 PHE 83 4.695 -0.356 12.883 680 HE2 PHE 83 HE2 PHE 83 8.286 0.337 10.693 681 HZ PHE 83 HZ PHE 83 6.302 -1.048 11.149 682 H GLY 84 H GLY 84 6.651 6.765 14.524 683 HA2 GLY 84 2HA GLY 84 6.437 6.456 17.388 684 HA3 GLY 84 3HA GLY 84 6.940 7.903 16.526 685 H LYS 85 H LYS 85 4.617 8.073 14.842 686 HA LYS 85 HA LYS 85 2.925 9.562 16.559 687 HB2 LYS 85 2HB LYS 85 1.531 9.898 14.584 688 HB3 LYS 85 3HB LYS 85 3.229 10.119 14.185 689 HG2 LYS 85 2HG LYS 85 3.332 8.162 12.957 690 HG3 LYS 85 3HG LYS 85 1.914 7.471 13.750 691 HD2 LYS 85 2HD LYS 85 1.391 8.134 11.463 692 HD3 LYS 85 3HD LYS 85 0.488 9.113 12.621 693 HE2 LYS 85 2HE LYS 85 2.008 10.951 12.333 694 HE3 LYS 85 3HE LYS 85 3.074 9.970 11.329 695 HZ1 LYS 85 3HZ LYS 85 0.266 10.486 10.562 696 HZ2 LYS 85 1HZ LYS 85 1.547 9.971 9.584 697 HZ3 LYS 85 2HZ LYS 85 1.506 11.562 10.156 698 H VAL 86 H VAL 86 3.061 6.254 15.778 699 HA VAL 86 HA VAL 86 0.304 5.843 16.734 700 HB VAL 86 HB VAL 86 0.404 3.620 15.695 701 HG11 VAL 86 1HG1 VAL 86 1.244 5.434 13.498 702 HG12 VAL 86 2HG1 VAL 86 -0.155 4.365 13.612 703 HG13 VAL 86 3HG1 VAL 86 -0.148 5.905 14.472 704 HG21 VAL 86 3HG2 VAL 86 2.860 3.334 15.888 705 HG22 VAL 86 1HG2 VAL 86 2.239 2.960 14.280 706 HG23 VAL 86 2HG2 VAL 86 3.066 4.490 14.572 707 H ALA 87 H ALA 87 3.661 5.135 17.283 708 HA ALA 87 HA ALA 87 3.575 2.938 18.942 709 HB1 ALA 87 1HB ALA 87 5.730 3.524 18.594 710 HB2 ALA 87 2HB ALA 87 5.385 5.253 18.646 711 HB3 ALA 87 3HB ALA 87 5.520 4.335 20.146 712 H ALA 88 H ALA 88 3.322 6.354 19.934 713 HA ALA 88 HA ALA 88 2.918 5.922 22.655 714 HB1 ALA 88 1HB ALA 88 1.829 8.155 20.944 715 HB2 ALA 88 2HB ALA 88 1.944 8.168 22.705 716 HB3 ALA 88 3HB ALA 88 3.410 8.118 21.725 717 H GLU 89 H GLU 89 0.711 5.654 19.968 718 HA GLU 89 HA GLU 89 -1.672 5.627 21.559 719 HB2 GLU 89 2HB GLU 89 -1.444 6.208 19.061 720 HB3 GLU 89 3HB GLU 89 -1.423 4.471 18.793 721 HG2 GLU 89 2HG GLU 89 -3.641 4.943 18.501 722 HG3 GLU 89 3HG GLU 89 -3.608 4.505 20.208 723 H VAL 90 H VAL 90 0.029 3.090 19.714 724 HA VAL 90 HA VAL 90 -1.478 0.928 20.619 725 HB VAL 90 HB VAL 90 0.518 -0.470 20.050 726 HG11 VAL 90 1HG1 VAL 90 -0.001 1.548 17.889 727 HG12 VAL 90 2HG1 VAL 90 0.287 -0.186 17.734 728 HG13 VAL 90 3HG1 VAL 90 -1.234 0.400 18.408 729 HG21 VAL 90 3HG2 VAL 90 2.304 0.997 20.681 730 HG22 VAL 90 1HG2 VAL 90 2.418 0.710 18.944 731 HG23 VAL 90 2HG2 VAL 90 1.759 2.231 19.546 732 H LEU 91 H LEU 91 1.423 2.417 21.991 733 HA LEU 91 HA LEU 91 1.989 0.567 23.983 734 HB2 LEU 91 2HB LEU 91 2.598 3.372 23.449 735 HB3 LEU 91 3HB LEU 91 2.577 2.974 25.166 736 HG LEU 91 HG LEU 91 4.126 0.977 24.281 737 HD11 LEU 91 1HD1 LEU 91 5.704 1.929 22.614 738 HD12 LEU 91 2HD1 LEU 91 4.567 3.252 22.356 739 HD13 LEU 91 3HD1 LEU 91 4.097 1.598 21.967 740 HD21 LEU 91 3HD2 LEU 91 4.444 3.156 25.855 741 HD22 LEU 91 1HD2 LEU 91 5.602 3.502 24.571 742 HD23 LEU 91 2HD2 LEU 91 5.725 2.000 25.487 743 H GLY 92 H GLY 92 -0.184 3.378 24.091 744 HA2 GLY 92 2HA GLY 92 -0.949 3.109 26.786 745 HA3 GLY 92 3HA GLY 92 -1.876 3.930 25.539 746 H ARG 93 H ARG 93 -2.062 1.494 23.891 747 HA ARG 93 HA ARG 93 -4.414 0.405 25.149 748 HB2 ARG 93 2HB ARG 93 -3.134 0.236 22.473 749 HB3 ARG 93 3HB ARG 93 -4.164 -1.107 22.951 750 HG2 ARG 93 2HG ARG 93 -5.019 1.779 22.953 751 HG3 ARG 93 3HG ARG 93 -5.335 0.637 21.645 752 HD2 ARG 93 2HD ARG 93 -6.363 -0.819 23.553 753 HD3 ARG 93 3HD ARG 93 -6.462 0.719 24.410 754 HE ARG 93 HE ARG 93 -7.563 0.826 21.765 755 HH11 ARG 93 1HH1 ARG 93 -8.205 -0.006 25.083 756 HH12 ARG 93 2HH1 ARG 93 -9.918 0.213 24.943 757 HH21 ARG 93 1HH2 ARG 93 -9.816 1.117 21.567 758 HH22 ARG 93 2HH2 ARG 93 -10.834 0.851 22.942 759 H ILE 94 H ILE 94 -1.377 -0.997 23.911 760 HA ILE 94 HA ILE 94 -1.818 -3.582 24.926 761 HB ILE 94 HB ILE 94 0.508 -4.021 24.504 762 HG12 ILE 94 2HG1 ILE 94 0.818 -1.020 24.265 763 HG13 ILE 94 3HG1 ILE 94 1.469 -2.030 25.551 764 HG21 ILE 94 1HG2 ILE 94 0.178 -2.196 22.261 765 HG22 ILE 94 2HG2 ILE 94 0.240 -3.957 22.289 766 HG23 ILE 94 3HG2 ILE 94 -1.279 -3.123 22.617 767 HD11 ILE 94 3HD1 ILE 94 2.590 -1.385 22.999 768 HD12 ILE 94 1HD1 ILE 94 3.324 -2.219 24.369 769 HD13 ILE 94 2HD1 ILE 94 2.416 -3.132 23.163 770 H ASN 95 H ASN 95 -0.673 -0.672 26.415 771 HA ASN 95 HA ASN 95 0.771 -1.685 28.570 772 HB2 ASN 95 2HB ASN 95 0.799 0.671 28.158 773 HB3 ASN 95 3HB ASN 95 -0.951 0.784 28.326 774 HD21 ASN 95 1HD2 ASN 95 -1.386 1.903 30.079 775 HD22 ASN 95 2HD2 ASN 95 -0.644 1.701 31.626 776 H GLN 96 H GLN 96 -2.670 -1.533 28.012 777 HA GLN 96 HA GLN 96 -3.353 -2.196 30.737 778 HB2 GLN 96 2HB GLN 96 -5.027 -2.060 28.225 779 HB3 GLN 96 3HB GLN 96 -5.670 -2.374 29.831 780 HG2 GLN 96 2HG GLN 96 -4.825 -0.183 30.569 781 HG3 GLN 96 3HG GLN 96 -4.270 0.130 28.926 782 HE21 GLN 96 1HE2 GLN 96 -5.604 1.198 27.658 783 HE22 GLN 96 2HE2 GLN 96 -7.311 1.349 27.873 784 H GLU 97 H GLU 97 -3.386 -3.849 27.594 785 HA GLU 97 HA GLU 97 -4.299 -6.331 28.657 786 HB2 GLU 97 2HB GLU 97 -3.035 -5.551 26.035 787 HB3 GLU 97 3HB GLU 97 -3.466 -7.214 26.407 788 HG2 GLU 97 2HG GLU 97 -5.568 -5.173 26.790 789 HG3 GLU 97 3HG GLU 97 -5.094 -5.538 25.132 790 H PHE 98 H PHE 98 -1.327 -4.752 28.765 791 HA PHE 98 HA PHE 98 0.260 -7.190 28.884 792 HB2 PHE 98 2HB PHE 98 0.880 -4.262 28.837 793 HB3 PHE 98 3HB PHE 98 2.084 -5.384 29.463 794 HD1 PHE 98 HD1 PHE 98 -0.182 -6.443 26.818 795 HD2 PHE 98 HD2 PHE 98 3.640 -4.786 27.691 796 HE1 PHE 98 HE1 PHE 98 0.551 -6.932 24.521 797 HE2 PHE 98 HE2 PHE 98 4.379 -5.272 25.395 798 HZ PHE 98 HZ PHE 98 2.834 -6.346 23.806 799 HA PRO 99 HA PRO 99 -0.565 -7.313 33.295 800 HB2 PRO 99 2HB PRO 99 0.620 -9.725 33.685 801 HB3 PRO 99 3HB PRO 99 -1.008 -9.551 33.017 802 HG2 PRO 99 2HG PRO 99 1.584 -10.021 31.594 803 HG3 PRO 99 3HG PRO 99 0.001 -10.770 31.313 804 HD2 PRO 99 2HD PRO 99 0.953 -8.758 29.772 805 HD3 PRO 99 3HD PRO 99 -0.778 -8.970 30.104 806 H ARG 100 H ARG 100 0.952 -8.028 35.196 807 HA ARG 100 HA ARG 100 3.064 -6.227 35.349 808 HB2 ARG 100 2HB ARG 100 3.728 -7.435 37.392 809 HB3 ARG 100 3HB ARG 100 1.996 -7.137 37.334 810 HG2 ARG 100 2HG ARG 100 1.760 -9.490 36.431 811 HG3 ARG 100 3HG ARG 100 3.449 -9.724 36.886 812 HD2 ARG 100 2HD ARG 100 1.566 -8.616 38.907 813 HD3 ARG 100 3HD ARG 100 1.483 -10.337 38.533 814 HE ARG 100 HE ARG 100 4.151 -9.475 39.066 815 HH11 ARG 100 1HH1 ARG 100 1.148 -10.406 40.560 816 HH12 ARG 100 2HH1 ARG 100 1.894 -10.939 42.030 817 HH21 ARG 100 1HH2 ARG 100 5.145 -10.173 40.996 818 HH22 ARG 100 2HH2 ARG 100 4.168 -10.805 42.278 819 H ASP 101 H ASP 101 2.955 -9.429 34.052 820 HA ASP 101 HA ASP 101 5.753 -9.966 34.168 821 HB2 ASP 101 2HB ASP 101 3.615 -11.155 32.388 822 HB3 ASP 101 3HB ASP 101 5.242 -11.797 32.593 823 H LEU 102 H LEU 102 3.588 -8.911 31.547 824 HA LEU 102 HA LEU 102 5.718 -8.538 29.682 825 HB2 LEU 102 2HB LEU 102 2.802 -8.060 29.748 826 HB3 LEU 102 3HB LEU 102 3.734 -7.070 28.627 827 HG LEU 102 HG LEU 102 2.851 -8.976 27.460 828 HD11 LEU 102 1HD1 LEU 102 4.835 -9.813 26.474 829 HD12 LEU 102 2HD1 LEU 102 5.771 -9.517 27.939 830 HD13 LEU 102 3HD1 LEU 102 5.182 -8.159 26.981 831 HD21 LEU 102 3HD2 LEU 102 3.177 -11.219 28.098 832 HD22 LEU 102 1HD2 LEU 102 2.676 -10.381 29.566 833 HD23 LEU 102 2HD2 LEU 102 4.375 -10.783 29.318 834 H LYS 103 H LYS 103 4.052 -6.504 31.989 835 HA LYS 103 HA LYS 103 4.664 -3.971 31.131 836 HB2 LYS 103 2HB LYS 103 4.474 -5.174 33.874 837 HB3 LYS 103 3HB LYS 103 4.915 -3.483 33.678 838 HG2 LYS 103 2HG LYS 103 2.678 -3.807 32.067 839 HG3 LYS 103 3HG LYS 103 2.325 -4.744 33.520 840 HD2 LYS 103 2HD LYS 103 2.388 -2.898 34.888 841 HD3 LYS 103 3HD LYS 103 3.472 -2.008 33.817 842 HE2 LYS 103 2HE LYS 103 1.274 -1.003 33.775 843 HE3 LYS 103 3HE LYS 103 1.621 -1.740 32.212 844 HZ1 LYS 103 3HZ LYS 103 -0.614 -2.150 33.698 845 HZ2 LYS 103 1HZ LYS 103 0.308 -3.531 34.024 846 HZ3 LYS 103 2HZ LYS 103 -0.084 -3.133 32.428 847 H LYS 104 H LYS 104 6.789 -6.336 32.604 848 HA LYS 104 HA LYS 104 8.960 -4.563 33.093 849 HB2 LYS 104 2HB LYS 104 8.830 -6.649 34.297 850 HB3 LYS 104 3HB LYS 104 8.845 -7.568 32.798 851 HG2 LYS 104 2HG LYS 104 11.158 -5.934 32.828 852 HG3 LYS 104 3HG LYS 104 11.036 -6.735 34.396 853 HD2 LYS 104 2HD LYS 104 10.443 -8.519 32.175 854 HD3 LYS 104 3HD LYS 104 12.065 -7.830 32.078 855 HE2 LYS 104 2HE LYS 104 11.008 -9.043 34.613 856 HE3 LYS 104 3HE LYS 104 11.770 -10.026 33.364 857 HZ1 LYS 104 3HZ LYS 104 13.381 -9.385 35.016 858 HZ2 LYS 104 1HZ LYS 104 13.018 -7.747 34.802 859 HZ3 LYS 104 2HZ LYS 104 13.749 -8.622 33.553 860 H LYS 105 H LYS 105 8.125 -6.740 30.430 861 HA LYS 105 HA LYS 105 10.510 -6.229 28.947 862 HB2 LYS 105 2HB LYS 105 7.907 -7.230 27.804 863 HB3 LYS 105 3HB LYS 105 9.538 -7.536 27.220 864 HG2 LYS 105 2HG LYS 105 8.408 -8.550 29.821 865 HG3 LYS 105 3HG LYS 105 8.549 -9.487 28.331 866 HD2 LYS 105 2HD LYS 105 11.024 -8.172 29.237 867 HD3 LYS 105 3HD LYS 105 10.417 -9.450 30.292 868 HE2 LYS 105 2HE LYS 105 11.537 -10.822 28.913 869 HE3 LYS 105 3HE LYS 105 10.155 -10.601 27.841 870 HZ1 LYS 105 3HZ LYS 105 12.037 -8.495 27.533 871 HZ2 LYS 105 1HZ LYS 105 11.427 -9.564 26.372 872 HZ3 LYS 105 2HZ LYS 105 12.779 -9.996 27.292 873 H LEU 106 H LEU 106 7.332 -4.782 29.105 874 HA LEU 106 HA LEU 106 7.690 -3.195 26.729 875 HB2 LEU 106 2HB LEU 106 5.464 -3.759 27.210 876 HB3 LEU 106 3HB LEU 106 5.623 -3.289 28.901 877 HG LEU 106 HG LEU 106 5.931 -1.158 26.859 878 HD11 LEU 106 1HD1 LEU 106 3.153 -1.639 27.649 879 HD12 LEU 106 2HD1 LEU 106 3.817 -2.842 26.544 880 HD13 LEU 106 3HD1 LEU 106 3.826 -1.136 26.097 881 HD21 LEU 106 3HD2 LEU 106 5.526 -1.394 29.670 882 HD22 LEU 106 1HD2 LEU 106 4.164 -0.519 28.969 883 HD23 LEU 106 2HD2 LEU 106 5.811 0.058 28.709 884 H SER 107 H SER 107 8.063 -2.765 30.192 885 HA SER 107 HA SER 107 8.460 0.067 30.060 886 HB2 SER 107 2HB SER 107 7.647 -0.931 32.120 887 HB3 SER 107 3HB SER 107 9.091 -1.937 32.241 888 HG SER 107 HG SER 107 9.099 0.901 32.267 889 H ARG 108 H ARG 108 10.481 -2.744 29.775 890 HA ARG 108 HA ARG 108 12.944 -1.258 30.100 891 HB2 ARG 108 2HB ARG 108 14.066 -3.344 29.797 892 HB3 ARG 108 3HB ARG 108 12.668 -3.650 30.819 893 HG2 ARG 108 2HG ARG 108 11.444 -4.491 28.860 894 HG3 ARG 108 3HG ARG 108 12.884 -4.231 27.873 895 HD2 ARG 108 2HD ARG 108 12.721 -6.040 30.281 896 HD3 ARG 108 3HD ARG 108 12.642 -6.573 28.602 897 HE ARG 108 HE ARG 108 14.984 -5.115 28.874 898 HH11 ARG 108 1HH1 ARG 108 13.593 -8.033 30.168 899 HH12 ARG 108 2HH1 ARG 108 15.123 -8.808 30.414 900 HH21 ARG 108 1HH2 ARG 108 17.004 -6.124 29.194 901 HH22 ARG 108 2HH2 ARG 108 17.063 -7.721 29.861 902 H VAL 109 H VAL 109 10.997 -2.585 27.493 903 HA VAL 109 HA VAL 109 12.935 -2.019 25.449 904 HB VAL 109 HB VAL 109 11.204 -3.826 25.272 905 HG11 VAL 109 1HG1 VAL 109 8.955 -3.352 24.814 906 HG12 VAL 109 2HG1 VAL 109 9.368 -2.280 26.153 907 HG13 VAL 109 3HG1 VAL 109 9.285 -1.647 24.509 908 HG21 VAL 109 3HG2 VAL 109 11.044 -1.844 23.012 909 HG22 VAL 109 1HG2 VAL 109 12.470 -2.829 23.337 910 HG23 VAL 109 2HG2 VAL 109 10.940 -3.602 22.922 911 H VAL 110 H VAL 110 10.143 -0.404 26.824 912 HA VAL 110 HA VAL 110 9.857 1.586 24.828 913 HB VAL 110 HB VAL 110 8.103 1.021 26.505 914 HG11 VAL 110 1HG1 VAL 110 9.572 0.863 28.465 915 HG12 VAL 110 2HG1 VAL 110 9.837 2.607 28.397 916 HG13 VAL 110 3HG1 VAL 110 8.227 1.970 28.738 917 HG21 VAL 110 3HG2 VAL 110 8.872 3.935 26.563 918 HG22 VAL 110 1HG2 VAL 110 8.122 3.137 25.180 919 HG23 VAL 110 2HG2 VAL 110 7.254 3.250 26.711 920 H ASN 111 H ASN 111 11.827 1.328 27.718 921 HA ASN 111 HA ASN 111 12.622 4.041 27.854 922 HB2 ASN 111 2HB ASN 111 13.473 1.489 29.086 923 HB3 ASN 111 3HB ASN 111 14.699 2.752 29.018 924 HD21 ASN 111 1HD2 ASN 111 11.253 2.404 29.796 925 HD22 ASN 111 2HD2 ASN 111 11.297 3.406 31.203 926 H ILE 112 H ILE 112 13.687 1.334 25.957 927 HA ILE 112 HA ILE 112 16.251 2.201 25.242 928 HB ILE 112 HB ILE 112 14.293 0.605 23.585 929 HG12 ILE 112 2HG1 ILE 112 16.563 -0.376 25.323 930 HG13 ILE 112 3HG1 ILE 112 14.885 -0.318 25.853 931 HG21 ILE 112 1HG2 ILE 112 16.322 -0.224 22.432 932 HG22 ILE 112 2HG2 ILE 112 16.033 1.497 22.182 933 HG23 ILE 112 3HG2 ILE 112 17.273 0.967 23.318 934 HD11 ILE 112 3HD1 ILE 112 16.238 -2.194 24.047 935 HD12 ILE 112 1HD1 ILE 112 14.872 -2.440 25.134 936 HD13 ILE 112 2HD1 ILE 112 14.620 -1.695 23.555 937 H LEU 113 H LEU 113 13.086 2.930 23.849 938 HA LEU 113 HA LEU 113 13.844 4.241 21.538 939 HB2 LEU 113 2HB LEU 113 11.554 4.754 23.419 940 HB3 LEU 113 3HB LEU 113 11.733 5.594 21.880 941 HG LEU 113 HG LEU 113 11.621 2.598 22.010 942 HD11 LEU 113 1HD1 LEU 113 9.633 3.216 23.137 943 HD12 LEU 113 2HD1 LEU 113 9.177 2.870 21.470 944 HD13 LEU 113 3HD1 LEU 113 9.324 4.541 22.014 945 HD21 LEU 113 3HD2 LEU 113 12.295 3.286 19.896 946 HD22 LEU 113 1HD2 LEU 113 11.253 4.709 19.917 947 HD23 LEU 113 2HD2 LEU 113 10.549 3.104 19.718 948 H LYS 114 H LYS 114 13.828 5.405 24.851 949 HA LYS 114 HA LYS 114 14.354 8.133 24.191 950 HB2 LYS 114 2HB LYS 114 14.986 6.797 26.817 951 HB3 LYS 114 3HB LYS 114 14.615 8.491 26.527 952 HG2 LYS 114 2HG LYS 114 12.334 7.497 25.669 953 HG3 LYS 114 3HG LYS 114 12.794 6.151 26.714 954 HD2 LYS 114 2HD LYS 114 11.476 7.622 28.033 955 HD3 LYS 114 3HD LYS 114 13.151 7.843 28.547 956 HE2 LYS 114 2HE LYS 114 13.007 9.713 26.620 957 HE3 LYS 114 3HE LYS 114 11.325 9.699 27.150 958 HZ1 LYS 114 3HZ LYS 114 13.097 11.220 28.304 959 HZ2 LYS 114 1HZ LYS 114 13.421 9.817 29.192 960 HZ3 LYS 114 2HZ LYS 114 11.867 10.485 29.203 961 H GLU 115 H GLU 115 16.318 5.309 24.830 962 HA GLU 115 HA GLU 115 18.779 6.676 25.200 963 HB2 GLU 115 2HB GLU 115 17.917 4.060 25.432 964 HB3 GLU 115 3HB GLU 115 19.005 4.000 24.053 965 HG2 GLU 115 2HG GLU 115 20.554 5.392 25.685 966 HG3 GLU 115 3HG GLU 115 19.579 4.571 26.902 967 H ARG 116 H ARG 116 17.280 5.110 22.389 968 HA ARG 116 HA ARG 116 19.436 5.913 20.644 969 HB2 ARG 116 2HB ARG 116 16.760 4.800 19.811 970 HB3 ARG 116 3HB ARG 116 18.276 4.748 18.922 971 HG2 ARG 116 2HG ARG 116 17.624 3.255 21.454 972 HG3 ARG 116 3HG ARG 116 17.784 2.575 19.833 973 HD2 ARG 116 2HD ARG 116 20.150 3.385 19.818 974 HD3 ARG 116 3HD ARG 116 19.947 3.834 21.511 975 HE ARG 116 HE ARG 116 19.232 1.125 21.113 976 HH11 ARG 116 1HH1 ARG 116 21.997 3.231 21.303 977 HH12 ARG 116 2HH1 ARG 116 23.069 1.989 21.859 978 HH21 ARG 116 1HH2 ARG 116 20.633 -0.519 21.844 979 HH22 ARG 116 2HH2 ARG 116 22.292 -0.144 22.166 980 H ASN 117 H ASN 117 16.536 7.282 21.790 981 HA ASN 117 HA ASN 117 15.398 9.191 21.306 982 HB2 ASN 117 2HB ASN 117 17.768 10.100 19.689 983 HB3 ASN 117 3HB ASN 117 16.661 11.068 20.657 984 HD21 ASN 117 1HD2 ASN 117 19.489 9.113 20.646 985 HD22 ASN 117 2HD2 ASN 117 19.944 9.381 22.292 986 H ILE 118 H ILE 118 14.690 7.131 19.700 987 HA ILE 118 HA ILE 118 14.879 7.648 16.925 988 HB ILE 118 HB ILE 118 12.681 6.118 18.315 989 HG12 ILE 118 2HG1 ILE 118 14.881 5.305 19.047 990 HG13 ILE 118 3HG1 ILE 118 14.082 4.125 18.014 991 HG21 ILE 118 1HG2 ILE 118 13.278 6.686 15.574 992 HG22 ILE 118 2HG2 ILE 118 13.420 4.954 15.865 993 HG23 ILE 118 3HG2 ILE 118 11.919 5.792 16.256 994 HD11 ILE 118 3HD1 ILE 118 15.463 4.794 16.143 995 HD12 ILE 118 1HD1 ILE 118 16.231 6.036 17.132 996 HD13 ILE 118 2HD1 ILE 118 16.464 4.331 17.520 997 H PHE 119 H PHE 119 12.062 7.994 19.092 998 HA PHE 119 HA PHE 119 10.729 9.693 17.172 999 HB2 PHE 119 2HB PHE 119 9.845 9.088 19.995 1000 HB3 PHE 119 3HB PHE 119 8.847 9.618 18.645 1001 HD1 PHE 119 HD1 PHE 119 9.721 7.846 16.493 1002 HD2 PHE 119 HD2 PHE 119 9.016 7.019 20.608 1003 HE1 PHE 119 HE1 PHE 119 9.228 5.501 15.934 1004 HE2 PHE 119 HE2 PHE 119 8.524 4.673 20.056 1005 HZ PHE 119 HZ PHE 119 8.630 3.911 17.717 1006 H SER 120 H SER 120 9.776 11.789 17.883 1007 HA SER 120 HA SER 120 11.863 13.427 19.042 1008 HB2 SER 120 2HB SER 120 9.193 14.115 17.797 1009 HB3 SER 120 3HB SER 120 10.322 15.317 18.422 1010 HG SER 120 HG SER 120 10.652 13.553 16.241 1011 H LYS 121 H LYS 121 10.783 15.402 20.371 1012 HA LYS 121 HA LYS 121 10.131 14.305 22.892 1013 HB2 LYS 121 2HB LYS 121 10.581 16.962 21.758 1014 HB3 LYS 121 3HB LYS 121 9.381 16.958 23.044 1015 HG2 LYS 121 2HG LYS 121 10.908 16.172 24.627 1016 HG3 LYS 121 3HG LYS 121 12.049 15.638 23.392 1017 HD2 LYS 121 2HD LYS 121 11.321 18.533 23.659 1018 HD3 LYS 121 3HD LYS 121 12.550 17.811 24.701 1019 HE2 LYS 121 2HE LYS 121 12.625 17.597 21.701 1020 HE3 LYS 121 3HE LYS 121 13.374 18.930 22.578 1021 HZ1 LYS 121 3HZ LYS 121 15.114 17.485 22.423 1022 HZ2 LYS 121 1HZ LYS 121 14.141 16.102 22.485 1023 HZ3 LYS 121 2HZ LYS 121 14.463 16.974 23.898 1024 H GLN 122 H GLN 122 8.184 15.943 20.426 1025 HA GLN 122 HA GLN 122 5.780 16.085 21.830 1026 HB2 GLN 122 2HB GLN 122 6.432 15.914 18.902 1027 HB3 GLN 122 3HB GLN 122 4.762 15.954 19.452 1028 HG2 GLN 122 2HG GLN 122 4.889 18.122 20.139 1029 HG3 GLN 122 3HG GLN 122 6.618 18.033 20.469 1030 HE21 GLN 122 1HE2 GLN 122 4.252 19.052 18.318 1031 HE22 GLN 122 2HE2 GLN 122 5.274 19.461 16.987 1032 H VAL 123 H VAL 123 7.281 13.422 20.132 1033 HA VAL 123 HA VAL 123 4.942 11.747 20.205 1034 HB VAL 123 HB VAL 123 7.815 10.979 19.671 1035 HG11 VAL 123 1HG1 VAL 123 5.217 9.522 19.493 1036 HG12 VAL 123 2HG1 VAL 123 6.511 9.133 18.358 1037 HG13 VAL 123 3HG1 VAL 123 6.779 8.967 20.094 1038 HG21 VAL 123 3HG2 VAL 123 6.867 12.714 18.133 1039 HG22 VAL 123 1HG2 VAL 123 7.342 11.210 17.344 1040 HG23 VAL 123 2HG2 VAL 123 5.639 11.539 17.663 1041 H VAL 124 H VAL 124 8.091 11.722 21.875 1042 HA VAL 124 HA VAL 124 7.626 9.561 23.559 1043 HB VAL 124 HB VAL 124 9.259 12.034 24.147 1044 HG11 VAL 124 1HG1 VAL 124 10.315 9.709 25.371 1045 HG12 VAL 124 2HG1 VAL 124 9.677 11.161 26.144 1046 HG13 VAL 124 3HG1 VAL 124 8.605 9.806 25.789 1047 HG21 VAL 124 3HG2 VAL 124 10.632 9.563 23.403 1048 HG22 VAL 124 1HG2 VAL 124 9.625 10.234 22.121 1049 HG23 VAL 124 2HG2 VAL 124 10.895 11.217 22.851 1050 H ASN 125 H ASN 125 6.927 13.002 24.074 1051 HA ASN 125 HA ASN 125 5.995 12.811 26.704 1052 HB2 ASN 125 2HB ASN 125 5.677 14.763 24.481 1053 HB3 ASN 125 3HB ASN 125 4.547 14.882 25.827 1054 HD21 ASN 125 1HD2 ASN 125 7.577 15.715 24.678 1055 HD22 ASN 125 2HD2 ASN 125 8.260 16.304 26.152 1056 H ASP 126 H ASP 126 4.519 11.949 23.697 1057 HA ASP 126 HA ASP 126 1.819 11.930 24.651 1058 HB2 ASP 126 2HB ASP 126 2.696 12.064 22.203 1059 HB3 ASP 126 3HB ASP 126 2.771 10.307 22.311 1060 H ILE 127 H ILE 127 4.415 9.576 24.404 1061 HA ILE 127 HA ILE 127 2.909 7.259 24.925 1062 HB ILE 127 HB ILE 127 5.804 7.822 25.576 1063 HG12 ILE 127 2HG1 ILE 127 4.802 6.184 23.269 1064 HG13 ILE 127 3HG1 ILE 127 4.889 7.937 23.136 1065 HG21 ILE 127 1HG2 ILE 127 4.281 5.224 25.461 1066 HG22 ILE 127 2HG2 ILE 127 6.036 5.355 25.566 1067 HG23 ILE 127 3HG2 ILE 127 5.027 5.956 26.882 1068 HD11 ILE 127 3HD1 ILE 127 7.358 7.105 24.170 1069 HD12 ILE 127 1HD1 ILE 127 6.963 5.996 22.858 1070 HD13 ILE 127 2HD1 ILE 127 7.010 7.734 22.560 1071 H GLU 128 H GLU 128 4.750 9.369 27.122 1072 HA GLU 128 HA GLU 128 4.250 7.996 29.491 1073 HB2 GLU 128 2HB GLU 128 4.687 10.939 28.979 1074 HB3 GLU 128 3HB GLU 128 4.598 10.247 30.593 1075 HG2 GLU 128 2HG GLU 128 6.551 9.238 28.557 1076 HG3 GLU 128 3HG GLU 128 6.906 10.630 29.578 1077 H ARG 129 H ARG 129 2.482 10.801 28.177 1078 HA ARG 129 HA ARG 129 0.460 10.802 30.133 1079 HB2 ARG 129 2HB ARG 129 -0.686 12.360 28.754 1080 HB3 ARG 129 3HB ARG 129 1.031 12.674 28.536 1081 HG2 ARG 129 2HG ARG 129 1.011 11.489 26.425 1082 HG3 ARG 129 3HG ARG 129 -0.689 11.074 26.653 1083 HD2 ARG 129 2HD ARG 129 -0.308 13.003 25.124 1084 HD3 ARG 129 3HD ARG 129 -1.337 13.373 26.507 1085 HE ARG 129 HE ARG 129 1.380 13.993 27.055 1086 HH11 ARG 129 1HH1 ARG 129 -1.431 15.129 25.343 1087 HH12 ARG 129 2HH1 ARG 129 -0.960 16.795 25.410 1088 HH21 ARG 129 1HH2 ARG 129 2.011 16.183 27.149 1089 HH22 ARG 129 2HH2 ARG 129 0.999 17.393 26.437 1090 H SER 130 H SER 130 0.883 8.972 27.203 1091 HA SER 130 HA SER 130 -1.788 8.140 26.834 1092 HB2 SER 130 2HB SER 130 0.882 7.222 25.883 1093 HB3 SER 130 3HB SER 130 -0.467 6.095 25.735 1094 HG SER 130 HG SER 130 -0.821 7.187 23.965 1095 H LEU 131 H LEU 131 0.862 6.872 28.770 1096 HA LEU 131 HA LEU 131 -0.557 4.494 29.539 1097 HB2 LEU 131 2HB LEU 131 1.918 5.754 30.711 1098 HB3 LEU 131 3HB LEU 131 1.314 4.140 31.079 1099 HG LEU 131 HG LEU 131 2.388 5.083 28.422 1100 HD11 LEU 131 1HD1 LEU 131 4.257 3.671 28.854 1101 HD12 LEU 131 2HD1 LEU 131 3.515 3.040 30.324 1102 HD13 LEU 131 3HD1 LEU 131 4.048 4.720 30.257 1103 HD21 LEU 131 3HD2 LEU 131 1.109 3.452 27.587 1104 HD22 LEU 131 1HD2 LEU 131 0.754 2.789 29.182 1105 HD23 LEU 131 2HD2 LEU 131 2.248 2.346 28.356 1106 H ALA 132 H ALA 132 0.423 7.474 31.229 1107 HA ALA 132 HA ALA 132 -0.749 6.964 33.687 1108 HB1 ALA 132 1HB ALA 132 0.601 8.821 33.710 1109 HB2 ALA 132 2HB ALA 132 -0.069 9.462 32.209 1110 HB3 ALA 132 3HB ALA 132 -0.996 9.570 33.706 1111 H ALA 133 H ALA 133 -2.195 8.212 30.729 1112 HA ALA 133 HA ALA 133 -4.680 8.977 31.826 1113 HB1 ALA 133 1HB ALA 133 -5.484 9.043 29.556 1114 HB2 ALA 133 2HB ALA 133 -3.847 9.696 29.610 1115 HB3 ALA 133 3HB ALA 133 -4.124 8.062 29.007 1116 H ALA 134 H ALA 134 -3.387 5.904 30.809 1117 HA ALA 134 HA ALA 134 -5.987 4.603 30.928 1118 HB1 ALA 134 1HB ALA 134 -3.539 2.973 30.674 1119 HB2 ALA 134 2HB ALA 134 -5.060 2.887 29.785 1120 HB3 ALA 134 3HB ALA 134 -3.862 4.112 29.367 1121 H LEU 135 H LEU 135 -3.252 5.173 32.943 1122 HA LEU 135 HA LEU 135 -3.431 2.984 34.689 1123 HB2 LEU 135 2HB LEU 135 -2.352 5.758 34.908 1124 HB3 LEU 135 3HB LEU 135 -2.459 4.753 36.352 1125 HG LEU 135 HG LEU 135 -0.902 4.081 33.856 1126 HD11 LEU 135 1HD1 LEU 135 -0.201 5.419 36.409 1127 HD12 LEU 135 2HD1 LEU 135 0.432 5.673 34.783 1128 HD13 LEU 135 3HD1 LEU 135 0.961 4.281 35.727 1129 HD21 LEU 135 3HD2 LEU 135 -0.059 2.542 36.033 1130 HD22 LEU 135 1HD2 LEU 135 -0.942 1.993 34.608 1131 HD23 LEU 135 2HD2 LEU 135 -1.822 2.476 36.058 1132 H GLU 136 H GLU 136 -5.353 5.850 34.378 1133 HA GLU 136 HA GLU 136 -6.607 5.495 36.978 1134 HB2 GLU 136 2HB GLU 136 -7.299 7.458 34.786 1135 HB3 GLU 136 3HB GLU 136 -7.853 7.509 36.454 1136 HG2 GLU 136 2HG GLU 136 -4.969 7.737 35.635 1137 HG3 GLU 136 3HG GLU 136 -6.034 9.115 35.911 1138 H HIS 137 H HIS 137 -8.559 4.598 37.338 1139 HA HIS 137 HA HIS 137 -9.743 3.027 35.251 1140 HB2 HIS 137 2HB HIS 137 -10.611 3.523 38.106 1141 HB3 HIS 137 3HB HIS 137 -11.362 2.357 37.021 1142 HD1 HIS 137 HD1 HIS 137 -7.947 3.043 38.543 1143 HD2 HIS 137 HD2 HIS 137 -10.251 -0.113 37.132 1144 HE1 HIS 137 HE1 HIS 137 -6.624 0.965 39.051 1145 H HIS 138 H HIS 138 -10.387 6.099 36.750 1146 HA HIS 138 HA HIS 138 -12.676 6.449 34.937 1147 HB2 HIS 138 2HB HIS 138 -13.750 7.852 36.723 1148 HB3 HIS 138 3HB HIS 138 -13.653 6.136 37.106 1149 HD1 HIS 138 HD1 HIS 138 -12.086 9.439 38.016 1150 HD2 HIS 138 HD2 HIS 138 -12.204 5.512 39.368 1151 HE1 HIS 138 HE1 HIS 138 -10.980 9.472 40.274 Start of MODEL 16 1 H ALA 2 H ALA 2 7.919 -7.904 -5.034 2 HA ALA 2 HA ALA 2 7.216 -5.079 -4.729 3 HB1 ALA 2 1HB ALA 2 5.541 -5.561 -6.098 4 HB2 ALA 2 2HB ALA 2 6.077 -7.241 -6.157 5 HB3 ALA 2 3HB ALA 2 4.910 -6.731 -4.938 6 H PHE 3 H PHE 3 5.875 -4.329 -3.076 7 HA PHE 3 HA PHE 3 6.061 -5.858 -0.614 8 HB2 PHE 3 2HB PHE 3 6.678 -3.548 -0.440 9 HB3 PHE 3 3HB PHE 3 5.180 -3.031 -1.207 10 HD1 PHE 3 HD1 PHE 3 6.238 -5.087 1.725 11 HD2 PHE 3 HD2 PHE 3 3.586 -2.142 0.171 12 HE1 PHE 3 HE1 PHE 3 5.186 -4.870 3.939 13 HE2 PHE 3 HE2 PHE 3 2.531 -1.920 2.383 14 HZ PHE 3 HZ PHE 3 3.331 -3.284 4.271 15 H SER 4 H SER 4 4.331 -6.516 0.639 16 HA SER 4 HA SER 4 1.630 -6.128 -0.403 17 HB2 SER 4 2HB SER 4 2.601 -8.898 0.302 18 HB3 SER 4 3HB SER 4 1.099 -8.443 -0.502 19 HG SER 4 HG SER 4 2.204 -8.813 -2.252 20 H SER 5 H SER 5 0.288 -5.633 1.195 21 HA SER 5 HA SER 5 1.043 -5.400 3.854 22 HB2 SER 5 2HB SER 5 -1.781 -5.771 2.826 23 HB3 SER 5 3HB SER 5 -1.308 -5.016 4.348 24 HG SER 5 HG SER 5 -1.273 -4.003 1.781 25 H GLU 6 H GLU 6 -0.179 -8.145 2.121 26 HA GLU 6 HA GLU 6 -1.018 -9.664 4.375 27 HB2 GLU 6 2HB GLU 6 -1.019 -11.573 2.825 28 HB3 GLU 6 3HB GLU 6 -1.837 -10.176 2.141 29 HG2 GLU 6 2HG GLU 6 0.041 -9.679 0.744 30 HG3 GLU 6 3HG GLU 6 1.010 -10.925 1.528 31 H GLN 7 H GLN 7 2.033 -9.192 2.745 32 HA GLN 7 HA GLN 7 3.399 -11.414 3.844 33 HB2 GLN 7 2HB GLN 7 4.065 -9.053 2.269 34 HB3 GLN 7 3HB GLN 7 5.332 -9.473 3.415 35 HG2 GLN 7 2HG GLN 7 4.125 -11.497 1.560 36 HG3 GLN 7 3HG GLN 7 5.480 -10.474 1.088 37 HE21 GLN 7 1HE2 GLN 7 5.383 -13.355 1.353 38 HE22 GLN 7 2HE2 GLN 7 6.581 -13.781 2.522 39 H PHE 8 H PHE 8 3.330 -7.981 4.786 40 HA PHE 8 HA PHE 8 4.996 -8.189 7.017 41 HB2 PHE 8 2HB PHE 8 4.309 -6.044 6.002 42 HB3 PHE 8 3HB PHE 8 2.676 -6.290 6.611 43 HD1 PHE 8 HD1 PHE 8 6.063 -6.644 8.136 44 HD2 PHE 8 HD2 PHE 8 2.222 -4.818 8.306 45 HE1 PHE 8 HE1 PHE 8 6.687 -5.535 10.242 46 HE2 PHE 8 HE2 PHE 8 2.840 -3.706 10.412 47 HZ PHE 8 HZ PHE 8 5.076 -4.063 11.382 48 H THR 9 H THR 9 1.468 -8.465 6.772 49 HA THR 9 HA THR 9 1.022 -8.871 9.540 50 HB THR 9 HB THR 9 -0.792 -9.942 7.392 51 HG1 THR 9 HG1 THR 9 -1.593 -7.876 7.110 52 HG21 THR 9 3HG2 THR 9 -1.017 -9.159 10.242 53 HG22 THR 9 1HG2 THR 9 -1.827 -10.450 9.355 54 HG23 THR 9 2HG2 THR 9 -2.389 -8.785 9.199 55 H THR 10 H THR 10 1.069 -11.164 6.809 56 HA THR 10 HA THR 10 0.712 -13.496 8.298 57 HB THR 10 HB THR 10 2.231 -13.143 5.707 58 HG1 THR 10 HG1 THR 10 -0.485 -13.738 6.313 59 HG21 THR 10 3HG2 THR 10 1.759 -15.471 7.382 60 HG22 THR 10 1HG2 THR 10 2.820 -15.284 5.987 61 HG23 THR 10 2HG2 THR 10 1.116 -15.676 5.753 62 H LYS 11 H LYS 11 3.605 -11.633 7.615 63 HA LYS 11 HA LYS 11 5.428 -13.603 8.613 64 HB2 LYS 11 2HB LYS 11 5.671 -10.701 7.869 65 HB3 LYS 11 3HB LYS 11 7.002 -11.549 8.645 66 HG2 LYS 11 2HG LYS 11 5.698 -12.439 6.083 67 HG3 LYS 11 3HG LYS 11 7.158 -11.449 6.170 68 HD2 LYS 11 2HD LYS 11 8.282 -13.234 7.422 69 HD3 LYS 11 3HD LYS 11 6.823 -14.223 7.317 70 HE2 LYS 11 2HE LYS 11 7.112 -13.771 4.738 71 HE3 LYS 11 3HE LYS 11 8.791 -13.493 5.200 72 HZ1 LYS 11 3HZ LYS 11 8.198 -15.828 4.535 73 HZ2 LYS 11 1HZ LYS 11 7.311 -15.940 5.972 74 HZ3 LYS 11 2HZ LYS 11 8.980 -15.672 6.027 75 H LEU 12 H LEU 12 3.747 -10.825 9.948 76 HA LEU 12 HA LEU 12 5.190 -10.721 12.393 77 HB2 LEU 12 2HB LEU 12 2.575 -9.621 11.443 78 HB3 LEU 12 3HB LEU 12 3.026 -9.501 13.143 79 HG LEU 12 HG LEU 12 4.923 -8.495 11.073 80 HD11 LEU 12 1HD1 LEU 12 3.435 -7.063 10.251 81 HD12 LEU 12 2HD1 LEU 12 3.437 -6.285 11.834 82 HD13 LEU 12 3HD1 LEU 12 2.228 -7.512 11.457 83 HD21 LEU 12 3HD2 LEU 12 4.404 -8.174 13.960 84 HD22 LEU 12 1HD2 LEU 12 4.920 -6.726 13.095 85 HD23 LEU 12 2HD2 LEU 12 5.927 -8.174 13.070 86 H ASN 13 H ASN 13 2.318 -12.435 11.319 87 HA ASN 13 HA ASN 13 1.683 -13.414 13.955 88 HB2 ASN 13 2HB ASN 13 0.602 -14.450 11.334 89 HB3 ASN 13 3HB ASN 13 -0.145 -14.549 12.926 90 HD21 ASN 13 1HD2 ASN 13 -1.216 -13.457 10.467 91 HD22 ASN 13 2HD2 ASN 13 -1.599 -11.804 10.794 92 H THR 14 H THR 14 4.084 -14.137 11.854 93 HA THR 14 HA THR 14 4.146 -16.976 12.646 94 HB THR 14 HB THR 14 5.663 -17.330 10.700 95 HG1 THR 14 HG1 THR 14 6.468 -15.466 10.021 96 HG21 THR 14 3HG2 THR 14 3.728 -16.686 8.969 97 HG22 THR 14 1HG2 THR 14 2.826 -16.500 10.472 98 HG23 THR 14 2HG2 THR 14 3.589 -18.043 10.087 99 H LEU 15 H LEU 15 5.790 -13.938 12.690 100 HA LEU 15 HA LEU 15 8.412 -14.789 13.210 101 HB2 LEU 15 2HB LEU 15 8.886 -12.605 13.619 102 HB3 LEU 15 3HB LEU 15 7.358 -12.416 12.761 103 HG LEU 15 HG LEU 15 6.397 -12.485 15.237 104 HD11 LEU 15 1HD1 LEU 15 8.045 -11.042 16.597 105 HD12 LEU 15 2HD1 LEU 15 9.274 -11.709 15.522 106 HD13 LEU 15 3HD1 LEU 15 8.302 -12.786 16.526 107 HD21 LEU 15 3HD2 LEU 15 7.042 -10.482 13.325 108 HD22 LEU 15 1HD2 LEU 15 7.372 -9.842 14.936 109 HD23 LEU 15 2HD2 LEU 15 5.771 -10.473 14.549 110 H GLU 16 H GLU 16 9.520 -15.256 15.072 111 HA GLU 16 HA GLU 16 7.871 -15.653 17.482 112 HB2 GLU 16 2HB GLU 16 10.348 -17.194 16.690 113 HB3 GLU 16 3HB GLU 16 9.305 -17.518 18.068 114 HG2 GLU 16 2HG GLU 16 7.523 -18.214 16.663 115 HG3 GLU 16 3HG GLU 16 8.359 -17.644 15.219 116 H ASP 17 H ASP 17 9.404 -15.857 19.495 117 HA ASP 17 HA ASP 17 10.774 -13.322 19.687 118 HB2 ASP 17 2HB ASP 17 11.059 -13.976 22.090 119 HB3 ASP 17 3HB ASP 17 9.385 -13.954 21.544 120 H SER 18 H SER 18 12.568 -13.659 18.312 121 HA SER 18 HA SER 18 14.755 -15.085 19.620 122 HB2 SER 18 2HB SER 18 14.645 -15.416 16.673 123 HB3 SER 18 3HB SER 18 15.226 -16.527 17.913 124 HG SER 18 HG SER 18 12.505 -15.956 17.332 125 H GLN 19 H GLN 19 16.724 -14.126 19.372 126 HA GLN 19 HA GLN 19 16.907 -11.438 18.781 127 HB2 GLN 19 2HB GLN 19 18.575 -12.917 20.023 128 HB3 GLN 19 3HB GLN 19 19.213 -13.347 18.441 129 HG2 GLN 19 2HG GLN 19 20.541 -11.596 19.427 130 HG3 GLN 19 3HG GLN 19 19.697 -10.987 18.004 131 HE21 GLN 19 1HE2 GLN 19 18.399 -9.269 18.203 132 HE22 GLN 19 2HE2 GLN 19 18.017 -8.486 19.695 133 H GLU 20 H GLU 20 17.676 -14.198 16.686 134 HA GLU 20 HA GLU 20 18.440 -12.562 14.469 135 HB2 GLU 20 2HB GLU 20 17.793 -15.497 14.724 136 HB3 GLU 20 3HB GLU 20 18.254 -14.754 13.199 137 HG2 GLU 20 2HG GLU 20 20.293 -15.462 13.859 138 HG3 GLU 20 3HG GLU 20 20.287 -13.897 14.670 139 H SER 21 H SER 21 15.474 -14.071 15.553 140 HA SER 21 HA SER 21 13.980 -13.912 13.195 141 HB2 SER 21 2HB SER 21 13.195 -15.171 15.130 142 HB3 SER 21 3HB SER 21 13.051 -13.685 16.068 143 HG SER 21 HG SER 21 11.039 -14.072 15.305 144 H ILE 22 H ILE 22 14.231 -11.586 15.877 145 HA ILE 22 HA ILE 22 12.522 -9.637 14.858 146 HB ILE 22 HB ILE 22 14.997 -9.189 16.531 147 HG12 ILE 22 2HG1 ILE 22 13.455 -10.813 17.545 148 HG13 ILE 22 3HG1 ILE 22 13.477 -9.305 18.452 149 HG21 ILE 22 1HG2 ILE 22 14.489 -7.045 16.060 150 HG22 ILE 22 2HG2 ILE 22 12.837 -7.430 15.583 151 HG23 ILE 22 3HG2 ILE 22 13.249 -7.282 17.291 152 HD11 ILE 22 3HD1 ILE 22 11.289 -9.117 18.237 153 HD12 ILE 22 1HD1 ILE 22 11.424 -9.176 16.480 154 HD13 ILE 22 2HD1 ILE 22 11.260 -10.670 17.403 155 H SER 23 H SER 23 15.932 -10.243 14.223 156 HA SER 23 HA SER 23 16.324 -7.854 12.695 157 HB2 SER 23 2HB SER 23 18.071 -9.409 13.912 158 HB3 SER 23 3HB SER 23 18.077 -10.260 12.367 159 HG SER 23 HG SER 23 19.478 -8.768 11.861 160 H SER 24 H SER 24 15.416 -11.163 11.990 161 HA SER 24 HA SER 24 15.837 -11.223 9.241 162 HB2 SER 24 2HB SER 24 15.234 -13.307 9.945 163 HB3 SER 24 3HB SER 24 14.105 -12.688 11.150 164 HG SER 24 HG SER 24 13.216 -13.804 9.215 165 H ALA 25 H ALA 25 12.915 -10.254 11.026 166 HA ALA 25 HA ALA 25 11.503 -9.467 8.669 167 HB1 ALA 25 1HB ALA 25 10.301 -10.202 10.645 168 HB2 ALA 25 2HB ALA 25 10.954 -8.850 11.570 169 HB3 ALA 25 3HB ALA 25 9.846 -8.549 10.232 170 H SER 26 H SER 26 13.403 -7.789 11.122 171 HA SER 26 HA SER 26 12.783 -5.158 10.497 172 HB2 SER 26 2HB SER 26 14.745 -4.538 11.664 173 HB3 SER 26 3HB SER 26 14.242 -6.057 12.406 174 HG SER 26 HG SER 26 16.350 -5.592 10.584 175 H LYS 27 H LYS 27 15.265 -7.264 9.087 176 HA LYS 27 HA LYS 27 16.454 -5.419 7.374 177 HB2 LYS 27 2HB LYS 27 16.067 -8.400 7.093 178 HB3 LYS 27 3HB LYS 27 17.047 -7.447 5.986 179 HG2 LYS 27 2HG LYS 27 18.713 -7.133 7.505 180 HG3 LYS 27 3HG LYS 27 17.621 -7.222 8.888 181 HD2 LYS 27 2HD LYS 27 18.810 -9.207 9.052 182 HD3 LYS 27 3HD LYS 27 17.346 -9.705 8.199 183 HE2 LYS 27 2HE LYS 27 18.990 -10.707 6.931 184 HE3 LYS 27 3HE LYS 27 18.748 -9.190 6.065 185 HZ1 LYS 27 3HZ LYS 27 20.952 -9.894 7.912 186 HZ2 LYS 27 1HZ LYS 27 20.643 -8.302 7.433 187 HZ3 LYS 27 2HZ LYS 27 21.058 -9.467 6.279 188 H TRP 28 H TRP 28 13.483 -7.243 7.046 189 HA TRP 28 HA TRP 28 13.099 -6.652 4.274 190 HB2 TRP 28 2HB TRP 28 12.073 -8.614 5.395 191 HB3 TRP 28 3HB TRP 28 11.063 -7.520 6.337 192 HD1 TRP 28 HD1 TRP 28 11.752 -8.012 2.534 193 HE1 TRP 28 HE1 TRP 28 9.492 -7.886 1.309 194 HE3 TRP 28 HE3 TRP 28 8.698 -7.173 6.547 195 HZ2 TRP 28 HZ2 TRP 28 6.774 -7.484 1.957 196 HZ3 TRP 28 HZ3 TRP 28 6.280 -6.929 6.159 197 HH2 TRP 28 HH2 TRP 28 5.340 -7.081 3.911 198 H LEU 29 H LEU 29 11.720 -5.373 7.292 199 HA LEU 29 HA LEU 29 10.066 -3.445 6.063 200 HB2 LEU 29 2HB LEU 29 11.216 -3.703 8.825 201 HB3 LEU 29 3HB LEU 29 10.192 -2.345 8.365 202 HG LEU 29 HG LEU 29 9.090 -5.032 7.832 203 HD11 LEU 29 1HD1 LEU 29 10.327 -4.982 10.148 204 HD12 LEU 29 2HD1 LEU 29 8.722 -5.694 9.991 205 HD13 LEU 29 3HD1 LEU 29 8.903 -4.065 10.641 206 HD21 LEU 29 3HD2 LEU 29 8.148 -2.457 7.839 207 HD22 LEU 29 1HD2 LEU 29 7.564 -3.086 9.380 208 HD23 LEU 29 2HD2 LEU 29 7.155 -3.915 7.878 209 H LEU 30 H LEU 30 13.427 -3.433 7.030 210 HA LEU 30 HA LEU 30 13.923 -0.684 7.004 211 HB2 LEU 30 2HB LEU 30 15.416 -3.023 7.282 212 HB3 LEU 30 3HB LEU 30 16.123 -2.194 5.896 213 HG LEU 30 HG LEU 30 17.359 -1.552 7.820 214 HD11 LEU 30 1HD1 LEU 30 15.454 0.718 7.298 215 HD12 LEU 30 2HD1 LEU 30 16.713 0.223 6.167 216 HD13 LEU 30 3HD1 LEU 30 17.151 0.811 7.771 217 HD21 LEU 30 3HD2 LEU 30 14.789 -0.670 9.121 218 HD22 LEU 30 1HD2 LEU 30 16.404 -0.685 9.829 219 HD23 LEU 30 2HD2 LEU 30 15.590 -2.205 9.459 220 H LEU 31 H LEU 31 13.489 -2.950 4.403 221 HA LEU 31 HA LEU 31 14.389 -0.995 2.423 222 HB2 LEU 31 2HB LEU 31 13.407 -3.812 2.000 223 HB3 LEU 31 3HB LEU 31 14.195 -2.779 0.809 224 HG LEU 31 HG LEU 31 15.461 -3.993 3.264 225 HD11 LEU 31 1HD1 LEU 31 15.632 -4.563 0.323 226 HD12 LEU 31 2HD1 LEU 31 15.280 -5.674 1.647 227 HD13 LEU 31 3HD1 LEU 31 16.911 -5.036 1.442 228 HD21 LEU 31 3HD2 LEU 31 16.359 -1.869 1.383 229 HD22 LEU 31 1HD2 LEU 31 17.545 -3.036 1.968 230 HD23 LEU 31 2HD2 LEU 31 16.646 -2.043 3.115 231 H GLN 32 H GLN 32 11.789 -1.055 4.106 232 HA GLN 32 HA GLN 32 9.961 -0.653 1.830 233 HB2 GLN 32 2HB GLN 32 9.235 -1.533 4.630 234 HB3 GLN 32 3HB GLN 32 8.109 -1.284 3.302 235 HG2 GLN 32 2HG GLN 32 10.347 -3.219 2.968 236 HG3 GLN 32 3HG GLN 32 8.938 -3.678 3.922 237 HE21 GLN 32 1HE2 GLN 32 9.374 -5.173 1.808 238 HE22 GLN 32 2HE2 GLN 32 8.280 -4.814 0.521 239 H TYR 33 H TYR 33 11.743 1.303 2.982 240 HA TYR 33 HA TYR 33 10.525 3.007 4.823 241 HB2 TYR 33 2HB TYR 33 11.971 4.792 3.735 242 HB3 TYR 33 3HB TYR 33 12.817 3.369 4.331 243 HD1 TYR 33 HD2 TYR 33 11.398 4.862 1.232 244 HD2 TYR 33 HD1 TYR 33 14.216 2.152 2.910 245 HE1 TYR 33 HE2 TYR 33 12.397 4.535 -0.991 246 HE2 TYR 33 HE1 TYR 33 15.224 1.818 0.691 247 HH TYR 33 HH TYR 33 15.385 3.081 -1.466 248 H ARG 34 H ARG 34 9.874 2.479 1.471 249 HA ARG 34 HA ARG 34 8.586 4.928 0.883 250 HB2 ARG 34 2HB ARG 34 8.199 2.192 -0.345 251 HB3 ARG 34 3HB ARG 34 7.594 3.698 -1.021 252 HG2 ARG 34 2HG ARG 34 10.134 4.388 -0.865 253 HG3 ARG 34 3HG ARG 34 10.364 2.639 -0.917 254 HD2 ARG 34 2HD ARG 34 8.517 3.883 -2.889 255 HD3 ARG 34 3HD ARG 34 10.252 4.093 -3.122 256 HE ARG 34 HE ARG 34 9.705 1.378 -2.647 257 HH11 ARG 34 1HH1 ARG 34 9.247 3.830 -5.076 258 HH12 ARG 34 2HH1 ARG 34 9.245 2.707 -6.396 259 HH21 ARG 34 1HH2 ARG 34 9.704 -0.110 -4.376 260 HH22 ARG 34 2HH2 ARG 34 9.505 0.466 -5.996 261 H ASP 35 H ASP 35 7.591 2.078 2.574 262 HA ASP 35 HA ASP 35 4.787 2.937 2.538 263 HB2 ASP 35 2HB ASP 35 5.740 0.422 3.864 264 HB3 ASP 35 3HB ASP 35 4.180 0.767 3.121 265 H ALA 36 H ALA 36 6.454 4.604 3.953 266 HA ALA 36 HA ALA 36 6.857 4.065 6.645 267 HB1 ALA 36 1HB ALA 36 6.249 6.735 6.646 268 HB2 ALA 36 2HB ALA 36 7.829 6.044 6.273 269 HB3 ALA 36 3HB ALA 36 6.715 6.451 4.968 270 HA PRO 37 HA PRO 37 2.514 5.920 7.637 271 HB2 PRO 37 2HB PRO 37 0.856 6.429 5.549 272 HB3 PRO 37 3HB PRO 37 2.003 7.618 6.177 273 HG2 PRO 37 2HG PRO 37 2.250 5.821 3.795 274 HG3 PRO 37 3HG PRO 37 2.682 7.533 3.954 275 HD2 PRO 37 2HD PRO 37 4.520 5.550 4.083 276 HD3 PRO 37 3HD PRO 37 4.682 7.062 4.998 277 H LYS 38 H LYS 38 2.681 3.796 4.820 278 HA LYS 38 HA LYS 38 0.256 2.425 5.251 279 HB2 LYS 38 2HB LYS 38 2.697 2.008 3.632 280 HB3 LYS 38 3HB LYS 38 1.765 0.561 3.996 281 HG2 LYS 38 2HG LYS 38 0.451 3.006 2.873 282 HG3 LYS 38 3HG LYS 38 1.256 1.832 1.830 283 HD2 LYS 38 2HD LYS 38 -0.662 0.788 3.838 284 HD3 LYS 38 3HD LYS 38 -1.328 1.657 2.454 285 HE2 LYS 38 2HE LYS 38 -0.309 0.144 0.919 286 HE3 LYS 38 3HE LYS 38 0.637 -0.611 2.201 287 HZ1 LYS 38 3HZ LYS 38 -2.034 -1.164 1.358 288 HZ2 LYS 38 1HZ LYS 38 -1.955 -0.871 3.022 289 HZ3 LYS 38 2HZ LYS 38 -1.002 -2.085 2.331 290 H VAL 39 H VAL 39 3.600 1.473 6.047 291 HA VAL 39 HA VAL 39 2.927 -0.869 7.441 292 HB VAL 39 HB VAL 39 5.345 0.908 7.800 293 HG11 VAL 39 1HG1 VAL 39 6.405 -1.172 8.677 294 HG12 VAL 39 2HG1 VAL 39 5.135 -0.518 9.713 295 HG13 VAL 39 3HG1 VAL 39 4.808 -1.920 8.693 296 HG21 VAL 39 3HG2 VAL 39 4.611 -0.426 5.547 297 HG22 VAL 39 1HG2 VAL 39 6.276 -0.058 5.998 298 HG23 VAL 39 2HG2 VAL 39 5.592 -1.641 6.367 299 H ALA 40 H ALA 40 3.243 2.477 8.494 300 HA ALA 40 HA ALA 40 3.146 2.031 11.268 301 HB1 ALA 40 1HB ALA 40 2.483 4.391 11.432 302 HB2 ALA 40 2HB ALA 40 3.848 4.158 10.340 303 HB3 ALA 40 3HB ALA 40 2.233 4.430 9.686 304 H GLU 41 H GLU 41 0.530 3.007 9.044 305 HA GLU 41 HA GLU 41 -1.533 2.803 10.949 306 HB2 GLU 41 2HB GLU 41 -1.803 4.072 8.884 307 HB3 GLU 41 3HB GLU 41 -1.654 2.599 7.936 308 HG2 GLU 41 2HG GLU 41 -3.940 3.039 7.992 309 HG3 GLU 41 3HG GLU 41 -3.703 1.772 9.195 310 H MET 42 H MET 42 -0.183 0.485 8.661 311 HA MET 42 HA MET 42 -2.118 -1.537 9.026 312 HB2 MET 42 2HB MET 42 -0.815 -1.850 7.134 313 HB3 MET 42 3HB MET 42 0.681 -1.462 7.973 314 HG2 MET 42 2HG MET 42 0.542 -3.825 7.367 315 HG3 MET 42 3HG MET 42 0.641 -3.588 9.110 316 HE1 MET 42 3HE MET 42 -0.705 -5.207 10.564 317 HE2 MET 42 1HE MET 42 -1.694 -6.418 9.748 318 HE3 MET 42 2HE MET 42 -0.030 -6.146 9.231 319 H TRP 43 H TRP 43 1.107 -1.102 10.474 320 HA TRP 43 HA TRP 43 0.992 -3.347 12.160 321 HB2 TRP 43 2HB TRP 43 3.082 -2.149 11.626 322 HB3 TRP 43 3HB TRP 43 2.522 -0.767 12.564 323 HD1 TRP 43 HD1 TRP 43 3.792 -4.362 13.006 324 HE1 TRP 43 HE1 TRP 43 4.575 -4.657 15.440 325 HE3 TRP 43 HE3 TRP 43 2.222 0.115 14.911 326 HZ2 TRP 43 HZ2 TRP 43 4.531 -3.187 17.849 327 HZ3 TRP 43 HZ3 TRP 43 2.630 0.592 17.290 328 HH2 TRP 43 HH2 TRP 43 3.761 -1.026 18.727 329 H LYS 44 H LYS 44 0.280 0.077 12.820 330 HA LYS 44 HA LYS 44 -0.415 -0.193 15.508 331 HB2 LYS 44 2HB LYS 44 -0.051 1.975 14.409 332 HB3 LYS 44 3HB LYS 44 -1.522 1.750 13.472 333 HG2 LYS 44 2HG LYS 44 -2.498 1.461 15.967 334 HG3 LYS 44 3HG LYS 44 -1.166 2.579 16.270 335 HD2 LYS 44 2HD LYS 44 -3.006 3.961 15.818 336 HD3 LYS 44 3HD LYS 44 -2.092 3.933 14.308 337 HE2 LYS 44 2HE LYS 44 -3.624 2.489 13.279 338 HE3 LYS 44 3HE LYS 44 -4.344 2.015 14.816 339 HZ1 LYS 44 3HZ LYS 44 -5.876 3.473 13.886 340 HZ2 LYS 44 1HZ LYS 44 -4.689 4.541 13.325 341 HZ3 LYS 44 2HZ LYS 44 -5.031 4.451 14.978 342 H GLU 45 H GLU 45 -2.560 -0.158 12.659 343 HA GLU 45 HA GLU 45 -4.968 -0.588 13.947 344 HB2 GLU 45 2HB GLU 45 -3.952 -1.290 11.218 345 HB3 GLU 45 3HB GLU 45 -5.541 -1.848 11.723 346 HG2 GLU 45 2HG GLU 45 -4.776 1.036 11.937 347 HG3 GLU 45 3HG GLU 45 -5.366 0.353 10.423 348 H TYR 46 H TYR 46 -2.691 -3.016 12.700 349 HA TYR 46 HA TYR 46 -4.183 -5.275 13.461 350 HB2 TYR 46 2HB TYR 46 -2.456 -5.629 11.889 351 HB3 TYR 46 3HB TYR 46 -1.254 -4.842 12.906 352 HD1 TYR 46 HD2 TYR 46 -0.239 -6.027 14.777 353 HD2 TYR 46 HD1 TYR 46 -3.110 -7.930 12.281 354 HE1 TYR 46 HE2 TYR 46 0.426 -8.212 15.688 355 HE2 TYR 46 HE1 TYR 46 -2.454 -10.121 13.186 356 HH TYR 46 HH TYR 46 0.084 -10.903 14.451 357 H MET 47 H MET 47 -1.765 -3.356 15.166 358 HA MET 47 HA MET 47 -1.578 -5.096 17.417 359 HB2 MET 47 2HB MET 47 -0.822 -2.194 17.052 360 HB3 MET 47 3HB MET 47 -0.470 -3.123 18.503 361 HG2 MET 47 2HG MET 47 0.437 -4.126 15.846 362 HG3 MET 47 3HG MET 47 1.333 -2.845 16.658 363 HE1 MET 47 3HE MET 47 3.027 -4.148 19.482 364 HE2 MET 47 1HE MET 47 1.925 -2.872 18.964 365 HE3 MET 47 2HE MET 47 1.360 -4.132 20.061 366 H LEU 48 H LEU 48 -3.795 -2.651 16.439 367 HA LEU 48 HA LEU 48 -4.909 -2.431 19.140 368 HB2 LEU 48 2HB LEU 48 -5.507 -0.896 16.616 369 HB3 LEU 48 3HB LEU 48 -6.303 -0.630 18.165 370 HG LEU 48 HG LEU 48 -3.360 -0.226 17.635 371 HD11 LEU 48 1HD1 LEU 48 -5.105 1.349 16.541 372 HD12 LEU 48 2HD1 LEU 48 -3.739 2.041 17.414 373 HD13 LEU 48 3HD1 LEU 48 -5.325 1.958 18.181 374 HD21 LEU 48 3HD2 LEU 48 -3.141 -0.191 19.841 375 HD22 LEU 48 1HD2 LEU 48 -4.867 -0.495 20.046 376 HD23 LEU 48 2HD2 LEU 48 -4.273 1.161 19.914 377 H ARG 49 H ARG 49 -5.160 -4.861 17.553 378 HA ARG 49 HA ARG 49 -8.062 -4.891 17.061 379 HB2 ARG 49 2HB ARG 49 -5.770 -6.243 15.784 380 HB3 ARG 49 3HB ARG 49 -7.189 -7.252 16.039 381 HG2 ARG 49 2HG ARG 49 -8.556 -5.763 14.754 382 HG3 ARG 49 3HG ARG 49 -7.241 -4.593 14.632 383 HD2 ARG 49 2HD ARG 49 -6.077 -5.856 13.102 384 HD3 ARG 49 3HD ARG 49 -6.800 -7.370 13.646 385 HE ARG 49 HE ARG 49 -8.892 -6.022 12.578 386 HH11 ARG 49 1HH1 ARG 49 -5.722 -6.861 11.410 387 HH12 ARG 49 2HH1 ARG 49 -6.215 -6.959 9.752 388 HH21 ARG 49 1HH2 ARG 49 -9.555 -6.149 10.399 389 HH22 ARG 49 2HH2 ARG 49 -8.396 -6.553 9.178 390 HA PRO 50 HA PRO 50 -8.669 -7.438 20.594 391 HB2 PRO 50 2HB PRO 50 -10.944 -8.717 19.844 392 HB3 PRO 50 3HB PRO 50 -10.913 -7.018 20.331 393 HG2 PRO 50 2HG PRO 50 -10.946 -8.201 17.581 394 HG3 PRO 50 3HG PRO 50 -11.856 -6.817 18.215 395 HD2 PRO 50 2HD PRO 50 -9.622 -6.527 16.713 396 HD3 PRO 50 3HD PRO 50 -10.068 -5.379 17.991 397 H SER 51 H SER 51 -9.141 -9.084 17.466 398 HA SER 51 HA SER 51 -8.903 -11.703 18.260 399 HB2 SER 51 2HB SER 51 -9.456 -11.316 15.996 400 HB3 SER 51 3HB SER 51 -8.028 -10.316 15.731 401 HG SER 51 HG SER 51 -6.898 -12.049 15.348 402 H VAL 52 H VAL 52 -6.368 -9.321 17.813 403 HA VAL 52 HA VAL 52 -4.157 -11.067 17.901 404 HB VAL 52 HB VAL 52 -4.204 -8.213 18.884 405 HG11 VAL 52 1HG1 VAL 52 -1.820 -8.498 17.731 406 HG12 VAL 52 2HG1 VAL 52 -2.107 -8.905 19.425 407 HG13 VAL 52 3HG1 VAL 52 -2.090 -10.176 18.202 408 HG21 VAL 52 3HG2 VAL 52 -4.720 -7.576 16.818 409 HG22 VAL 52 1HG2 VAL 52 -3.220 -8.317 16.258 410 HG23 VAL 52 2HG2 VAL 52 -4.718 -9.248 16.256 411 H ASN 53 H ASN 53 -2.798 -11.672 19.586 412 HA ASN 53 HA ASN 53 -4.055 -11.609 22.237 413 HB2 ASN 53 2HB ASN 53 -2.366 -13.554 20.785 414 HB3 ASN 53 3HB ASN 53 -2.029 -13.391 22.506 415 HD21 ASN 53 1HD2 ASN 53 -4.654 -13.907 20.202 416 HD22 ASN 53 2HD2 ASN 53 -5.609 -14.902 21.243 417 H THR 54 H THR 54 -2.383 -11.706 24.084 418 HA THR 54 HA THR 54 -0.991 -9.271 24.144 419 HB THR 54 HB THR 54 0.030 -11.254 26.034 420 HG1 THR 54 HG1 THR 54 -1.811 -12.178 26.481 421 HG21 THR 54 3HG2 THR 54 -1.633 -8.799 26.559 422 HG22 THR 54 1HG2 THR 54 0.089 -8.721 26.190 423 HG23 THR 54 2HG2 THR 54 -0.467 -9.575 27.630 424 H ARG 55 H ARG 55 0.220 -12.607 23.861 425 HA ARG 55 HA ARG 55 2.937 -12.065 23.787 426 HB2 ARG 55 2HB ARG 55 1.203 -14.255 22.784 427 HB3 ARG 55 3HB ARG 55 2.831 -14.168 22.125 428 HG2 ARG 55 2HG ARG 55 3.614 -14.067 24.556 429 HG3 ARG 55 3HG ARG 55 1.981 -14.598 24.964 430 HD2 ARG 55 2HD ARG 55 2.267 -16.571 23.552 431 HD3 ARG 55 3HD ARG 55 3.892 -16.035 23.125 432 HE ARG 55 HE ARG 55 3.501 -16.311 25.952 433 HH11 ARG 55 1HH1 ARG 55 4.282 -17.999 23.009 434 HH12 ARG 55 2HH1 ARG 55 5.148 -19.266 23.812 435 HH21 ARG 55 1HH2 ARG 55 4.638 -17.975 27.021 436 HH22 ARG 55 2HH2 ARG 55 5.349 -19.252 26.094 437 H ARG 56 H ARG 56 0.630 -12.202 21.088 438 HA ARG 56 HA ARG 56 2.377 -11.780 18.984 439 HB2 ARG 56 2HB ARG 56 -0.373 -10.550 19.132 440 HB3 ARG 56 3HB ARG 56 0.495 -11.087 17.700 441 HG2 ARG 56 2HG ARG 56 -0.785 -12.764 19.834 442 HG3 ARG 56 3HG ARG 56 -1.158 -12.707 18.111 443 HD2 ARG 56 2HD ARG 56 1.256 -13.884 19.461 444 HD3 ARG 56 3HD ARG 56 0.064 -14.699 18.449 445 HE ARG 56 HE ARG 56 1.229 -12.761 16.864 446 HH11 ARG 56 1HH1 ARG 56 2.262 -15.583 18.622 447 HH12 ARG 56 2HH1 ARG 56 3.568 -15.940 17.540 448 HH21 ARG 56 1HH2 ARG 56 2.944 -13.220 15.432 449 HH22 ARG 56 2HH2 ARG 56 3.955 -14.594 15.726 450 H LYS 57 H LYS 57 0.658 -9.345 20.927 451 HA LYS 57 HA LYS 57 1.657 -7.080 19.622 452 HB2 LYS 57 2HB LYS 57 0.881 -7.354 22.532 453 HB3 LYS 57 3HB LYS 57 1.015 -5.845 21.638 454 HG2 LYS 57 2HG LYS 57 -0.735 -7.140 20.072 455 HG3 LYS 57 3HG LYS 57 -1.123 -7.873 21.630 456 HD2 LYS 57 2HD LYS 57 -1.219 -5.488 22.535 457 HD3 LYS 57 3HD LYS 57 -1.228 -4.972 20.847 458 HE2 LYS 57 2HE LYS 57 -3.468 -5.124 21.131 459 HE3 LYS 57 3HE LYS 57 -3.163 -6.818 20.746 460 HZ1 LYS 57 3HZ LYS 57 -3.892 -7.402 22.739 461 HZ2 LYS 57 1HZ LYS 57 -4.311 -5.793 23.049 462 HZ3 LYS 57 2HZ LYS 57 -2.792 -6.375 23.510 463 H LEU 58 H LEU 58 2.888 -8.835 22.451 464 HA LEU 58 HA LEU 58 4.993 -7.185 23.145 465 HB2 LEU 58 2HB LEU 58 4.244 -9.169 24.412 466 HB3 LEU 58 3HB LEU 58 4.983 -10.200 23.188 467 HG LEU 58 HG LEU 58 6.251 -9.829 25.380 468 HD11 LEU 58 1HD1 LEU 58 8.224 -10.282 24.315 469 HD12 LEU 58 2HD1 LEU 58 7.949 -9.083 23.052 470 HD13 LEU 58 3HD1 LEU 58 7.081 -10.617 23.015 471 HD21 LEU 58 3HD2 LEU 58 7.245 -7.838 25.843 472 HD22 LEU 58 1HD2 LEU 58 5.820 -7.233 24.999 473 HD23 LEU 58 2HD2 LEU 58 7.358 -7.370 24.146 474 H LEU 59 H LEU 59 4.973 -9.838 20.781 475 HA LEU 59 HA LEU 59 7.683 -9.601 20.037 476 HB2 LEU 59 2HB LEU 59 5.283 -10.959 19.009 477 HB3 LEU 59 3HB LEU 59 6.525 -10.611 17.808 478 HG LEU 59 HG LEU 59 6.889 -12.240 20.323 479 HD11 LEU 59 1HD1 LEU 59 6.463 -12.932 17.445 480 HD12 LEU 59 2HD1 LEU 59 5.715 -13.620 18.886 481 HD13 LEU 59 3HD1 LEU 59 7.391 -14.002 18.496 482 HD21 LEU 59 3HD2 LEU 59 9.082 -12.019 20.072 483 HD22 LEU 59 1HD2 LEU 59 8.789 -10.814 18.818 484 HD23 LEU 59 2HD2 LEU 59 8.976 -12.512 18.381 485 H GLY 60 H GLY 60 4.713 -8.282 18.592 486 HA2 GLY 60 2HA GLY 60 5.810 -7.040 16.370 487 HA3 GLY 60 3HA GLY 60 4.386 -6.467 17.226 488 H LEU 61 H LEU 61 5.563 -5.810 19.683 489 HA LEU 61 HA LEU 61 6.431 -3.203 19.210 490 HB2 LEU 61 2HB LEU 61 5.669 -4.634 21.399 491 HB3 LEU 61 3HB LEU 61 7.390 -4.412 21.705 492 HG LEU 61 HG LEU 61 5.312 -2.258 21.340 493 HD11 LEU 61 1HD1 LEU 61 6.519 -3.596 23.628 494 HD12 LEU 61 2HD1 LEU 61 5.074 -2.591 23.533 495 HD13 LEU 61 3HD1 LEU 61 6.661 -1.839 23.693 496 HD21 LEU 61 3HD2 LEU 61 7.206 -0.709 21.843 497 HD22 LEU 61 1HD2 LEU 61 7.302 -1.491 20.265 498 HD23 LEU 61 2HD2 LEU 61 8.308 -2.064 21.595 499 H TYR 62 H TYR 62 8.305 -6.117 19.975 500 HA TYR 62 HA TYR 62 10.827 -4.837 20.021 501 HB2 TYR 62 2HB TYR 62 9.898 -7.673 19.813 502 HB3 TYR 62 3HB TYR 62 11.589 -7.303 19.496 503 HD1 TYR 62 HD2 TYR 62 12.328 -5.335 21.427 504 HD2 TYR 62 HD1 TYR 62 9.686 -8.637 21.897 505 HE1 TYR 62 HE2 TYR 62 12.787 -5.352 23.844 506 HE2 TYR 62 HE1 TYR 62 10.137 -8.663 24.314 507 HH TYR 62 HH TYR 62 11.402 -6.215 25.974 508 H LEU 63 H LEU 63 8.909 -6.284 17.464 509 HA LEU 63 HA LEU 63 10.925 -6.357 15.485 510 HB2 LEU 63 2HB LEU 63 8.913 -7.651 15.240 511 HB3 LEU 63 3HB LEU 63 7.925 -6.192 15.266 512 HG LEU 63 HG LEU 63 8.392 -7.404 13.016 513 HD11 LEU 63 1HD1 LEU 63 8.982 -4.561 12.644 514 HD12 LEU 63 2HD1 LEU 63 7.602 -4.889 13.691 515 HD13 LEU 63 3HD1 LEU 63 7.635 -5.532 12.049 516 HD21 LEU 63 3HD2 LEU 63 10.924 -7.287 13.560 517 HD22 LEU 63 1HD2 LEU 63 10.797 -5.626 12.981 518 HD23 LEU 63 2HD2 LEU 63 10.379 -6.966 11.913 519 H MET 64 H MET 64 8.251 -4.041 15.960 520 HA MET 64 HA MET 64 9.112 -2.223 13.994 521 HB2 MET 64 2HB MET 64 7.450 -0.771 14.794 522 HB3 MET 64 3HB MET 64 6.827 -2.377 15.145 523 HG2 MET 64 2HG MET 64 6.412 -1.456 17.152 524 HG3 MET 64 3HG MET 64 8.093 -1.895 17.447 525 HE1 MET 64 3HE MET 64 6.322 0.000 18.952 526 HE2 MET 64 1HE MET 64 7.929 0.419 19.546 527 HE3 MET 64 2HE MET 64 6.851 1.683 18.956 528 H ASN 65 H ASN 65 9.983 -2.646 17.349 529 HA ASN 65 HA ASN 65 11.221 -0.130 17.738 530 HB2 ASN 65 2HB ASN 65 10.541 -1.601 19.600 531 HB3 ASN 65 3HB ASN 65 11.780 -2.760 19.128 532 HD21 ASN 65 1HD2 ASN 65 13.123 -2.692 20.817 533 HD22 ASN 65 2HD2 ASN 65 13.931 -1.272 21.380 534 H HIS 66 H HIS 66 12.508 -3.316 16.837 535 HA HIS 66 HA HIS 66 15.205 -2.485 16.639 536 HB2 HIS 66 2HB HIS 66 14.233 -4.878 16.798 537 HB3 HIS 66 3HB HIS 66 14.048 -4.761 15.050 538 HD1 HIS 66 HD1 HIS 66 16.534 -5.380 17.693 539 HD2 HIS 66 HD2 HIS 66 16.533 -4.534 13.625 540 HE1 HIS 66 HE1 HIS 66 18.850 -5.940 16.889 541 H VAL 67 H VAL 67 12.529 -2.538 14.371 542 HA VAL 67 HA VAL 67 14.023 -2.065 12.018 543 HB VAL 67 HB VAL 67 11.149 -1.365 12.632 544 HG11 VAL 67 1HG1 VAL 67 11.062 -1.596 10.034 545 HG12 VAL 67 2HG1 VAL 67 11.586 -0.079 10.769 546 HG13 VAL 67 3HG1 VAL 67 12.780 -1.213 10.136 547 HG21 VAL 67 3HG2 VAL 67 12.376 -3.859 12.363 548 HG22 VAL 67 1HG2 VAL 67 10.648 -3.510 12.323 549 HG23 VAL 67 2HG2 VAL 67 11.571 -3.568 10.821 550 H VAL 68 H VAL 68 12.175 0.164 14.098 551 HA VAL 68 HA VAL 68 12.922 2.510 12.720 552 HB VAL 68 HB VAL 68 12.104 3.736 14.656 553 HG11 VAL 68 1HG1 VAL 68 9.971 1.914 14.856 554 HG12 VAL 68 2HG1 VAL 68 10.098 3.321 13.799 555 HG13 VAL 68 3HG1 VAL 68 10.630 1.738 13.231 556 HG21 VAL 68 3HG2 VAL 68 11.338 2.533 16.668 557 HG22 VAL 68 1HG2 VAL 68 12.033 1.047 16.021 558 HG23 VAL 68 2HG2 VAL 68 13.080 2.406 16.430 559 H GLN 69 H GLN 69 14.402 0.714 15.342 560 HA GLN 69 HA GLN 69 16.247 2.680 16.169 561 HB2 GLN 69 2HB GLN 69 15.925 -0.241 16.531 562 HB3 GLN 69 3HB GLN 69 17.548 0.394 16.768 563 HG2 GLN 69 2HG GLN 69 16.561 2.053 18.367 564 HG3 GLN 69 3HG GLN 69 15.043 1.164 18.238 565 HE21 GLN 69 1HE2 GLN 69 14.890 0.336 20.239 566 HE22 GLN 69 2HE2 GLN 69 16.041 -0.740 20.947 567 H GLN 70 H GLN 70 16.539 -0.005 13.860 568 HA GLN 70 HA GLN 70 19.230 0.647 13.148 569 HB2 GLN 70 2HB GLN 70 17.155 -1.209 12.016 570 HB3 GLN 70 3HB GLN 70 18.681 -0.941 11.185 571 HG2 GLN 70 2HG GLN 70 18.377 -1.967 13.998 572 HG3 GLN 70 3HG GLN 70 18.729 -2.946 12.575 573 HE21 GLN 70 1HE2 GLN 70 20.652 -1.928 11.270 574 HE22 GLN 70 2HE2 GLN 70 22.050 -1.583 12.223 575 H ALA 71 H ALA 71 16.063 1.514 11.970 576 HA ALA 71 HA ALA 71 16.599 2.404 9.417 577 HB1 ALA 71 1HB ALA 71 14.434 2.853 9.597 578 HB2 ALA 71 2HB ALA 71 14.524 2.776 11.357 579 HB3 ALA 71 3HB ALA 71 14.845 4.297 10.524 580 H LYS 72 H LYS 72 17.449 3.860 12.470 581 HA LYS 72 HA LYS 72 17.985 6.474 11.636 582 HB2 LYS 72 2HB LYS 72 18.814 4.753 13.903 583 HB3 LYS 72 3HB LYS 72 19.831 6.149 13.573 584 HG2 LYS 72 2HG LYS 72 17.397 7.302 13.496 585 HG3 LYS 72 3HG LYS 72 17.102 6.006 14.657 586 HD2 LYS 72 2HD LYS 72 19.398 7.952 14.844 587 HD3 LYS 72 3HD LYS 72 17.856 8.161 15.678 588 HE2 LYS 72 2HE LYS 72 18.266 6.460 17.148 589 HE3 LYS 72 3HE LYS 72 19.282 5.576 16.011 590 HZ1 LYS 72 3HZ LYS 72 20.112 8.112 17.305 591 HZ2 LYS 72 1HZ LYS 72 21.079 7.042 16.420 592 HZ3 LYS 72 2HZ LYS 72 20.479 6.584 17.933 593 H GLY 73 H GLY 73 19.964 3.554 11.514 594 HA2 GLY 73 2HA GLY 73 22.322 4.922 10.616 595 HA3 GLY 73 3HA GLY 73 22.070 3.183 10.640 596 H GLN 74 H GLN 74 19.518 3.608 9.070 597 HA GLN 74 HA GLN 74 20.809 3.602 6.454 598 HB2 GLN 74 2HB GLN 74 18.264 2.534 7.564 599 HB3 GLN 74 3HB GLN 74 18.287 2.962 5.858 600 HG2 GLN 74 2HG GLN 74 18.786 0.610 6.179 601 HG3 GLN 74 3HG GLN 74 20.168 1.464 5.493 602 HE21 GLN 74 1HE2 GLN 74 18.875 0.831 8.741 603 HE22 GLN 74 2HE2 GLN 74 20.375 0.308 9.420 604 H LYS 75 H LYS 75 19.954 6.009 8.220 605 HA LYS 75 HA LYS 75 19.165 8.121 7.908 606 HB2 LYS 75 2HB LYS 75 19.877 7.273 5.118 607 HB3 LYS 75 3HB LYS 75 19.139 8.843 5.405 608 HG2 LYS 75 2HG LYS 75 21.317 9.451 5.518 609 HG3 LYS 75 3HG LYS 75 21.076 9.003 7.209 610 HD2 LYS 75 2HD LYS 75 22.991 7.834 6.758 611 HD3 LYS 75 3HD LYS 75 21.786 6.622 6.320 612 HE2 LYS 75 2HE LYS 75 21.950 7.632 3.956 613 HE3 LYS 75 3HE LYS 75 23.446 8.365 4.532 614 HZ1 LYS 75 3HZ LYS 75 23.152 5.838 3.513 615 HZ2 LYS 75 1HZ LYS 75 23.322 5.595 5.178 616 HZ3 LYS 75 2HZ LYS 75 24.508 6.443 4.323 617 H ILE 76 H ILE 76 17.148 6.513 8.495 618 HA ILE 76 HA ILE 76 15.022 7.207 6.575 619 HB ILE 76 HB ILE 76 14.794 4.998 8.601 620 HG12 ILE 76 2HG1 ILE 76 16.744 4.486 7.216 621 HG13 ILE 76 3HG1 ILE 76 15.407 3.414 6.814 622 HG21 ILE 76 1HG2 ILE 76 12.978 4.250 7.281 623 HG22 ILE 76 2HG2 ILE 76 12.777 5.992 7.455 624 HG23 ILE 76 3HG2 ILE 76 13.409 5.324 5.951 625 HD11 ILE 76 3HD1 ILE 76 14.936 4.673 4.824 626 HD12 ILE 76 1HD1 ILE 76 16.156 5.872 5.252 627 HD13 ILE 76 2HD1 ILE 76 16.642 4.226 4.845 628 H ILE 77 H ILE 77 13.725 8.766 7.259 629 HA ILE 77 HA ILE 77 13.286 9.064 10.159 630 HB ILE 77 HB ILE 77 13.187 11.228 8.055 631 HG12 ILE 77 2HG1 ILE 77 15.196 10.815 10.278 632 HG13 ILE 77 3HG1 ILE 77 15.476 10.372 8.597 633 HG21 ILE 77 1HG2 ILE 77 12.778 11.289 11.037 634 HG22 ILE 77 2HG2 ILE 77 13.059 12.729 10.059 635 HG23 ILE 77 3HG2 ILE 77 11.626 11.739 9.779 636 HD11 ILE 77 3HD1 ILE 77 16.294 12.402 8.296 637 HD12 ILE 77 1HD1 ILE 77 14.661 13.030 8.515 638 HD13 ILE 77 2HD1 ILE 77 15.756 12.919 9.893 639 H GLN 78 H GLN 78 11.845 8.695 7.049 640 HA GLN 78 HA GLN 78 9.241 9.620 7.659 641 HB2 GLN 78 2HB GLN 78 9.895 7.464 5.658 642 HB3 GLN 78 3HB GLN 78 8.557 8.604 5.622 643 HG2 GLN 78 2HG GLN 78 11.452 9.092 5.043 644 HG3 GLN 78 3HG GLN 78 10.049 9.394 4.019 645 HE21 GLN 78 1HE2 GLN 78 12.290 11.109 5.069 646 HE22 GLN 78 2HE2 GLN 78 11.493 12.479 5.756 647 H PHE 79 H PHE 79 10.882 6.566 8.127 648 HA PHE 79 HA PHE 79 8.518 5.085 8.774 649 HB2 PHE 79 2HB PHE 79 11.243 4.495 8.296 650 HB3 PHE 79 3HB PHE 79 10.878 3.915 9.918 651 HD1 PHE 79 HD2 PHE 79 8.151 2.995 9.732 652 HD2 PHE 79 HD1 PHE 79 11.309 2.671 6.897 653 HE1 PHE 79 HE2 PHE 79 7.083 0.995 8.777 654 HE2 PHE 79 HE1 PHE 79 10.246 0.670 5.937 655 HZ PHE 79 HZ PHE 79 8.131 -0.171 6.877 656 H GLN 80 H GLN 80 11.185 6.454 10.691 657 HA GLN 80 HA GLN 80 10.259 5.687 13.210 658 HB2 GLN 80 2HB GLN 80 11.761 8.237 12.622 659 HB3 GLN 80 3HB GLN 80 11.767 7.311 14.117 660 HG2 GLN 80 2HG GLN 80 12.778 5.419 12.751 661 HG3 GLN 80 3HG GLN 80 13.045 6.625 11.494 662 HE21 GLN 80 1HE2 GLN 80 13.787 8.812 12.890 663 HE22 GLN 80 2HE2 GLN 80 15.265 8.517 13.736 664 H ASP 81 H ASP 81 9.659 8.659 11.367 665 HA ASP 81 HA ASP 81 8.125 9.980 13.309 666 HB2 ASP 81 2HB ASP 81 9.111 10.901 11.118 667 HB3 ASP 81 3HB ASP 81 7.660 10.266 10.347 668 H SER 82 H SER 82 7.276 7.579 10.895 669 HA SER 82 HA SER 82 4.446 7.848 11.259 670 HB2 SER 82 2HB SER 82 5.972 6.747 9.304 671 HB3 SER 82 3HB SER 82 5.493 5.297 10.187 672 HG SER 82 HG SER 82 3.884 7.185 8.858 673 H PHE 83 H PHE 83 6.902 5.526 12.344 674 HA PHE 83 HA PHE 83 5.098 3.887 13.793 675 HB2 PHE 83 2HB PHE 83 8.051 4.149 13.575 676 HB3 PHE 83 3HB PHE 83 7.423 3.337 15.005 677 HD1 PHE 83 HD2 PHE 83 5.231 1.772 14.140 678 HD2 PHE 83 HD1 PHE 83 8.850 2.624 12.068 679 HE1 PHE 83 HE2 PHE 83 4.976 -0.306 12.848 680 HE2 PHE 83 HE1 PHE 83 8.601 0.547 10.772 681 HZ PHE 83 HZ PHE 83 6.663 -0.922 11.162 682 H GLY 84 H GLY 84 6.615 6.898 14.471 683 HA2 GLY 84 2HA GLY 84 6.419 6.684 17.342 684 HA3 GLY 84 3HA GLY 84 6.851 8.121 16.428 685 H LYS 85 H LYS 85 4.566 8.245 14.767 686 HA LYS 85 HA LYS 85 2.782 9.617 16.493 687 HB2 LYS 85 2HB LYS 85 1.430 9.985 14.498 688 HB3 LYS 85 3HB LYS 85 3.130 10.272 14.149 689 HG2 LYS 85 2HG LYS 85 3.309 8.432 12.798 690 HG3 LYS 85 3HG LYS 85 1.991 7.577 13.602 691 HD2 LYS 85 2HD LYS 85 1.535 10.062 11.971 692 HD3 LYS 85 3HD LYS 85 1.542 8.451 11.251 693 HE2 LYS 85 2HE LYS 85 -0.216 7.802 12.915 694 HE3 LYS 85 3HE LYS 85 -0.302 9.496 13.394 695 HZ1 LYS 85 3HZ LYS 85 -1.764 8.350 11.428 696 HZ2 LYS 85 1HZ LYS 85 -0.520 9.095 10.556 697 HZ3 LYS 85 2HZ LYS 85 -1.489 10.011 11.595 698 H VAL 86 H VAL 86 3.084 6.349 15.667 699 HA VAL 86 HA VAL 86 0.316 5.805 16.524 700 HB VAL 86 HB VAL 86 0.477 3.653 15.376 701 HG11 VAL 86 1HG1 VAL 86 0.099 4.453 13.234 702 HG12 VAL 86 2HG1 VAL 86 -0.178 5.883 14.231 703 HG13 VAL 86 3HG1 VAL 86 1.347 5.691 13.366 704 HG21 VAL 86 3HG2 VAL 86 2.812 3.175 15.546 705 HG22 VAL 86 1HG2 VAL 86 2.408 3.265 13.831 706 HG23 VAL 86 2HG2 VAL 86 3.231 4.613 14.615 707 H ALA 87 H ALA 87 3.528 5.656 17.455 708 HA ALA 87 HA ALA 87 3.543 3.220 18.920 709 HB1 ALA 87 1HB ALA 87 5.410 4.737 20.177 710 HB2 ALA 87 2HB ALA 87 5.694 3.822 18.695 711 HB3 ALA 87 3HB ALA 87 5.310 5.541 18.610 712 H ALA 88 H ALA 88 3.012 6.607 19.863 713 HA ALA 88 HA ALA 88 2.631 6.143 22.605 714 HB1 ALA 88 1HB ALA 88 2.985 8.363 22.125 715 HB2 ALA 88 2HB ALA 88 1.896 8.349 20.737 716 HB3 ALA 88 3HB ALA 88 1.238 8.344 22.373 717 H GLU 89 H GLU 89 0.483 5.836 19.869 718 HA GLU 89 HA GLU 89 -1.920 5.681 21.424 719 HB2 GLU 89 2HB GLU 89 -1.713 6.353 18.963 720 HB3 GLU 89 3HB GLU 89 -1.560 4.635 18.622 721 HG2 GLU 89 2HG GLU 89 -3.807 5.025 18.290 722 HG3 GLU 89 3HG GLU 89 -3.762 4.405 19.939 723 H VAL 90 H VAL 90 -0.022 3.275 19.601 724 HA VAL 90 HA VAL 90 -1.494 1.038 20.487 725 HB VAL 90 HB VAL 90 1.361 1.162 19.504 726 HG11 VAL 90 1HG1 VAL 90 -0.472 -1.106 20.146 727 HG12 VAL 90 2HG1 VAL 90 0.701 -1.275 18.838 728 HG13 VAL 90 3HG1 VAL 90 1.251 -0.924 20.477 729 HG21 VAL 90 3HG2 VAL 90 0.546 1.441 17.455 730 HG22 VAL 90 1HG2 VAL 90 -0.523 0.053 17.651 731 HG23 VAL 90 2HG2 VAL 90 -1.057 1.655 18.158 732 H LEU 91 H LEU 91 1.747 2.161 21.479 733 HA LEU 91 HA LEU 91 2.211 0.368 23.517 734 HB2 LEU 91 2HB LEU 91 2.981 3.279 23.387 735 HB3 LEU 91 3HB LEU 91 3.669 2.105 24.507 736 HG LEU 91 HG LEU 91 3.888 1.903 21.507 737 HD11 LEU 91 1HD1 LEU 91 6.032 2.802 23.415 738 HD12 LEU 91 2HD1 LEU 91 5.008 3.924 22.520 739 HD13 LEU 91 3HD1 LEU 91 6.065 2.811 21.651 740 HD21 LEU 91 3HD2 LEU 91 4.133 -0.099 23.241 741 HD22 LEU 91 1HD2 LEU 91 5.753 0.580 23.393 742 HD23 LEU 91 2HD2 LEU 91 5.164 0.049 21.817 743 H GLY 92 H GLY 92 0.232 3.270 23.547 744 HA2 GLY 92 2HA GLY 92 -0.152 3.359 26.368 745 HA3 GLY 92 3HA GLY 92 -1.133 4.178 25.161 746 H ARG 93 H ARG 93 -1.888 1.802 23.728 747 HA ARG 93 HA ARG 93 -4.084 0.994 25.402 748 HB2 ARG 93 2HB ARG 93 -3.292 0.576 22.557 749 HB3 ARG 93 3HB ARG 93 -4.438 -0.550 23.272 750 HG2 ARG 93 2HG ARG 93 -4.924 2.370 23.570 751 HG3 ARG 93 3HG ARG 93 -5.252 1.599 22.017 752 HD2 ARG 93 2HD ARG 93 -6.835 0.127 22.976 753 HD3 ARG 93 3HD ARG 93 -6.326 0.533 24.615 754 HE ARG 93 HE ARG 93 -7.274 2.840 23.285 755 HH11 ARG 93 1HH1 ARG 93 -8.379 -0.120 24.747 756 HH12 ARG 93 2HH1 ARG 93 -9.936 0.514 25.164 757 HH21 ARG 93 1HH2 ARG 93 -9.320 3.687 23.829 758 HH22 ARG 93 2HH2 ARG 93 -10.471 2.680 24.641 759 H ILE 94 H ILE 94 -1.480 -0.766 23.715 760 HA ILE 94 HA ILE 94 -2.000 -3.284 24.788 761 HB ILE 94 HB ILE 94 0.222 -3.918 24.138 762 HG12 ILE 94 2HG1 ILE 94 0.795 -0.953 23.944 763 HG13 ILE 94 3HG1 ILE 94 1.459 -2.063 25.138 764 HG21 ILE 94 1HG2 ILE 94 -0.014 -3.604 21.892 765 HG22 ILE 94 2HG2 ILE 94 -1.609 -3.077 22.426 766 HG23 ILE 94 3HG2 ILE 94 -0.365 -1.884 22.056 767 HD11 ILE 94 3HD1 ILE 94 2.387 -3.330 23.089 768 HD12 ILE 94 1HD1 ILE 94 2.089 -1.818 22.232 769 HD13 ILE 94 2HD1 ILE 94 3.178 -1.846 23.620 770 H ASN 95 H ASN 95 -0.485 -0.512 26.202 771 HA ASN 95 HA ASN 95 1.024 -1.738 28.221 772 HB2 ASN 95 2HB ASN 95 1.411 0.564 27.859 773 HB3 ASN 95 3HB ASN 95 -0.298 0.960 28.012 774 HD21 ASN 95 1HD2 ASN 95 -0.795 1.941 29.820 775 HD22 ASN 95 2HD2 ASN 95 -0.009 1.738 31.345 776 H GLN 96 H GLN 96 -2.393 -1.082 27.948 777 HA GLN 96 HA GLN 96 -2.965 -1.592 30.719 778 HB2 GLN 96 2HB GLN 96 -4.865 -1.520 28.370 779 HB3 GLN 96 3HB GLN 96 -5.301 -1.421 30.071 780 HG2 GLN 96 2HG GLN 96 -3.923 0.685 30.179 781 HG3 GLN 96 3HG GLN 96 -3.832 0.612 28.420 782 HE21 GLN 96 1HE2 GLN 96 -5.579 1.178 27.213 783 HE22 GLN 96 2HE2 GLN 96 -7.032 1.833 27.878 784 H GLU 97 H GLU 97 -3.370 -3.373 27.675 785 HA GLU 97 HA GLU 97 -4.472 -5.689 28.924 786 HB2 GLU 97 2HB GLU 97 -3.241 -5.293 26.193 787 HB3 GLU 97 3HB GLU 97 -4.047 -6.767 26.710 788 HG2 GLU 97 2HG GLU 97 -5.517 -4.193 26.923 789 HG3 GLU 97 3HG GLU 97 -5.310 -4.926 25.333 790 H PHE 98 H PHE 98 -1.300 -4.482 28.519 791 HA PHE 98 HA PHE 98 0.024 -7.039 28.687 792 HB2 PHE 98 2HB PHE 98 0.900 -4.185 28.565 793 HB3 PHE 98 3HB PHE 98 2.034 -5.390 29.167 794 HD1 PHE 98 HD1 PHE 98 -0.453 -6.217 26.618 795 HD2 PHE 98 HD2 PHE 98 3.577 -5.057 27.345 796 HE1 PHE 98 HE1 PHE 98 0.133 -6.815 24.304 797 HE2 PHE 98 HE2 PHE 98 4.169 -5.652 25.033 798 HZ PHE 98 HZ PHE 98 2.447 -6.532 23.509 799 HA PRO 99 HA PRO 99 -0.398 -7.232 33.119 800 HB2 PRO 99 2HB PRO 99 0.980 -9.552 33.423 801 HB3 PRO 99 3HB PRO 99 -0.687 -9.494 32.838 802 HG2 PRO 99 2HG PRO 99 1.858 -9.759 31.283 803 HG3 PRO 99 3HG PRO 99 0.323 -10.622 31.073 804 HD2 PRO 99 2HD PRO 99 1.045 -8.532 29.510 805 HD3 PRO 99 3HD PRO 99 -0.647 -8.875 29.924 806 H ARG 100 H ARG 100 1.214 -7.746 34.956 807 HA ARG 100 HA ARG 100 3.192 -5.825 35.037 808 HB2 ARG 100 2HB ARG 100 2.663 -8.303 36.620 809 HB3 ARG 100 3HB ARG 100 4.173 -7.441 36.879 810 HG2 ARG 100 2HG ARG 100 2.589 -5.366 37.110 811 HG3 ARG 100 3HG ARG 100 1.383 -6.602 37.474 812 HD2 ARG 100 2HD ARG 100 2.979 -7.506 39.191 813 HD3 ARG 100 3HD ARG 100 3.976 -6.078 38.914 814 HE ARG 100 HE ARG 100 1.497 -6.212 40.372 815 HH11 ARG 100 1HH1 ARG 100 3.701 -4.158 38.627 816 HH12 ARG 100 2HH1 ARG 100 3.177 -2.706 39.415 817 HH21 ARG 100 1HH2 ARG 100 0.800 -4.308 41.417 818 HH22 ARG 100 2HH2 ARG 100 1.527 -2.793 41.003 819 H ASP 101 H ASP 101 3.552 -9.290 34.333 820 HA ASP 101 HA ASP 101 6.306 -9.400 34.058 821 HB2 ASP 101 2HB ASP 101 4.116 -10.933 32.659 822 HB3 ASP 101 3HB ASP 101 5.823 -11.300 32.428 823 H LEU 102 H LEU 102 3.872 -8.673 31.570 824 HA LEU 102 HA LEU 102 5.739 -8.272 29.479 825 HB2 LEU 102 2HB LEU 102 2.860 -7.834 29.909 826 HB3 LEU 102 3HB LEU 102 3.612 -6.787 28.707 827 HG LEU 102 HG LEU 102 2.634 -8.692 27.612 828 HD11 LEU 102 1HD1 LEU 102 4.507 -9.455 26.360 829 HD12 LEU 102 2HD1 LEU 102 5.614 -9.112 27.689 830 HD13 LEU 102 3HD1 LEU 102 4.832 -7.786 26.827 831 HD21 LEU 102 3HD2 LEU 102 3.371 -10.974 28.089 832 HD22 LEU 102 1HD2 LEU 102 2.613 -10.235 29.500 833 HD23 LEU 102 2HD2 LEU 102 4.369 -10.377 29.415 834 H LYS 103 H LYS 103 4.183 -6.089 31.780 835 HA LYS 103 HA LYS 103 4.894 -3.636 30.758 836 HB2 LYS 103 2HB LYS 103 4.666 -4.610 33.598 837 HB3 LYS 103 3HB LYS 103 5.046 -2.933 33.228 838 HG2 LYS 103 2HG LYS 103 2.883 -3.248 31.679 839 HG3 LYS 103 3HG LYS 103 2.510 -4.411 32.953 840 HD2 LYS 103 2HD LYS 103 2.551 -2.757 34.622 841 HD3 LYS 103 3HD LYS 103 3.380 -1.603 33.576 842 HE2 LYS 103 2HE LYS 103 1.111 -0.908 33.731 843 HE3 LYS 103 3HE LYS 103 1.334 -1.597 32.124 844 HZ1 LYS 103 3HZ LYS 103 0.097 -2.961 34.454 845 HZ2 LYS 103 1HZ LYS 103 0.357 -3.668 32.939 846 HZ3 LYS 103 2HZ LYS 103 -0.718 -2.371 33.094 847 H LYS 104 H LYS 104 6.906 -6.004 32.342 848 HA LYS 104 HA LYS 104 9.121 -4.295 32.853 849 HB2 LYS 104 2HB LYS 104 8.507 -6.724 33.733 850 HB3 LYS 104 3HB LYS 104 9.514 -7.214 32.377 851 HG2 LYS 104 2HG LYS 104 11.425 -6.357 33.305 852 HG3 LYS 104 3HG LYS 104 10.552 -5.162 34.267 853 HD2 LYS 104 2HD LYS 104 9.612 -7.176 35.552 854 HD3 LYS 104 3HD LYS 104 10.906 -8.099 34.784 855 HE2 LYS 104 2HE LYS 104 12.375 -6.090 35.679 856 HE3 LYS 104 3HE LYS 104 11.053 -5.951 36.837 857 HZ1 LYS 104 3HZ LYS 104 11.494 -8.548 36.972 858 HZ2 LYS 104 1HZ LYS 104 12.322 -7.436 37.941 859 HZ3 LYS 104 2HZ LYS 104 13.052 -8.049 36.544 860 H LYS 105 H LYS 105 8.304 -6.514 30.213 861 HA LYS 105 HA LYS 105 10.724 -6.031 28.769 862 HB2 LYS 105 2HB LYS 105 8.151 -7.110 27.625 863 HB3 LYS 105 3HB LYS 105 9.790 -7.392 27.051 864 HG2 LYS 105 2HG LYS 105 8.731 -8.347 29.702 865 HG3 LYS 105 3HG LYS 105 8.788 -9.324 28.233 866 HD2 LYS 105 2HD LYS 105 11.307 -8.000 29.040 867 HD3 LYS 105 3HD LYS 105 10.741 -9.315 30.073 868 HE2 LYS 105 2HE LYS 105 10.443 -10.593 27.830 869 HE3 LYS 105 3HE LYS 105 11.549 -9.377 27.193 870 HZ1 LYS 105 3HZ LYS 105 13.247 -10.454 28.086 871 HZ2 LYS 105 1HZ LYS 105 12.198 -11.686 28.581 872 HZ3 LYS 105 2HZ LYS 105 12.548 -10.402 29.626 873 H LEU 106 H LEU 106 7.562 -4.575 28.873 874 HA LEU 106 HA LEU 106 7.911 -3.085 26.430 875 HB2 LEU 106 2HB LEU 106 5.690 -3.761 27.144 876 HB3 LEU 106 3HB LEU 106 5.873 -2.847 28.640 877 HG LEU 106 HG LEU 106 6.069 -1.388 26.049 878 HD11 LEU 106 1HD1 LEU 106 4.101 -2.336 25.439 879 HD12 LEU 106 2HD1 LEU 106 3.466 -1.088 26.510 880 HD13 LEU 106 3HD1 LEU 106 3.650 -2.741 27.095 881 HD21 LEU 106 3HD2 LEU 106 6.029 0.348 27.427 882 HD22 LEU 106 1HD2 LEU 106 5.948 -0.754 28.802 883 HD23 LEU 106 2HD2 LEU 106 4.462 -0.163 28.057 884 H SER 107 H SER 107 8.288 -2.521 29.876 885 HA SER 107 HA SER 107 8.713 0.302 29.617 886 HB2 SER 107 2HB SER 107 7.884 -0.430 31.721 887 HB3 SER 107 3HB SER 107 9.141 -1.658 31.873 888 HG SER 107 HG SER 107 10.202 -0.186 32.918 889 H ARG 108 H ARG 108 10.726 -2.556 29.640 890 HA ARG 108 HA ARG 108 13.194 -1.098 29.899 891 HB2 ARG 108 2HB ARG 108 14.283 -3.202 29.717 892 HB3 ARG 108 3HB ARG 108 12.827 -3.479 30.664 893 HG2 ARG 108 2HG ARG 108 12.636 -5.240 29.269 894 HG3 ARG 108 3HG ARG 108 11.859 -4.034 28.240 895 HD2 ARG 108 2HD ARG 108 13.354 -4.911 26.752 896 HD3 ARG 108 3HD ARG 108 14.339 -3.623 27.444 897 HE ARG 108 HE ARG 108 15.726 -5.217 28.304 898 HH11 ARG 108 1HH1 ARG 108 12.667 -6.693 27.538 899 HH12 ARG 108 2HH1 ARG 108 13.206 -8.301 27.892 900 HH21 ARG 108 1HH2 ARG 108 16.448 -7.329 28.772 901 HH22 ARG 108 2HH2 ARG 108 15.357 -8.662 28.594 902 H VAL 109 H VAL 109 11.258 -2.424 27.291 903 HA VAL 109 HA VAL 109 13.254 -1.979 25.271 904 HB VAL 109 HB VAL 109 11.467 -3.736 25.108 905 HG11 VAL 109 1HG1 VAL 109 9.675 -1.429 24.369 906 HG12 VAL 109 2HG1 VAL 109 9.246 -3.139 24.449 907 HG13 VAL 109 3HG1 VAL 109 9.632 -2.255 25.926 908 HG21 VAL 109 3HG2 VAL 109 11.518 -1.773 22.819 909 HG22 VAL 109 1HG2 VAL 109 12.790 -2.943 23.170 910 HG23 VAL 109 2HG2 VAL 109 11.177 -3.501 22.725 911 H VAL 110 H VAL 110 10.493 -0.241 26.554 912 HA VAL 110 HA VAL 110 10.425 1.736 24.486 913 HB VAL 110 HB VAL 110 8.467 1.156 25.936 914 HG11 VAL 110 1HG1 VAL 110 8.300 2.101 28.153 915 HG12 VAL 110 2HG1 VAL 110 9.720 1.057 28.066 916 HG13 VAL 110 3HG1 VAL 110 9.908 2.810 28.007 917 HG21 VAL 110 3HG2 VAL 110 9.426 3.953 25.519 918 HG22 VAL 110 1HG2 VAL 110 8.109 3.085 24.729 919 HG23 VAL 110 2HG2 VAL 110 7.913 3.672 26.381 920 H ASN 111 H ASN 111 11.993 1.427 27.609 921 HA ASN 111 HA ASN 111 12.785 4.128 27.888 922 HB2 ASN 111 2HB ASN 111 13.769 1.544 29.078 923 HB3 ASN 111 3HB ASN 111 14.568 3.073 29.428 924 HD21 ASN 111 1HD2 ASN 111 13.388 1.503 31.383 925 HD22 ASN 111 2HD2 ASN 111 12.025 2.346 32.029 926 H ILE 112 H ILE 112 13.837 1.658 25.814 927 HA ILE 112 HA ILE 112 16.544 2.602 25.505 928 HB ILE 112 HB ILE 112 14.948 0.657 23.835 929 HG12 ILE 112 2HG1 ILE 112 17.221 -0.063 25.654 930 HG13 ILE 112 3HG1 ILE 112 15.610 0.172 26.324 931 HG21 ILE 112 1HG2 ILE 112 17.125 -0.009 22.902 932 HG22 ILE 112 2HG2 ILE 112 16.716 1.662 22.519 933 HG23 ILE 112 3HG2 ILE 112 17.891 1.310 23.786 934 HD11 ILE 112 3HD1 ILE 112 15.514 -2.052 25.936 935 HD12 ILE 112 1HD1 ILE 112 14.974 -1.487 24.355 936 HD13 ILE 112 2HD1 ILE 112 16.651 -1.982 24.590 937 H LEU 113 H LEU 113 13.457 3.084 23.940 938 HA LEU 113 HA LEU 113 14.285 4.167 21.511 939 HB2 LEU 113 2HB LEU 113 11.867 4.648 23.223 940 HB3 LEU 113 3HB LEU 113 12.088 5.473 21.681 941 HG LEU 113 HG LEU 113 12.096 2.474 21.907 942 HD11 LEU 113 1HD1 LEU 113 9.714 2.678 21.068 943 HD12 LEU 113 2HD1 LEU 113 9.770 4.353 21.616 944 HD13 LEU 113 3HD1 LEU 113 9.982 3.040 22.773 945 HD21 LEU 113 3HD2 LEU 113 12.863 2.874 19.815 946 HD22 LEU 113 1HD2 LEU 113 12.143 4.482 19.737 947 HD23 LEU 113 2HD2 LEU 113 11.141 3.054 19.476 948 H LYS 114 H LYS 114 13.986 5.645 24.689 949 HA LYS 114 HA LYS 114 14.392 8.322 23.831 950 HB2 LYS 114 2HB LYS 114 14.449 8.893 26.096 951 HB3 LYS 114 3HB LYS 114 13.425 7.464 26.064 952 HG2 LYS 114 2HG LYS 114 14.751 6.872 27.791 953 HG3 LYS 114 3HG LYS 114 15.773 6.274 26.482 954 HD2 LYS 114 2HD LYS 114 17.319 7.490 27.642 955 HD3 LYS 114 3HD LYS 114 16.705 8.751 26.569 956 HE2 LYS 114 2HE LYS 114 15.131 9.436 28.354 957 HE3 LYS 114 3HE LYS 114 15.863 8.239 29.421 958 HZ1 LYS 114 3HZ LYS 114 17.686 10.118 28.155 959 HZ2 LYS 114 1HZ LYS 114 17.689 9.498 29.729 960 HZ3 LYS 114 2HZ LYS 114 16.647 10.766 29.322 961 H GLU 115 H GLU 115 16.521 5.682 24.638 962 HA GLU 115 HA GLU 115 18.883 7.225 24.984 963 HB2 GLU 115 2HB GLU 115 18.389 4.315 24.384 964 HB3 GLU 115 3HB GLU 115 20.014 4.977 24.505 965 HG2 GLU 115 2HG GLU 115 17.965 5.195 26.693 966 HG3 GLU 115 3HG GLU 115 19.142 3.887 26.578 967 H ARG 116 H ARG 116 17.491 5.485 22.227 968 HA ARG 116 HA ARG 116 19.636 6.312 20.473 969 HB2 ARG 116 2HB ARG 116 17.037 5.042 19.631 970 HB3 ARG 116 3HB ARG 116 18.589 4.996 18.804 971 HG2 ARG 116 2HG ARG 116 17.961 3.657 21.427 972 HG3 ARG 116 3HG ARG 116 18.052 2.861 19.855 973 HD2 ARG 116 2HD ARG 116 20.442 4.032 19.851 974 HD3 ARG 116 3HD ARG 116 20.217 3.904 21.595 975 HE ARG 116 HE ARG 116 20.614 1.667 21.419 976 HH11 ARG 116 1HH1 ARG 116 19.651 2.869 18.297 977 HH12 ARG 116 2HH1 ARG 116 19.926 1.362 17.487 978 HH21 ARG 116 1HH2 ARG 116 20.980 -0.322 20.365 979 HH22 ARG 116 2HH2 ARG 116 20.681 -0.453 18.665 980 H ASN 117 H ASN 117 16.653 7.571 21.528 981 HA ASN 117 HA ASN 117 15.472 9.439 20.990 982 HB2 ASN 117 2HB ASN 117 17.800 10.230 19.237 983 HB3 ASN 117 3HB ASN 117 16.631 11.288 20.022 984 HD21 ASN 117 1HD2 ASN 117 16.609 11.181 22.428 985 HD22 ASN 117 2HD2 ASN 117 18.133 11.038 23.230 986 H ILE 118 H ILE 118 14.857 7.179 19.545 987 HA ILE 118 HA ILE 118 14.853 7.511 16.749 988 HB ILE 118 HB ILE 118 12.801 6.001 18.367 989 HG12 ILE 118 2HG1 ILE 118 15.023 5.289 19.049 990 HG13 ILE 118 3HG1 ILE 118 14.287 4.040 18.051 991 HG21 ILE 118 1HG2 ILE 118 12.396 4.737 16.412 992 HG22 ILE 118 2HG2 ILE 118 12.391 6.428 15.911 993 HG23 ILE 118 3HG2 ILE 118 13.801 5.418 15.592 994 HD11 ILE 118 3HD1 ILE 118 16.307 6.060 17.109 995 HD12 ILE 118 1HD1 ILE 118 16.644 4.379 17.520 996 HD13 ILE 118 2HD1 ILE 118 15.603 4.760 16.148 997 H PHE 119 H PHE 119 12.203 8.012 19.087 998 HA PHE 119 HA PHE 119 10.712 9.513 17.090 999 HB2 PHE 119 2HB PHE 119 9.941 8.900 19.949 1000 HB3 PHE 119 3HB PHE 119 8.878 9.463 18.663 1001 HD1 PHE 119 HD2 PHE 119 9.631 7.758 16.423 1002 HD2 PHE 119 HD1 PHE 119 9.172 6.808 20.546 1003 HE1 PHE 119 HE2 PHE 119 9.121 5.426 15.825 1004 HE2 PHE 119 HE1 PHE 119 8.661 4.474 19.955 1005 HZ PHE 119 HZ PHE 119 8.634 3.781 17.592 1006 H SER 120 H SER 120 9.687 11.592 17.750 1007 HA SER 120 HA SER 120 11.721 13.384 18.711 1008 HB2 SER 120 2HB SER 120 9.922 13.753 16.832 1009 HB3 SER 120 3HB SER 120 8.903 14.258 18.180 1010 HG SER 120 HG SER 120 9.909 16.084 17.554 1011 H LYS 121 H LYS 121 11.249 15.052 20.354 1012 HA LYS 121 HA LYS 121 10.707 13.982 22.839 1013 HB2 LYS 121 2HB LYS 121 11.846 16.182 22.309 1014 HB3 LYS 121 3HB LYS 121 10.242 16.876 22.118 1015 HG2 LYS 121 2HG LYS 121 9.849 15.910 24.508 1016 HG3 LYS 121 3HG LYS 121 11.612 15.922 24.586 1017 HD2 LYS 121 2HD LYS 121 10.253 18.374 23.605 1018 HD3 LYS 121 3HD LYS 121 10.149 18.011 25.329 1019 HE2 LYS 121 2HE LYS 121 12.072 19.252 25.289 1020 HE3 LYS 121 3HE LYS 121 12.739 17.635 25.069 1021 HZ1 LYS 121 3HZ LYS 121 13.726 19.120 23.491 1022 HZ2 LYS 121 1HZ LYS 121 12.211 19.636 22.940 1023 HZ3 LYS 121 2HZ LYS 121 12.719 18.048 22.654 1024 H GLN 122 H GLN 122 8.519 15.838 20.742 1025 HA GLN 122 HA GLN 122 6.308 15.872 22.450 1026 HB2 GLN 122 2HB GLN 122 6.797 17.002 20.090 1027 HB3 GLN 122 3HB GLN 122 5.856 15.631 19.517 1028 HG2 GLN 122 2HG GLN 122 4.247 17.249 19.792 1029 HG3 GLN 122 3HG GLN 122 4.146 16.363 21.312 1030 HE21 GLN 122 1HE2 GLN 122 3.936 17.624 23.001 1031 HE22 GLN 122 2HE2 GLN 122 4.612 19.202 23.193 1032 H VAL 123 H VAL 123 7.486 13.412 20.252 1033 HA VAL 123 HA VAL 123 5.151 11.782 20.320 1034 HB VAL 123 HB VAL 123 7.964 10.864 19.731 1035 HG11 VAL 123 1HG1 VAL 123 5.895 9.688 18.133 1036 HG12 VAL 123 2HG1 VAL 123 7.043 8.908 19.222 1037 HG13 VAL 123 3HG1 VAL 123 5.506 9.511 19.843 1038 HG21 VAL 123 3HG2 VAL 123 6.199 12.657 18.239 1039 HG22 VAL 123 1HG2 VAL 123 7.933 12.376 18.078 1040 HG23 VAL 123 2HG2 VAL 123 6.786 11.284 17.300 1041 H VAL 124 H VAL 124 8.343 11.432 21.877 1042 HA VAL 124 HA VAL 124 7.768 9.189 23.414 1043 HB VAL 124 HB VAL 124 9.610 11.476 24.126 1044 HG11 VAL 124 1HG1 VAL 124 8.865 9.126 25.574 1045 HG12 VAL 124 2HG1 VAL 124 10.565 9.017 25.111 1046 HG13 VAL 124 3HG1 VAL 124 9.988 10.405 26.033 1047 HG21 VAL 124 3HG2 VAL 124 9.948 10.284 21.899 1048 HG22 VAL 124 1HG2 VAL 124 11.329 10.339 22.995 1049 HG23 VAL 124 2HG2 VAL 124 10.374 8.863 22.852 1050 H ASN 125 H ASN 125 7.508 12.623 24.322 1051 HA ASN 125 HA ASN 125 6.603 12.276 26.927 1052 HB2 ASN 125 2HB ASN 125 6.361 14.454 24.900 1053 HB3 ASN 125 3HB ASN 125 5.365 14.553 26.350 1054 HD21 ASN 125 1HD2 ASN 125 8.702 13.564 25.644 1055 HD22 ASN 125 2HD2 ASN 125 9.431 14.566 26.848 1056 H ASP 126 H ASP 126 4.944 11.877 23.912 1057 HA ASP 126 HA ASP 126 2.292 12.014 24.985 1058 HB2 ASP 126 2HB ASP 126 3.103 12.319 22.522 1059 HB3 ASP 126 3HB ASP 126 2.974 10.563 22.449 1060 H ILE 127 H ILE 127 4.658 9.489 24.457 1061 HA ILE 127 HA ILE 127 2.927 7.277 24.791 1062 HB ILE 127 HB ILE 127 5.876 7.378 25.428 1063 HG12 ILE 127 2HG1 ILE 127 4.536 6.704 22.801 1064 HG13 ILE 127 3HG1 ILE 127 5.349 8.226 23.146 1065 HG21 ILE 127 1HG2 ILE 127 5.251 4.911 24.363 1066 HG22 ILE 127 2HG2 ILE 127 5.503 5.276 26.069 1067 HG23 ILE 127 3HG2 ILE 127 3.872 5.277 25.400 1068 HD11 ILE 127 3HD1 ILE 127 7.093 7.211 22.178 1069 HD12 ILE 127 1HD1 ILE 127 7.301 6.474 23.767 1070 HD13 ILE 127 2HD1 ILE 127 6.461 5.595 22.489 1071 H GLU 128 H GLU 128 5.122 8.919 27.065 1072 HA GLU 128 HA GLU 128 4.605 7.372 29.312 1073 HB2 GLU 128 2HB GLU 128 5.154 10.344 29.264 1074 HB3 GLU 128 3HB GLU 128 5.401 9.261 30.627 1075 HG2 GLU 128 2HG GLU 128 7.034 8.005 29.165 1076 HG3 GLU 128 3HG GLU 128 6.918 9.355 28.039 1077 H ARG 129 H ARG 129 3.071 10.471 28.433 1078 HA ARG 129 HA ARG 129 1.206 10.559 30.488 1079 HB2 ARG 129 2HB ARG 129 -0.018 12.143 29.138 1080 HB3 ARG 129 3HB ARG 129 1.705 12.427 28.931 1081 HG2 ARG 129 2HG ARG 129 1.694 11.391 26.784 1082 HG3 ARG 129 3HG ARG 129 0.036 10.829 27.007 1083 HD2 ARG 129 2HD ARG 129 0.610 13.748 27.184 1084 HD3 ARG 129 3HD ARG 129 0.563 12.984 25.596 1085 HE ARG 129 HE ARG 129 -1.732 12.154 26.807 1086 HH11 ARG 129 1HH1 ARG 129 -0.294 15.255 26.150 1087 HH12 ARG 129 2HH1 ARG 129 -1.813 16.076 26.011 1088 HH21 ARG 129 1HH2 ARG 129 -3.738 13.223 26.626 1089 HH22 ARG 129 2HH2 ARG 129 -3.772 14.920 26.283 1090 H SER 130 H SER 130 1.211 8.708 27.541 1091 HA SER 130 HA SER 130 -1.534 8.075 27.424 1092 HB2 SER 130 2HB SER 130 0.399 7.683 25.690 1093 HB3 SER 130 3HB SER 130 0.558 6.130 26.511 1094 HG SER 130 HG SER 130 -1.280 6.916 24.712 1095 H LEU 131 H LEU 131 1.179 6.594 29.113 1096 HA LEU 131 HA LEU 131 -0.317 4.329 30.026 1097 HB2 LEU 131 2HB LEU 131 2.201 5.372 31.282 1098 HB3 LEU 131 3HB LEU 131 1.609 3.713 31.223 1099 HG LEU 131 HG LEU 131 2.541 5.222 28.788 1100 HD11 LEU 131 1HD1 LEU 131 4.490 5.131 30.041 1101 HD12 LEU 131 2HD1 LEU 131 4.564 3.650 29.088 1102 HD13 LEU 131 3HD1 LEU 131 4.065 3.586 30.778 1103 HD21 LEU 131 3HD2 LEU 131 1.003 3.085 28.785 1104 HD22 LEU 131 1HD2 LEU 131 2.533 2.260 29.084 1105 HD23 LEU 131 2HD2 LEU 131 2.335 3.253 27.640 1106 H ALA 132 H ALA 132 0.822 7.336 31.542 1107 HA ALA 132 HA ALA 132 -0.088 6.942 34.116 1108 HB1 ALA 132 1HB ALA 132 0.368 9.352 32.436 1109 HB2 ALA 132 2HB ALA 132 -0.475 9.549 33.973 1110 HB3 ALA 132 3HB ALA 132 1.146 8.855 33.939 1111 H ALA 133 H ALA 133 -1.898 7.829 31.248 1112 HA ALA 133 HA ALA 133 -4.284 8.625 32.540 1113 HB1 ALA 133 1HB ALA 133 -4.756 7.437 29.952 1114 HB2 ALA 133 2HB ALA 133 -4.924 9.116 30.468 1115 HB3 ALA 133 3HB ALA 133 -3.360 8.515 29.918 1116 H ALA 134 H ALA 134 -3.138 5.513 31.315 1117 HA ALA 134 HA ALA 134 -5.544 4.090 31.763 1118 HB1 ALA 134 1HB ALA 134 -2.690 3.232 31.402 1119 HB2 ALA 134 2HB ALA 134 -3.986 2.072 31.696 1120 HB3 ALA 134 3HB ALA 134 -4.033 3.104 30.266 1121 H LEU 135 H LEU 135 -3.019 5.144 33.853 1122 HA LEU 135 HA LEU 135 -3.161 3.249 35.900 1123 HB2 LEU 135 2HB LEU 135 -1.575 5.274 35.545 1124 HB3 LEU 135 3HB LEU 135 -2.783 6.161 36.471 1125 HG LEU 135 HG LEU 135 -2.454 4.423 38.292 1126 HD11 LEU 135 1HD1 LEU 135 0.241 3.858 37.269 1127 HD12 LEU 135 2HD1 LEU 135 -1.074 3.052 36.414 1128 HD13 LEU 135 3HD1 LEU 135 -0.884 2.824 38.152 1129 HD21 LEU 135 3HD2 LEU 135 -1.582 6.588 38.645 1130 HD22 LEU 135 1HD2 LEU 135 -0.287 6.340 37.472 1131 HD23 LEU 135 2HD2 LEU 135 -0.263 5.473 39.008 1132 H GLU 136 H GLU 136 -5.321 5.824 35.027 1133 HA GLU 136 HA GLU 136 -6.715 5.965 37.509 1134 HB2 GLU 136 2HB GLU 136 -7.205 6.965 34.734 1135 HB3 GLU 136 3HB GLU 136 -8.532 6.972 35.887 1136 HG2 GLU 136 2HG GLU 136 -5.869 8.255 36.427 1137 HG3 GLU 136 3HG GLU 136 -7.235 9.108 35.709 1138 H HIS 137 H HIS 137 -8.219 4.654 38.308 1139 HA HIS 137 HA HIS 137 -8.994 2.295 36.882 1140 HB2 HIS 137 2HB HIS 137 -8.619 2.589 39.427 1141 HB3 HIS 137 3HB HIS 137 -10.263 3.221 39.446 1142 HD1 HIS 137 HD1 HIS 137 -11.806 1.461 40.207 1143 HD2 HIS 137 HD2 HIS 137 -8.779 -0.083 37.816 1144 HE1 HIS 137 HE1 HIS 137 -12.290 -1.000 40.015 1145 H HIS 138 H HIS 138 -10.674 5.219 37.982 1146 HA HIS 138 HA HIS 138 -13.064 4.401 36.504 1147 HB2 HIS 138 2HB HIS 138 -12.539 6.524 38.574 1148 HB3 HIS 138 3HB HIS 138 -14.013 6.522 37.611 1149 HD1 HIS 138 HD1 HIS 138 -14.812 3.618 37.644 1150 HD2 HIS 138 HD2 HIS 138 -13.320 5.584 40.986 1151 HE1 HIS 138 HE1 HIS 138 -15.633 2.300 39.621 Start of MODEL 17 1 H ALA 2 H ALA 2 9.403 -8.794 -4.090 2 HA ALA 2 HA ALA 2 8.541 -6.008 -4.379 3 HB1 ALA 2 1HB ALA 2 7.011 -8.576 -4.783 4 HB2 ALA 2 2HB ALA 2 6.376 -6.952 -5.050 5 HB3 ALA 2 3HB ALA 2 7.698 -7.556 -6.048 6 H PHE 3 H PHE 3 6.835 -5.160 -3.093 7 HA PHE 3 HA PHE 3 6.848 -6.226 -0.377 8 HB2 PHE 3 2HB PHE 3 7.345 -3.892 -0.494 9 HB3 PHE 3 3HB PHE 3 5.960 -3.585 -1.537 10 HD1 PHE 3 HD2 PHE 3 6.356 -5.393 1.703 11 HD2 PHE 3 HD1 PHE 3 4.441 -2.258 -0.447 12 HE1 PHE 3 HE2 PHE 3 4.988 -4.877 3.681 13 HE2 PHE 3 HE1 PHE 3 3.070 -1.736 1.528 14 HZ PHE 3 HZ PHE 3 3.341 -3.047 3.595 15 H SER 4 H SER 4 5.062 -6.937 0.695 16 HA SER 4 HA SER 4 2.453 -6.762 -0.606 17 HB2 SER 4 2HB SER 4 3.760 -8.945 -1.209 18 HB3 SER 4 3HB SER 4 3.334 -9.439 0.429 19 HG SER 4 HG SER 4 1.653 -8.901 -1.763 20 H SER 5 H SER 5 1.092 -6.016 0.865 21 HA SER 5 HA SER 5 1.609 -5.749 3.577 22 HB2 SER 5 2HB SER 5 -0.917 -5.442 3.773 23 HB3 SER 5 3HB SER 5 -0.090 -4.382 2.632 24 HG SER 5 HG SER 5 -2.129 -5.828 2.087 25 H GLU 6 H GLU 6 0.367 -8.459 1.809 26 HA GLU 6 HA GLU 6 -0.840 -9.840 3.967 27 HB2 GLU 6 2HB GLU 6 -0.927 -11.730 2.518 28 HB3 GLU 6 3HB GLU 6 -1.202 -10.309 1.521 29 HG2 GLU 6 2HG GLU 6 1.369 -10.446 1.115 30 HG3 GLU 6 3HG GLU 6 1.161 -12.119 1.628 31 H GLN 7 H GLN 7 2.439 -9.644 2.759 32 HA GLN 7 HA GLN 7 3.484 -11.864 4.170 33 HB2 GLN 7 2HB GLN 7 4.535 -9.634 2.594 34 HB3 GLN 7 3HB GLN 7 5.605 -10.126 3.900 35 HG2 GLN 7 2HG GLN 7 5.135 -12.526 2.957 36 HG3 GLN 7 3HG GLN 7 4.730 -11.634 1.492 37 HE21 GLN 7 1HE2 GLN 7 6.326 -11.012 0.197 38 HE22 GLN 7 2HE2 GLN 7 8.010 -11.085 0.577 39 H PHE 8 H PHE 8 3.512 -8.377 4.885 40 HA PHE 8 HA PHE 8 4.862 -8.503 7.319 41 HB2 PHE 8 2HB PHE 8 4.331 -6.417 6.039 42 HB3 PHE 8 3HB PHE 8 2.669 -6.549 6.604 43 HD1 PHE 8 HD2 PHE 8 6.052 -6.790 8.169 44 HD2 PHE 8 HD1 PHE 8 2.156 -5.079 8.276 45 HE1 PHE 8 HE2 PHE 8 6.654 -5.556 10.211 46 HE2 PHE 8 HE1 PHE 8 2.752 -3.842 10.317 47 HZ PHE 8 HZ PHE 8 5.003 -4.080 11.288 48 H THR 9 H THR 9 1.386 -8.692 6.641 49 HA THR 9 HA THR 9 0.597 -8.915 9.361 50 HB THR 9 HB THR 9 -0.898 -9.789 6.880 51 HG1 THR 9 HG1 THR 9 -1.048 -7.702 6.587 52 HG21 THR 9 3HG2 THR 9 -2.900 -9.563 8.288 53 HG22 THR 9 1HG2 THR 9 -1.876 -9.213 9.680 54 HG23 THR 9 2HG2 THR 9 -1.805 -10.798 8.909 55 H THR 10 H THR 10 0.948 -11.321 6.760 56 HA THR 10 HA THR 10 0.226 -13.580 8.218 57 HB THR 10 HB THR 10 2.189 -13.331 5.934 58 HG1 THR 10 HG1 THR 10 0.397 -13.982 4.708 59 HG21 THR 10 3HG2 THR 10 1.290 -15.667 7.512 60 HG22 THR 10 1HG2 THR 10 2.787 -15.414 6.614 61 HG23 THR 10 2HG2 THR 10 1.311 -15.863 5.760 62 H LYS 11 H LYS 11 3.381 -12.015 7.870 63 HA LYS 11 HA LYS 11 4.752 -13.980 9.449 64 HB2 LYS 11 2HB LYS 11 5.521 -11.266 8.389 65 HB3 LYS 11 3HB LYS 11 6.595 -12.208 9.415 66 HG2 LYS 11 2HG LYS 11 6.146 -14.079 7.637 67 HG3 LYS 11 3HG LYS 11 5.730 -12.704 6.612 68 HD2 LYS 11 2HD LYS 11 8.282 -12.714 8.180 69 HD3 LYS 11 3HD LYS 11 8.174 -13.570 6.640 70 HE2 LYS 11 2HE LYS 11 7.340 -11.428 5.626 71 HE3 LYS 11 3HE LYS 11 7.734 -10.633 7.150 72 HZ1 LYS 11 3HZ LYS 11 9.784 -10.391 6.386 73 HZ2 LYS 11 1HZ LYS 11 9.448 -11.308 5.005 74 HZ3 LYS 11 2HZ LYS 11 9.980 -12.071 6.417 75 H LEU 12 H LEU 12 3.109 -10.972 10.054 76 HA LEU 12 HA LEU 12 4.219 -10.364 12.569 77 HB2 LEU 12 2HB LEU 12 1.862 -9.553 11.009 78 HB3 LEU 12 3HB LEU 12 1.700 -9.377 12.755 79 HG LEU 12 HG LEU 12 3.953 -8.169 11.159 80 HD11 LEU 12 1HD1 LEU 12 2.168 -6.994 10.310 81 HD12 LEU 12 2HD1 LEU 12 2.575 -6.031 11.730 82 HD13 LEU 12 3HD1 LEU 12 1.218 -7.156 11.787 83 HD21 LEU 12 3HD2 LEU 12 3.693 -8.602 13.870 84 HD22 LEU 12 1HD2 LEU 12 3.162 -6.933 13.667 85 HD23 LEU 12 2HD2 LEU 12 4.758 -7.425 13.101 86 H ASN 13 H ASN 13 1.233 -12.099 11.705 87 HA ASN 13 HA ASN 13 0.516 -12.735 14.365 88 HB2 ASN 13 2HB ASN 13 -1.077 -14.297 13.367 89 HB3 ASN 13 3HB ASN 13 -1.090 -12.768 12.492 90 HD21 ASN 13 1HD2 ASN 13 -1.636 -13.339 10.494 91 HD22 ASN 13 2HD2 ASN 13 -0.804 -14.504 9.527 92 H THR 14 H THR 14 2.932 -13.951 12.326 93 HA THR 14 HA THR 14 3.165 -16.404 13.944 94 HB THR 14 HB THR 14 4.674 -17.191 12.037 95 HG1 THR 14 HG1 THR 14 4.643 -16.067 10.178 96 HG21 THR 14 3HG2 THR 14 2.858 -18.421 11.646 97 HG22 THR 14 1HG2 THR 14 2.262 -17.144 10.587 98 HG23 THR 14 2HG2 THR 14 1.816 -17.155 12.293 99 H LEU 15 H LEU 15 4.174 -13.582 14.415 100 HA LEU 15 HA LEU 15 7.005 -13.647 14.136 101 HB2 LEU 15 2HB LEU 15 5.000 -11.893 15.387 102 HB3 LEU 15 3HB LEU 15 6.597 -11.862 16.131 103 HG LEU 15 HG LEU 15 5.981 -11.252 13.240 104 HD11 LEU 15 1HD1 LEU 15 5.502 -9.647 15.373 105 HD12 LEU 15 2HD1 LEU 15 5.899 -9.071 13.755 106 HD13 LEU 15 3HD1 LEU 15 7.163 -9.206 14.978 107 HD21 LEU 15 3HD2 LEU 15 8.557 -11.282 14.799 108 HD22 LEU 15 1HD2 LEU 15 8.364 -10.462 13.249 109 HD23 LEU 15 2HD2 LEU 15 8.154 -12.210 13.353 110 H GLU 16 H GLU 16 8.589 -14.156 15.604 111 HA GLU 16 HA GLU 16 7.721 -15.338 18.154 112 HB2 GLU 16 2HB GLU 16 9.337 -16.554 15.982 113 HB3 GLU 16 3HB GLU 16 9.872 -16.858 17.629 114 HG2 GLU 16 2HG GLU 16 7.562 -17.655 18.146 115 HG3 GLU 16 3HG GLU 16 7.199 -17.524 16.426 116 H ASP 17 H ASP 17 9.599 -15.613 19.689 117 HA ASP 17 HA ASP 17 11.145 -13.140 19.680 118 HB2 ASP 17 2HB ASP 17 11.722 -13.892 22.045 119 HB3 ASP 17 3HB ASP 17 10.031 -13.508 21.738 120 H SER 18 H SER 18 12.690 -13.685 18.089 121 HA SER 18 HA SER 18 14.885 -15.294 19.135 122 HB2 SER 18 2HB SER 18 14.237 -17.032 17.823 123 HB3 SER 18 3HB SER 18 13.244 -16.008 16.785 124 HG SER 18 HG SER 18 16.026 -16.478 16.665 125 H GLN 19 H GLN 19 16.815 -14.393 18.741 126 HA GLN 19 HA GLN 19 17.106 -11.815 17.809 127 HB2 GLN 19 2HB GLN 19 19.028 -14.090 18.137 128 HB3 GLN 19 3HB GLN 19 19.574 -12.584 17.412 129 HG2 GLN 19 2HG GLN 19 18.104 -12.448 19.987 130 HG3 GLN 19 3HG GLN 19 19.766 -13.036 19.999 131 HE21 GLN 19 1HE2 GLN 19 17.690 -10.323 19.297 132 HE22 GLN 19 2HE2 GLN 19 18.930 -9.121 19.297 133 H GLU 20 H GLU 20 17.336 -14.845 16.026 134 HA GLU 20 HA GLU 20 18.210 -13.607 13.592 135 HB2 GLU 20 2HB GLU 20 18.615 -16.021 14.284 136 HB3 GLU 20 3HB GLU 20 16.934 -16.326 13.869 137 HG2 GLU 20 2HG GLU 20 18.359 -16.968 12.042 138 HG3 GLU 20 3HG GLU 20 17.378 -15.580 11.575 139 H SER 21 H SER 21 15.135 -14.506 15.002 140 HA SER 21 HA SER 21 13.567 -14.274 12.659 141 HB2 SER 21 2HB SER 21 12.850 -14.046 15.587 142 HB3 SER 21 3HB SER 21 11.656 -14.018 14.290 143 HG SER 21 HG SER 21 11.798 -16.116 14.909 144 H ILE 22 H ILE 22 14.185 -12.000 15.325 145 HA ILE 22 HA ILE 22 12.650 -9.872 14.432 146 HB ILE 22 HB ILE 22 15.307 -9.692 15.856 147 HG12 ILE 22 2HG1 ILE 22 13.663 -11.151 17.001 148 HG13 ILE 22 3HG1 ILE 22 14.016 -9.690 17.917 149 HG21 ILE 22 1HG2 ILE 22 14.453 -7.543 16.686 150 HG22 ILE 22 2HG2 ILE 22 14.617 -7.559 14.930 151 HG23 ILE 22 3HG2 ILE 22 13.025 -7.731 15.669 152 HD11 ILE 22 3HD1 ILE 22 11.780 -9.229 16.196 153 HD12 ILE 22 1HD1 ILE 22 11.513 -10.685 17.154 154 HD13 ILE 22 2HD1 ILE 22 11.874 -9.156 17.955 155 H SER 23 H SER 23 15.946 -10.784 13.547 156 HA SER 23 HA SER 23 16.389 -8.475 11.915 157 HB2 SER 23 2HB SER 23 18.225 -9.787 12.989 158 HB3 SER 23 3HB SER 23 17.876 -11.112 11.879 159 HG SER 23 HG SER 23 18.393 -8.530 10.888 160 H SER 24 H SER 24 15.352 -11.795 11.346 161 HA SER 24 HA SER 24 15.510 -11.904 8.584 162 HB2 SER 24 2HB SER 24 13.577 -13.169 10.523 163 HB3 SER 24 3HB SER 24 13.514 -13.501 8.792 164 HG SER 24 HG SER 24 15.664 -14.247 8.930 165 H ALA 25 H ALA 25 12.934 -10.586 10.620 166 HA ALA 25 HA ALA 25 11.330 -9.833 8.336 167 HB1 ALA 25 1HB ALA 25 11.018 -9.417 11.298 168 HB2 ALA 25 2HB ALA 25 9.902 -8.734 10.115 169 HB3 ALA 25 3HB ALA 25 10.094 -10.483 10.239 170 H SER 26 H SER 26 13.400 -8.236 10.712 171 HA SER 26 HA SER 26 12.851 -5.584 10.107 172 HB2 SER 26 2HB SER 26 14.285 -6.401 11.997 173 HB3 SER 26 3HB SER 26 15.574 -6.688 10.828 174 HG SER 26 HG SER 26 15.931 -4.604 10.697 175 H LYS 27 H LYS 27 15.201 -7.780 8.613 176 HA LYS 27 HA LYS 27 16.411 -5.986 6.866 177 HB2 LYS 27 2HB LYS 27 17.306 -7.836 5.776 178 HB3 LYS 27 3HB LYS 27 16.964 -8.467 7.381 179 HG2 LYS 27 2HG LYS 27 14.691 -9.168 6.304 180 HG3 LYS 27 3HG LYS 27 15.593 -9.019 4.794 181 HD2 LYS 27 2HD LYS 27 17.262 -10.436 6.544 182 HD3 LYS 27 3HD LYS 27 15.650 -11.124 6.756 183 HE2 LYS 27 2HE LYS 27 16.436 -10.627 3.968 184 HE3 LYS 27 3HE LYS 27 17.397 -11.846 4.805 185 HZ1 LYS 27 3HZ LYS 27 14.572 -12.123 5.246 186 HZ2 LYS 27 1HZ LYS 27 15.711 -13.283 4.778 187 HZ3 LYS 27 2HZ LYS 27 15.003 -12.277 3.617 188 H TRP 28 H TRP 28 13.332 -7.627 6.653 189 HA TRP 28 HA TRP 28 12.885 -7.004 3.892 190 HB2 TRP 28 2HB TRP 28 11.813 -8.926 5.080 191 HB3 TRP 28 3HB TRP 28 10.851 -7.768 5.996 192 HD1 TRP 28 HD1 TRP 28 11.540 -8.165 2.183 193 HE1 TRP 28 HE1 TRP 28 9.275 -8.057 0.965 194 HE3 TRP 28 HE3 TRP 28 8.465 -7.616 6.231 195 HZ2 TRP 28 HZ2 TRP 28 6.546 -7.777 1.631 196 HZ3 TRP 28 HZ3 TRP 28 6.041 -7.435 5.854 197 HH2 TRP 28 HH2 TRP 28 5.103 -7.514 3.601 198 H LEU 29 H LEU 29 11.532 -5.756 6.945 199 HA LEU 29 HA LEU 29 9.971 -3.729 5.810 200 HB2 LEU 29 2HB LEU 29 11.213 -4.093 8.515 201 HB3 LEU 29 3HB LEU 29 10.291 -2.643 8.121 202 HG LEU 29 HG LEU 29 8.997 -5.278 7.653 203 HD11 LEU 29 1HD1 LEU 29 10.220 -5.111 9.989 204 HD12 LEU 29 2HD1 LEU 29 8.603 -5.796 9.836 205 HD13 LEU 29 3HD1 LEU 29 8.807 -4.133 10.387 206 HD21 LEU 29 3HD2 LEU 29 7.814 -2.858 8.954 207 HD22 LEU 29 1HD2 LEU 29 7.034 -4.095 7.968 208 HD23 LEU 29 2HD2 LEU 29 8.077 -2.892 7.210 209 H LEU 30 H LEU 30 13.371 -3.859 6.604 210 HA LEU 30 HA LEU 30 13.994 -1.143 6.599 211 HB2 LEU 30 2HB LEU 30 15.393 -3.521 6.768 212 HB3 LEU 30 3HB LEU 30 16.008 -2.783 5.290 213 HG LEU 30 HG LEU 30 17.462 -2.164 7.067 214 HD11 LEU 30 1HD1 LEU 30 17.402 0.204 6.937 215 HD12 LEU 30 2HD1 LEU 30 15.666 0.210 6.627 216 HD13 LEU 30 3HD1 LEU 30 16.778 -0.410 5.406 217 HD21 LEU 30 3HD2 LEU 30 14.933 -1.474 8.531 218 HD22 LEU 30 1HD2 LEU 30 16.499 -0.822 9.012 219 HD23 LEU 30 2HD2 LEU 30 16.230 -2.565 9.020 220 H LEU 31 H LEU 31 13.292 -3.311 3.970 221 HA LEU 31 HA LEU 31 14.146 -1.347 1.984 222 HB2 LEU 31 2HB LEU 31 12.939 -4.070 1.535 223 HB3 LEU 31 3HB LEU 31 13.753 -3.058 0.344 224 HG LEU 31 HG LEU 31 15.052 -4.407 2.711 225 HD11 LEU 31 1HD1 LEU 31 14.713 -6.132 1.234 226 HD12 LEU 31 2HD1 LEU 31 16.274 -5.521 0.690 227 HD13 LEU 31 3HD1 LEU 31 14.805 -5.085 -0.182 228 HD21 LEU 31 3HD2 LEU 31 16.733 -2.984 2.453 229 HD22 LEU 31 1HD2 LEU 31 15.865 -2.160 1.157 230 HD23 LEU 31 2HD2 LEU 31 16.921 -3.523 0.784 231 H GLN 32 H GLN 32 11.678 -1.296 3.854 232 HA GLN 32 HA GLN 32 9.703 -0.749 1.737 233 HB2 GLN 32 2HB GLN 32 9.174 -1.568 4.598 234 HB3 GLN 32 3HB GLN 32 7.949 -1.229 3.382 235 HG2 GLN 32 2HG GLN 32 9.930 -3.492 3.380 236 HG3 GLN 32 3HG GLN 32 8.187 -3.597 3.617 237 HE21 GLN 32 1HE2 GLN 32 9.634 -5.028 1.676 238 HE22 GLN 32 2HE2 GLN 32 9.108 -4.501 0.117 239 H TYR 33 H TYR 33 11.733 1.064 2.768 240 HA TYR 33 HA TYR 33 10.784 2.867 4.663 241 HB2 TYR 33 2HB TYR 33 12.438 4.368 3.892 242 HB3 TYR 33 3HB TYR 33 13.097 2.765 3.586 243 HD1 TYR 33 HD2 TYR 33 12.544 1.808 1.170 244 HD2 TYR 33 HD1 TYR 33 12.565 5.936 2.203 245 HE1 TYR 33 HE2 TYR 33 12.879 2.392 -1.195 246 HE2 TYR 33 HE1 TYR 33 12.899 6.531 -0.160 247 HH TYR 33 HH TYR 33 14.025 5.014 -2.299 248 H ARG 34 H ARG 34 9.858 2.392 1.362 249 HA ARG 34 HA ARG 34 8.645 4.944 0.963 250 HB2 ARG 34 2HB ARG 34 7.642 3.925 -1.028 251 HB3 ARG 34 3HB ARG 34 9.360 3.564 -0.924 252 HG2 ARG 34 2HG ARG 34 8.752 1.348 0.058 253 HG3 ARG 34 3HG ARG 34 7.065 1.725 -0.300 254 HD2 ARG 34 2HD ARG 34 8.020 0.353 -2.061 255 HD3 ARG 34 3HD ARG 34 7.632 1.960 -2.674 256 HE ARG 34 HE ARG 34 10.321 1.874 -1.819 257 HH11 ARG 34 1HH1 ARG 34 8.235 0.748 -4.369 258 HH12 ARG 34 2HH1 ARG 34 9.499 0.685 -5.552 259 HH21 ARG 34 1HH2 ARG 34 11.993 1.795 -3.368 260 HH22 ARG 34 2HH2 ARG 34 11.637 1.279 -4.981 261 H ASP 35 H ASP 35 7.621 1.917 2.343 262 HA ASP 35 HA ASP 35 4.841 2.821 2.474 263 HB2 ASP 35 2HB ASP 35 5.802 0.193 3.555 264 HB3 ASP 35 3HB ASP 35 4.225 0.612 2.890 265 H ALA 36 H ALA 36 6.709 4.261 4.010 266 HA ALA 36 HA ALA 36 7.076 3.494 6.635 267 HB1 ALA 36 1HB ALA 36 8.093 5.467 6.547 268 HB2 ALA 36 2HB ALA 36 7.140 5.966 5.149 269 HB3 ALA 36 3HB ALA 36 6.514 6.217 6.779 270 HA PRO 37 HA PRO 37 2.831 5.444 7.848 271 HB2 PRO 37 2HB PRO 37 1.174 6.202 5.836 272 HB3 PRO 37 3HB PRO 37 2.380 7.282 6.545 273 HG2 PRO 37 2HG PRO 37 2.521 5.687 4.016 274 HG3 PRO 37 3HG PRO 37 3.029 7.359 4.314 275 HD2 PRO 37 2HD PRO 37 4.780 5.294 4.245 276 HD3 PRO 37 3HD PRO 37 5.018 6.714 5.284 277 H LYS 38 H LYS 38 2.884 3.555 4.867 278 HA LYS 38 HA LYS 38 0.403 2.268 5.180 279 HB2 LYS 38 2HB LYS 38 2.831 1.877 3.550 280 HB3 LYS 38 3HB LYS 38 1.879 0.424 3.828 281 HG2 LYS 38 2HG LYS 38 0.801 1.115 1.982 282 HG3 LYS 38 3HG LYS 38 -0.079 2.127 3.131 283 HD2 LYS 38 2HD LYS 38 0.526 3.710 1.593 284 HD3 LYS 38 3HD LYS 38 1.923 3.785 2.669 285 HE2 LYS 38 2HE LYS 38 2.969 2.032 1.123 286 HE3 LYS 38 3HE LYS 38 1.685 2.449 -0.010 287 HZ1 LYS 38 3HZ LYS 38 4.064 3.701 0.154 288 HZ2 LYS 38 1HZ LYS 38 3.081 4.725 1.075 289 HZ3 LYS 38 2HZ LYS 38 2.668 4.372 -0.527 290 H VAL 39 H VAL 39 3.683 1.086 5.936 291 HA VAL 39 HA VAL 39 2.824 -1.288 7.197 292 HB VAL 39 HB VAL 39 5.407 0.205 7.674 293 HG11 VAL 39 1HG1 VAL 39 4.406 -1.976 9.007 294 HG12 VAL 39 2HG1 VAL 39 5.423 -2.710 7.766 295 HG13 VAL 39 3HG1 VAL 39 6.109 -1.536 8.889 296 HG21 VAL 39 3HG2 VAL 39 4.411 -1.106 5.323 297 HG22 VAL 39 1HG2 VAL 39 5.935 -0.251 5.565 298 HG23 VAL 39 2HG2 VAL 39 5.817 -1.969 5.946 299 H ALA 40 H ALA 40 3.650 1.914 8.461 300 HA ALA 40 HA ALA 40 3.489 1.303 11.193 301 HB1 ALA 40 1HB ALA 40 3.184 3.841 9.632 302 HB2 ALA 40 2HB ALA 40 2.933 3.813 11.378 303 HB3 ALA 40 3HB ALA 40 4.493 3.341 10.704 304 H GLU 41 H GLU 41 1.015 2.422 8.912 305 HA GLU 41 HA GLU 41 -1.064 2.677 10.807 306 HB2 GLU 41 2HB GLU 41 -1.030 3.663 8.490 307 HB3 GLU 41 3HB GLU 41 -1.372 2.055 7.868 308 HG2 GLU 41 2HG GLU 41 -3.449 2.032 9.227 309 HG3 GLU 41 3HG GLU 41 -3.120 3.705 9.675 310 H MET 42 H MET 42 -0.296 0.066 8.509 311 HA MET 42 HA MET 42 -2.354 -1.670 9.299 312 HB2 MET 42 2HB MET 42 -0.486 -1.701 7.331 313 HB3 MET 42 3HB MET 42 0.174 -2.916 8.417 314 HG2 MET 42 2HG MET 42 -2.638 -2.939 7.351 315 HG3 MET 42 3HG MET 42 -1.292 -3.828 6.642 316 HE1 MET 42 3HE MET 42 0.255 -4.669 9.454 317 HE2 MET 42 1HE MET 42 -0.367 -6.318 9.520 318 HE3 MET 42 2HE MET 42 0.111 -5.617 7.974 319 H TRP 43 H TRP 43 0.924 -1.219 10.505 320 HA TRP 43 HA TRP 43 1.019 -3.481 12.181 321 HB2 TRP 43 2HB TRP 43 3.017 -2.186 11.548 322 HB3 TRP 43 3HB TRP 43 2.434 -0.825 12.501 323 HD1 TRP 43 HD1 TRP 43 3.886 -4.356 12.914 324 HE1 TRP 43 HE1 TRP 43 4.803 -4.585 15.308 325 HE3 TRP 43 HE3 TRP 43 2.224 0.075 14.845 326 HZ2 TRP 43 HZ2 TRP 43 4.819 -3.085 17.699 327 HZ3 TRP 43 HZ3 TRP 43 2.732 0.603 17.195 328 HH2 TRP 43 HH2 TRP 43 4.002 -0.946 18.590 329 H LYS 44 H LYS 44 0.284 -0.079 12.955 330 HA LYS 44 HA LYS 44 -0.324 -0.444 15.650 331 HB2 LYS 44 2HB LYS 44 -0.016 1.770 14.768 332 HB3 LYS 44 3HB LYS 44 -1.365 1.572 13.657 333 HG2 LYS 44 2HG LYS 44 -2.120 1.178 16.439 334 HG3 LYS 44 3HG LYS 44 -1.462 2.783 16.115 335 HD2 LYS 44 2HD LYS 44 -3.084 2.618 14.025 336 HD3 LYS 44 3HD LYS 44 -3.935 1.492 15.085 337 HE2 LYS 44 2HE LYS 44 -4.938 3.341 15.871 338 HE3 LYS 44 3HE LYS 44 -3.446 3.552 16.785 339 HZ1 LYS 44 3HZ LYS 44 -4.496 5.110 14.613 340 HZ2 LYS 44 1HZ LYS 44 -2.874 4.681 14.389 341 HZ3 LYS 44 2HZ LYS 44 -3.342 5.523 15.780 342 H GLU 45 H GLU 45 -2.617 -0.210 12.923 343 HA GLU 45 HA GLU 45 -4.936 -0.783 14.325 344 HB2 GLU 45 2HB GLU 45 -5.946 -1.316 12.217 345 HB3 GLU 45 3HB GLU 45 -4.804 -0.006 11.954 346 HG2 GLU 45 2HG GLU 45 -3.168 -1.605 11.094 347 HG3 GLU 45 3HG GLU 45 -4.320 -2.914 11.348 348 H TYR 46 H TYR 46 -2.544 -2.975 12.956 349 HA TYR 46 HA TYR 46 -4.039 -5.353 13.452 350 HB2 TYR 46 2HB TYR 46 -2.413 -5.576 11.780 351 HB3 TYR 46 3HB TYR 46 -1.175 -4.779 12.745 352 HD1 TYR 46 HD1 TYR 46 0.041 -6.001 14.467 353 HD2 TYR 46 HD2 TYR 46 -2.914 -7.927 12.088 354 HE1 TYR 46 HE1 TYR 46 0.884 -8.191 15.204 355 HE2 TYR 46 HE2 TYR 46 -2.080 -10.122 12.818 356 HH TYR 46 HH TYR 46 -0.784 -10.999 14.901 357 H MET 47 H MET 47 -1.850 -3.393 15.314 358 HA MET 47 HA MET 47 -1.430 -5.397 17.349 359 HB2 MET 47 2HB MET 47 -0.724 -2.462 17.217 360 HB3 MET 47 3HB MET 47 -0.305 -3.511 18.565 361 HG2 MET 47 2HG MET 47 0.505 -4.338 15.831 362 HG3 MET 47 3HG MET 47 1.384 -3.025 16.611 363 HE1 MET 47 3HE MET 47 1.928 -4.378 19.974 364 HE2 MET 47 1HE MET 47 3.446 -4.189 19.097 365 HE3 MET 47 2HE MET 47 2.131 -3.044 18.838 366 H LEU 48 H LEU 48 -3.712 -2.911 16.677 367 HA LEU 48 HA LEU 48 -4.712 -2.912 19.427 368 HB2 LEU 48 2HB LEU 48 -5.600 -1.277 17.055 369 HB3 LEU 48 3HB LEU 48 -6.136 -1.071 18.721 370 HG LEU 48 HG LEU 48 -3.282 -0.684 17.835 371 HD11 LEU 48 1HD1 LEU 48 -5.318 1.474 18.331 372 HD12 LEU 48 2HD1 LEU 48 -4.906 0.879 16.723 373 HD13 LEU 48 3HD1 LEU 48 -3.673 1.651 17.721 374 HD21 LEU 48 3HD2 LEU 48 -3.886 0.838 20.090 375 HD22 LEU 48 1HD2 LEU 48 -2.916 -0.633 20.025 376 HD23 LEU 48 2HD2 LEU 48 -4.641 -0.730 20.378 377 H ARG 49 H ARG 49 -4.970 -5.270 17.776 378 HA ARG 49 HA ARG 49 -7.887 -5.363 17.388 379 HB2 ARG 49 2HB ARG 49 -5.608 -6.725 16.031 380 HB3 ARG 49 3HB ARG 49 -7.130 -7.596 16.164 381 HG2 ARG 49 2HG ARG 49 -8.280 -6.006 14.880 382 HG3 ARG 49 3HG ARG 49 -6.985 -4.818 15.044 383 HD2 ARG 49 2HD ARG 49 -6.490 -5.550 12.956 384 HD3 ARG 49 3HD ARG 49 -5.603 -6.771 13.869 385 HE ARG 49 HE ARG 49 -8.221 -7.681 13.465 386 HH11 ARG 49 1HH1 ARG 49 -5.326 -7.007 11.653 387 HH12 ARG 49 2HH1 ARG 49 -5.663 -8.185 10.428 388 HH21 ARG 49 1HH2 ARG 49 -8.676 -9.234 11.858 389 HH22 ARG 49 2HH2 ARG 49 -7.569 -9.450 10.545 390 HA PRO 50 HA PRO 50 -8.336 -8.158 20.745 391 HB2 PRO 50 2HB PRO 50 -10.435 -9.651 19.887 392 HB3 PRO 50 3HB PRO 50 -10.604 -7.976 20.427 393 HG2 PRO 50 2HG PRO 50 -10.433 -9.060 17.642 394 HG3 PRO 50 3HG PRO 50 -11.506 -7.806 18.291 395 HD2 PRO 50 2HD PRO 50 -9.278 -7.222 16.868 396 HD3 PRO 50 3HD PRO 50 -9.883 -6.175 18.167 397 H SER 51 H SER 51 -8.540 -9.736 17.555 398 HA SER 51 HA SER 51 -8.033 -12.339 18.276 399 HB2 SER 51 2HB SER 51 -7.169 -10.816 15.813 400 HB3 SER 51 3HB SER 51 -6.968 -12.560 15.985 401 HG SER 51 HG SER 51 -8.999 -11.584 14.970 402 H VAL 52 H VAL 52 -5.680 -9.761 17.669 403 HA VAL 52 HA VAL 52 -3.363 -11.333 17.975 404 HB VAL 52 HB VAL 52 -3.644 -8.387 18.577 405 HG11 VAL 52 1HG1 VAL 52 -1.551 -9.654 19.302 406 HG12 VAL 52 2HG1 VAL 52 -1.203 -9.826 17.580 407 HG13 VAL 52 3HG1 VAL 52 -1.320 -8.220 18.302 408 HG21 VAL 52 3HG2 VAL 52 -3.618 -9.893 16.039 409 HG22 VAL 52 1HG2 VAL 52 -4.314 -8.318 16.420 410 HG23 VAL 52 2HG2 VAL 52 -2.585 -8.465 16.106 411 H ASN 53 H ASN 53 -2.377 -12.132 19.717 412 HA ASN 53 HA ASN 53 -3.510 -11.570 22.341 413 HB2 ASN 53 2HB ASN 53 -1.786 -13.720 21.190 414 HB3 ASN 53 3HB ASN 53 -1.711 -13.426 22.924 415 HD21 ASN 53 1HD2 ASN 53 -4.227 -12.867 23.617 416 HD22 ASN 53 2HD2 ASN 53 -5.275 -14.199 23.277 417 H THR 54 H THR 54 -1.959 -11.388 24.203 418 HA THR 54 HA THR 54 -0.450 -9.088 24.050 419 HB THR 54 HB THR 54 0.810 -10.252 26.103 420 HG1 THR 54 HG1 THR 54 0.040 -12.220 26.312 421 HG21 THR 54 3HG2 THR 54 -1.984 -9.727 26.802 422 HG22 THR 54 1HG2 THR 54 -1.250 -8.470 25.807 423 HG23 THR 54 2HG2 THR 54 -0.511 -8.923 27.343 424 H ARG 55 H ARG 55 0.658 -12.446 23.766 425 HA ARG 55 HA ARG 55 3.384 -12.065 23.667 426 HB2 ARG 55 2HB ARG 55 1.927 -14.234 23.495 427 HB3 ARG 55 3HB ARG 55 2.089 -13.980 21.763 428 HG2 ARG 55 2HG ARG 55 4.457 -14.178 21.873 429 HG3 ARG 55 3HG ARG 55 4.433 -14.152 23.638 430 HD2 ARG 55 2HD ARG 55 3.169 -16.269 23.622 431 HD3 ARG 55 3HD ARG 55 3.278 -16.300 21.863 432 HE ARG 55 HE ARG 55 5.443 -17.025 22.042 433 HH11 ARG 55 1HH1 ARG 55 4.389 -15.789 25.121 434 HH12 ARG 55 2HH1 ARG 55 5.795 -16.339 25.970 435 HH21 ARG 55 1HH2 ARG 55 7.299 -17.755 23.149 436 HH22 ARG 55 2HH2 ARG 55 7.450 -17.456 24.848 437 H ARG 56 H ARG 56 1.137 -12.052 20.898 438 HA ARG 56 HA ARG 56 2.959 -11.481 18.894 439 HB2 ARG 56 2HB ARG 56 0.042 -11.087 19.256 440 HB3 ARG 56 3HB ARG 56 0.806 -10.162 17.971 441 HG2 ARG 56 2HG ARG 56 1.285 -12.015 16.728 442 HG3 ARG 56 3HG ARG 56 1.379 -13.071 18.139 443 HD2 ARG 56 2HD ARG 56 -1.250 -11.851 17.496 444 HD3 ARG 56 3HD ARG 56 -0.667 -13.139 16.443 445 HE ARG 56 HE ARG 56 -0.544 -13.759 19.254 446 HH11 ARG 56 1HH1 ARG 56 -2.492 -13.825 16.370 447 HH12 ARG 56 2HH1 ARG 56 -3.511 -15.109 16.930 448 HH21 ARG 56 1HH2 ARG 56 -1.878 -15.451 20.003 449 HH22 ARG 56 2HH2 ARG 56 -3.161 -16.033 18.997 450 H LYS 57 H LYS 57 1.227 -9.253 21.031 451 HA LYS 57 HA LYS 57 2.100 -6.860 19.841 452 HB2 LYS 57 2HB LYS 57 1.064 -7.591 22.556 453 HB3 LYS 57 3HB LYS 57 1.696 -5.975 22.272 454 HG2 LYS 57 2HG LYS 57 -0.509 -5.630 21.825 455 HG3 LYS 57 3HG LYS 57 0.066 -6.056 20.211 456 HD2 LYS 57 2HD LYS 57 -0.675 -8.352 20.534 457 HD3 LYS 57 3HD LYS 57 -1.196 -7.969 22.177 458 HE2 LYS 57 2HE LYS 57 -2.289 -6.692 19.672 459 HE3 LYS 57 3HE LYS 57 -3.058 -8.016 20.546 460 HZ1 LYS 57 3HZ LYS 57 -2.704 -6.244 22.506 461 HZ2 LYS 57 1HZ LYS 57 -4.115 -6.345 21.577 462 HZ3 LYS 57 2HZ LYS 57 -2.933 -5.196 21.199 463 H LEU 58 H LEU 58 3.369 -8.600 22.681 464 HA LEU 58 HA LEU 58 5.481 -6.943 23.308 465 HB2 LEU 58 2HB LEU 58 4.777 -8.864 24.656 466 HB3 LEU 58 3HB LEU 58 5.425 -9.955 23.433 467 HG LEU 58 HG LEU 58 6.792 -9.530 25.574 468 HD11 LEU 58 1HD1 LEU 58 8.735 -10.077 24.450 469 HD12 LEU 58 2HD1 LEU 58 8.355 -9.043 23.073 470 HD13 LEU 58 3HD1 LEU 58 7.488 -10.562 23.300 471 HD21 LEU 58 3HD2 LEU 58 7.682 -7.104 24.035 472 HD22 LEU 58 1HD2 LEU 58 8.151 -7.603 25.660 473 HD23 LEU 58 2HD2 LEU 58 6.514 -7.022 25.355 474 H LEU 59 H LEU 59 5.413 -9.608 20.967 475 HA LEU 59 HA LEU 59 8.138 -9.337 20.201 476 HB2 LEU 59 2HB LEU 59 5.841 -10.580 18.696 477 HB3 LEU 59 3HB LEU 59 7.552 -10.802 18.338 478 HG LEU 59 HG LEU 59 6.070 -11.780 20.776 479 HD11 LEU 59 1HD1 LEU 59 5.581 -13.203 18.970 480 HD12 LEU 59 2HD1 LEU 59 6.888 -13.997 19.848 481 HD13 LEU 59 3HD1 LEU 59 7.232 -13.125 18.354 482 HD21 LEU 59 3HD2 LEU 59 8.983 -12.130 20.084 483 HD22 LEU 59 1HD2 LEU 59 8.148 -12.742 21.512 484 HD23 LEU 59 2HD2 LEU 59 8.367 -11.005 21.295 485 H GLY 60 H GLY 60 5.082 -8.177 18.823 486 HA2 GLY 60 2HA GLY 60 6.021 -7.066 16.465 487 HA3 GLY 60 3HA GLY 60 4.647 -6.451 17.373 488 H LEU 61 H LEU 61 5.957 -5.623 19.702 489 HA LEU 61 HA LEU 61 6.798 -3.054 18.981 490 HB2 LEU 61 2HB LEU 61 6.109 -4.311 21.308 491 HB3 LEU 61 3HB LEU 61 7.834 -4.032 21.539 492 HG LEU 61 HG LEU 61 5.714 -1.948 21.031 493 HD11 LEU 61 1HD1 LEU 61 7.433 -2.578 23.425 494 HD12 LEU 61 2HD1 LEU 61 5.684 -2.763 23.296 495 HD13 LEU 61 3HD1 LEU 61 6.405 -1.154 23.268 496 HD21 LEU 61 3HD2 LEU 61 7.844 -1.428 19.887 497 HD22 LEU 61 1HD2 LEU 61 8.677 -1.563 21.436 498 HD23 LEU 61 2HD2 LEU 61 7.468 -0.302 21.191 499 H TYR 62 H TYR 62 8.663 -5.934 19.855 500 HA TYR 62 HA TYR 62 11.201 -4.684 19.778 501 HB2 TYR 62 2HB TYR 62 10.189 -7.473 19.858 502 HB3 TYR 62 3HB TYR 62 11.830 -7.246 19.265 503 HD1 TYR 62 HD1 TYR 62 13.538 -6.195 20.744 504 HD2 TYR 62 HD2 TYR 62 9.670 -7.249 22.168 505 HE1 TYR 62 HE1 TYR 62 14.358 -6.055 23.058 506 HE2 TYR 62 HE2 TYR 62 10.479 -7.111 24.487 507 HH TYR 62 HH TYR 62 12.524 -7.197 25.730 508 H LEU 63 H LEU 63 9.210 -6.253 17.347 509 HA LEU 63 HA LEU 63 11.176 -6.421 15.323 510 HB2 LEU 63 2HB LEU 63 9.170 -7.737 15.193 511 HB3 LEU 63 3HB LEU 63 8.170 -6.286 15.177 512 HG LEU 63 HG LEU 63 8.590 -7.605 12.976 513 HD11 LEU 63 1HD1 LEU 63 7.891 -4.994 13.582 514 HD12 LEU 63 2HD1 LEU 63 7.680 -5.810 12.033 515 HD13 LEU 63 3HD1 LEU 63 9.120 -4.836 12.327 516 HD21 LEU 63 3HD2 LEU 63 11.153 -7.365 13.483 517 HD22 LEU 63 1HD2 LEU 63 10.940 -5.791 12.714 518 HD23 LEU 63 2HD2 LEU 63 10.548 -7.265 11.828 519 H MET 64 H MET 64 8.503 -4.095 15.753 520 HA MET 64 HA MET 64 9.302 -2.377 13.672 521 HB2 MET 64 2HB MET 64 7.659 -0.884 14.450 522 HB3 MET 64 3HB MET 64 7.046 -2.478 14.868 523 HG2 MET 64 2HG MET 64 6.664 -1.492 16.849 524 HG3 MET 64 3HG MET 64 8.352 -1.912 17.129 525 HE1 MET 64 3HE MET 64 7.117 1.706 18.537 526 HE2 MET 64 1HE MET 64 6.614 0.017 18.610 527 HE3 MET 64 2HE MET 64 8.229 0.479 19.147 528 H ASN 65 H ASN 65 10.253 -2.618 17.024 529 HA ASN 65 HA ASN 65 11.488 -0.079 17.247 530 HB2 ASN 65 2HB ASN 65 10.858 -1.432 19.206 531 HB3 ASN 65 3HB ASN 65 12.072 -2.630 18.767 532 HD21 ASN 65 1HD2 ASN 65 12.575 -1.984 21.100 533 HD22 ASN 65 2HD2 ASN 65 13.756 -0.737 21.295 534 H HIS 66 H HIS 66 12.761 -3.305 16.482 535 HA HIS 66 HA HIS 66 15.454 -2.501 16.198 536 HB2 HIS 66 2HB HIS 66 14.477 -4.878 16.457 537 HB3 HIS 66 3HB HIS 66 14.243 -4.820 14.713 538 HD1 HIS 66 HD1 HIS 66 17.067 -4.443 17.227 539 HD2 HIS 66 HD2 HIS 66 16.418 -5.589 13.287 540 HE1 HIS 66 HE1 HIS 66 19.287 -5.284 16.397 541 H VAL 67 H VAL 67 12.773 -2.750 13.919 542 HA VAL 67 HA VAL 67 14.251 -2.292 11.563 543 HB VAL 67 HB VAL 67 11.359 -1.605 12.106 544 HG11 VAL 67 1HG1 VAL 67 11.069 -1.696 9.705 545 HG12 VAL 67 2HG1 VAL 67 12.311 -0.510 10.111 546 HG13 VAL 67 3HG1 VAL 67 12.773 -2.093 9.486 547 HG21 VAL 67 3HG2 VAL 67 12.629 -4.114 12.054 548 HG22 VAL 67 1HG2 VAL 67 10.898 -3.778 12.056 549 HG23 VAL 67 2HG2 VAL 67 11.757 -3.965 10.528 550 H VAL 68 H VAL 68 12.417 -0.062 13.643 551 HA VAL 68 HA VAL 68 12.947 2.273 12.173 552 HB VAL 68 HB VAL 68 12.381 1.968 15.125 553 HG11 VAL 68 1HG1 VAL 68 12.296 4.417 13.367 554 HG12 VAL 68 2HG1 VAL 68 11.699 4.335 15.026 555 HG13 VAL 68 3HG1 VAL 68 13.417 4.113 14.694 556 HG21 VAL 68 3HG2 VAL 68 10.746 1.374 13.009 557 HG22 VAL 68 1HG2 VAL 68 10.202 1.809 14.629 558 HG23 VAL 68 2HG2 VAL 68 10.303 3.041 13.372 559 H GLN 69 H GLN 69 14.629 0.832 14.948 560 HA GLN 69 HA GLN 69 16.508 2.810 15.415 561 HB2 GLN 69 2HB GLN 69 16.431 -0.136 15.846 562 HB3 GLN 69 3HB GLN 69 17.979 0.679 16.026 563 HG2 GLN 69 2HG GLN 69 16.884 2.234 17.642 564 HG3 GLN 69 3HG GLN 69 15.446 1.217 17.553 565 HE21 GLN 69 1HE2 GLN 69 15.460 0.511 19.631 566 HE22 GLN 69 2HE2 GLN 69 16.694 -0.501 20.294 567 H GLN 70 H GLN 70 16.612 0.142 13.091 568 HA GLN 70 HA GLN 70 19.240 0.682 12.164 569 HB2 GLN 70 2HB GLN 70 16.931 -0.894 11.054 570 HB3 GLN 70 3HB GLN 70 18.425 -0.697 10.148 571 HG2 GLN 70 2HG GLN 70 18.439 -1.741 12.953 572 HG3 GLN 70 3HG GLN 70 18.127 -2.800 11.578 573 HE21 GLN 70 1HE2 GLN 70 19.770 -2.930 9.925 574 HE22 GLN 70 2HE2 GLN 70 21.429 -2.708 10.353 575 H ALA 71 H ALA 71 16.078 1.893 11.325 576 HA ALA 71 HA ALA 71 16.497 2.947 8.809 577 HB1 ALA 71 1HB ALA 71 14.517 3.966 9.100 578 HB2 ALA 71 2HB ALA 71 14.463 3.038 10.599 579 HB3 ALA 71 3HB ALA 71 15.009 4.715 10.619 580 H LYS 72 H LYS 72 17.425 4.280 11.945 581 HA LYS 72 HA LYS 72 18.216 6.823 11.168 582 HB2 LYS 72 2HB LYS 72 19.049 4.969 13.360 583 HB3 LYS 72 3HB LYS 72 19.975 6.441 13.098 584 HG2 LYS 72 2HG LYS 72 17.636 7.590 13.171 585 HG3 LYS 72 3HG LYS 72 17.155 6.111 14.006 586 HD2 LYS 72 2HD LYS 72 17.810 7.325 15.814 587 HD3 LYS 72 3HD LYS 72 19.378 6.641 15.377 588 HE2 LYS 72 2HE LYS 72 18.514 9.231 14.170 589 HE3 LYS 72 3HE LYS 72 19.121 9.208 15.825 590 HZ1 LYS 72 3HZ LYS 72 20.961 7.743 14.520 591 HZ2 LYS 72 1HZ LYS 72 21.107 9.397 14.847 592 HZ3 LYS 72 2HZ LYS 72 20.544 8.879 13.338 593 H GLY 73 H GLY 73 19.785 3.749 10.691 594 HA2 GLY 73 2HA GLY 73 22.355 4.838 10.027 595 HA3 GLY 73 3HA GLY 73 21.824 3.184 9.764 596 H GLN 74 H GLN 74 19.411 4.329 8.301 597 HA GLN 74 HA GLN 74 20.796 4.689 5.735 598 HB2 GLN 74 2HB GLN 74 17.893 3.973 6.090 599 HB3 GLN 74 3HB GLN 74 18.896 3.769 4.660 600 HG2 GLN 74 2HG GLN 74 18.874 2.166 7.185 601 HG3 GLN 74 3HG GLN 74 18.675 1.622 5.520 602 HE21 GLN 74 1HE2 GLN 74 20.572 0.935 7.771 603 HE22 GLN 74 2HE2 GLN 74 22.137 1.025 7.045 604 H LYS 75 H LYS 75 19.989 6.724 7.884 605 HA LYS 75 HA LYS 75 19.164 8.844 8.001 606 HB2 LYS 75 2HB LYS 75 19.473 8.884 5.001 607 HB3 LYS 75 3HB LYS 75 19.569 10.245 6.111 608 HG2 LYS 75 2HG LYS 75 21.527 7.959 6.015 609 HG3 LYS 75 3HG LYS 75 21.765 9.536 5.258 610 HD2 LYS 75 2HD LYS 75 21.134 9.353 8.177 611 HD3 LYS 75 3HD LYS 75 22.781 9.065 7.609 612 HE2 LYS 75 2HE LYS 75 22.903 11.312 7.959 613 HE3 LYS 75 3HE LYS 75 22.322 11.320 6.295 614 HZ1 LYS 75 3HZ LYS 75 20.311 12.096 6.906 615 HZ2 LYS 75 1HZ LYS 75 21.164 12.691 8.241 616 HZ3 LYS 75 2HZ LYS 75 20.286 11.251 8.371 617 H ILE 76 H ILE 76 17.115 7.282 8.290 618 HA ILE 76 HA ILE 76 15.050 8.292 6.444 619 HB ILE 76 HB ILE 76 14.834 5.749 8.046 620 HG12 ILE 76 2HG1 ILE 76 15.650 6.085 5.151 621 HG13 ILE 76 3HG1 ILE 76 16.698 5.547 6.459 622 HG21 ILE 76 1HG2 ILE 76 12.732 6.813 7.344 623 HG22 ILE 76 2HG2 ILE 76 13.277 6.754 5.668 624 HG23 ILE 76 3HG2 ILE 76 12.987 5.257 6.554 625 HD11 ILE 76 3HD1 ILE 76 15.073 3.627 6.767 626 HD12 ILE 76 1HD1 ILE 76 14.378 4.109 5.220 627 HD13 ILE 76 2HD1 ILE 76 16.067 3.608 5.311 628 H ILE 77 H ILE 77 13.407 9.416 7.295 629 HA ILE 77 HA ILE 77 13.185 9.502 10.233 630 HB ILE 77 HB ILE 77 12.483 11.711 8.298 631 HG12 ILE 77 2HG1 ILE 77 14.917 11.304 8.412 632 HG13 ILE 77 3HG1 ILE 77 14.477 12.853 9.122 633 HG21 ILE 77 1HG2 ILE 77 12.187 11.339 11.222 634 HG22 ILE 77 2HG2 ILE 77 12.675 12.935 10.653 635 HG23 ILE 77 3HG2 ILE 77 11.170 12.218 10.081 636 HD11 ILE 77 3HD1 ILE 77 14.482 10.779 11.115 637 HD12 ILE 77 1HD1 ILE 77 16.026 10.851 10.266 638 HD13 ILE 77 2HD1 ILE 77 15.386 12.292 11.058 639 H GLN 78 H GLN 78 11.567 8.949 7.257 640 HA GLN 78 HA GLN 78 8.908 9.459 7.999 641 HB2 GLN 78 2HB GLN 78 9.778 7.270 6.117 642 HB3 GLN 78 3HB GLN 78 8.271 8.177 6.097 643 HG2 GLN 78 2HG GLN 78 10.204 10.129 5.856 644 HG3 GLN 78 3HG GLN 78 10.832 8.794 4.891 645 HE21 GLN 78 1HE2 GLN 78 8.890 11.469 4.863 646 HE22 GLN 78 2HE2 GLN 78 7.958 11.124 3.449 647 H PHE 79 H PHE 79 11.013 6.722 8.572 648 HA PHE 79 HA PHE 79 8.993 4.915 9.422 649 HB2 PHE 79 2HB PHE 79 11.924 4.979 9.341 650 HB3 PHE 79 3HB PHE 79 11.275 4.079 10.707 651 HD1 PHE 79 HD2 PHE 79 9.020 2.680 9.806 652 HD2 PHE 79 HD1 PHE 79 12.566 3.598 7.638 653 HE1 PHE 79 HE2 PHE 79 8.621 0.745 8.340 654 HE2 PHE 79 HE1 PHE 79 12.172 1.665 6.168 655 HZ PHE 79 HZ PHE 79 10.198 0.234 6.519 656 H GLN 80 H GLN 80 11.287 6.964 11.212 657 HA GLN 80 HA GLN 80 10.406 6.281 13.784 658 HB2 GLN 80 2HB GLN 80 11.522 8.969 12.994 659 HB3 GLN 80 3HB GLN 80 11.628 8.179 14.561 660 HG2 GLN 80 2HG GLN 80 12.965 6.368 13.387 661 HG3 GLN 80 3HG GLN 80 13.067 7.482 12.024 662 HE21 GLN 80 1HE2 GLN 80 14.883 6.350 14.321 663 HE22 GLN 80 2HE2 GLN 80 15.800 7.742 14.775 664 H ASP 81 H ASP 81 9.316 8.755 11.523 665 HA ASP 81 HA ASP 81 7.507 9.989 13.362 666 HB2 ASP 81 2HB ASP 81 8.544 11.055 11.287 667 HB3 ASP 81 3HB ASP 81 7.356 10.150 10.354 668 H SER 82 H SER 82 7.139 7.703 10.672 669 HA SER 82 HA SER 82 4.345 7.472 10.788 670 HB2 SER 82 2HB SER 82 4.648 5.382 9.526 671 HB3 SER 82 3HB SER 82 5.675 6.664 8.883 672 HG SER 82 HG SER 82 6.551 4.394 9.396 673 H PHE 83 H PHE 83 6.873 5.426 12.238 674 HA PHE 83 HA PHE 83 4.992 3.798 13.648 675 HB2 PHE 83 2HB PHE 83 7.967 4.038 13.560 676 HB3 PHE 83 3HB PHE 83 7.235 3.196 14.922 677 HD1 PHE 83 HD2 PHE 83 5.101 1.669 13.883 678 HD2 PHE 83 HD1 PHE 83 8.841 2.556 12.054 679 HE1 PHE 83 HE2 PHE 83 4.915 -0.371 12.519 680 HE2 PHE 83 HE1 PHE 83 8.660 0.518 10.687 681 HZ PHE 83 HZ PHE 83 6.696 -0.949 10.920 682 H GLY 84 H GLY 84 6.516 6.817 14.246 683 HA2 GLY 84 2HA GLY 84 6.263 6.706 17.121 684 HA3 GLY 84 3HA GLY 84 6.735 8.104 16.166 685 H LYS 85 H LYS 85 4.416 8.027 14.437 686 HA LYS 85 HA LYS 85 2.641 9.567 16.048 687 HB2 LYS 85 2HB LYS 85 1.306 9.793 14.020 688 HB3 LYS 85 3HB LYS 85 3.010 10.053 13.667 689 HG2 LYS 85 2HG LYS 85 3.209 8.063 12.507 690 HG3 LYS 85 3HG LYS 85 1.794 7.351 13.285 691 HD2 LYS 85 2HD LYS 85 1.314 7.918 10.963 692 HD3 LYS 85 3HD LYS 85 0.346 8.904 12.061 693 HE2 LYS 85 2HE LYS 85 1.519 10.824 11.584 694 HE3 LYS 85 3HE LYS 85 2.975 9.946 11.117 695 HZ1 LYS 85 3HZ LYS 85 1.563 9.138 9.162 696 HZ2 LYS 85 1HZ LYS 85 2.129 10.733 9.122 697 HZ3 LYS 85 2HZ LYS 85 0.522 10.416 9.544 698 H VAL 86 H VAL 86 2.971 6.259 15.570 699 HA VAL 86 HA VAL 86 0.211 5.794 16.497 700 HB VAL 86 HB VAL 86 0.185 3.660 15.360 701 HG11 VAL 86 1HG1 VAL 86 1.179 5.449 13.205 702 HG12 VAL 86 2HG1 VAL 86 -0.284 4.465 13.275 703 HG13 VAL 86 3HG1 VAL 86 -0.200 5.986 14.164 704 HG21 VAL 86 3HG2 VAL 86 2.083 2.601 14.897 705 HG22 VAL 86 1HG2 VAL 86 2.415 3.792 13.640 706 HG23 VAL 86 2HG2 VAL 86 3.016 4.048 15.278 707 H ALA 87 H ALA 87 3.405 5.702 17.332 708 HA ALA 87 HA ALA 87 3.570 3.251 18.757 709 HB1 ALA 87 1HB ALA 87 5.684 3.957 18.538 710 HB2 ALA 87 2HB ALA 87 5.211 5.653 18.436 711 HB3 ALA 87 3HB ALA 87 5.365 4.874 20.011 712 H ALA 88 H ALA 88 3.183 6.602 19.929 713 HA ALA 88 HA ALA 88 2.767 6.044 22.605 714 HB1 ALA 88 1HB ALA 88 1.395 8.247 21.075 715 HB2 ALA 88 2HB ALA 88 1.783 8.216 22.796 716 HB3 ALA 88 3HB ALA 88 3.078 8.305 21.601 717 H GLU 89 H GLU 89 0.565 5.744 19.913 718 HA GLU 89 HA GLU 89 -1.801 5.485 21.503 719 HB2 GLU 89 2HB GLU 89 -1.540 6.125 18.982 720 HB3 GLU 89 3HB GLU 89 -1.558 4.386 18.725 721 HG2 GLU 89 2HG GLU 89 -3.769 5.269 18.425 722 HG3 GLU 89 3HG GLU 89 -3.730 4.261 19.871 723 H VAL 90 H VAL 90 0.032 3.131 19.543 724 HA VAL 90 HA VAL 90 -1.318 0.853 20.449 725 HB VAL 90 HB VAL 90 1.533 1.061 19.469 726 HG11 VAL 90 1HG1 VAL 90 1.556 -1.057 20.281 727 HG12 VAL 90 2HG1 VAL 90 -0.199 -1.227 20.197 728 HG13 VAL 90 3HG1 VAL 90 0.775 -1.390 18.735 729 HG21 VAL 90 3HG2 VAL 90 -0.478 -0.018 17.658 730 HG22 VAL 90 1HG2 VAL 90 -0.778 1.661 18.105 731 HG23 VAL 90 2HG2 VAL 90 0.761 1.205 17.375 732 H LEU 91 H LEU 91 1.887 2.062 21.452 733 HA LEU 91 HA LEU 91 2.417 0.256 23.461 734 HB2 LEU 91 2HB LEU 91 3.163 3.112 23.027 735 HB3 LEU 91 3HB LEU 91 3.600 2.328 24.544 736 HG LEU 91 HG LEU 91 4.926 0.688 23.349 737 HD11 LEU 91 1HD1 LEU 91 5.258 0.813 20.949 738 HD12 LEU 91 2HD1 LEU 91 4.121 2.157 20.842 739 HD13 LEU 91 3HD1 LEU 91 3.553 0.558 21.321 740 HD21 LEU 91 3HD2 LEU 91 5.482 3.550 22.588 741 HD22 LEU 91 1HD2 LEU 91 6.631 2.229 22.371 742 HD23 LEU 91 2HD2 LEU 91 6.091 2.671 23.991 743 H GLY 92 H GLY 92 0.457 3.193 23.609 744 HA2 GLY 92 2HA GLY 92 0.026 3.134 26.414 745 HA3 GLY 92 3HA GLY 92 -0.943 4.011 25.239 746 H ARG 93 H ARG 93 -1.595 1.598 23.713 747 HA ARG 93 HA ARG 93 -3.866 0.780 25.285 748 HB2 ARG 93 2HB ARG 93 -2.958 0.413 22.473 749 HB3 ARG 93 3HB ARG 93 -4.097 -0.760 23.121 750 HG2 ARG 93 2HG ARG 93 -4.726 2.106 23.519 751 HG3 ARG 93 3HG ARG 93 -4.873 1.454 21.886 752 HD2 ARG 93 2HD ARG 93 -6.522 -0.066 22.509 753 HD3 ARG 93 3HD ARG 93 -6.096 0.028 24.218 754 HE ARG 93 HE ARG 93 -6.964 2.549 23.485 755 HH11 ARG 93 1HH1 ARG 93 -8.270 -0.675 23.619 756 HH12 ARG 93 2HH1 ARG 93 -9.895 -0.145 23.907 757 HH21 ARG 93 1HH2 ARG 93 -9.098 3.259 23.863 758 HH22 ARG 93 2HH2 ARG 93 -10.365 2.093 24.044 759 H ILE 94 H ILE 94 -1.179 -0.951 23.702 760 HA ILE 94 HA ILE 94 -1.733 -3.480 24.740 761 HB ILE 94 HB ILE 94 0.545 -4.084 24.202 762 HG12 ILE 94 2HG1 ILE 94 1.030 -1.113 23.893 763 HG13 ILE 94 3HG1 ILE 94 1.677 -2.135 25.172 764 HG21 ILE 94 1HG2 ILE 94 -0.215 -2.109 22.085 765 HG22 ILE 94 2HG2 ILE 94 0.458 -3.728 21.909 766 HG23 ILE 94 3HG2 ILE 94 -1.221 -3.521 22.407 767 HD11 ILE 94 3HD1 ILE 94 2.448 -1.964 22.305 768 HD12 ILE 94 1HD1 ILE 94 3.461 -2.005 23.748 769 HD13 ILE 94 2HD1 ILE 94 2.684 -3.480 23.174 770 H ASN 95 H ASN 95 -0.092 -0.739 26.156 771 HA ASN 95 HA ASN 95 1.211 -2.049 28.272 772 HB2 ASN 95 2HB ASN 95 1.804 0.217 27.752 773 HB3 ASN 95 3HB ASN 95 0.154 0.770 28.023 774 HD21 ASN 95 1HD2 ASN 95 -0.658 0.794 30.169 775 HD22 ASN 95 2HD2 ASN 95 0.420 0.906 31.514 776 H GLN 96 H GLN 96 -2.080 -0.872 27.907 777 HA GLN 96 HA GLN 96 -2.801 -1.283 30.645 778 HB2 GLN 96 2HB GLN 96 -4.569 -0.985 28.211 779 HB3 GLN 96 3HB GLN 96 -5.094 -0.869 29.885 780 HG2 GLN 96 2HG GLN 96 -3.886 1.139 30.220 781 HG3 GLN 96 3HG GLN 96 -3.035 0.959 28.686 782 HE21 GLN 96 1HE2 GLN 96 -3.682 2.845 27.769 783 HE22 GLN 96 2HE2 GLN 96 -5.319 3.196 27.344 784 H GLU 97 H GLU 97 -3.344 -3.073 27.627 785 HA GLU 97 HA GLU 97 -4.813 -5.178 28.839 786 HB2 GLU 97 2HB GLU 97 -3.292 -5.095 26.228 787 HB3 GLU 97 3HB GLU 97 -4.382 -6.387 26.710 788 HG2 GLU 97 2HG GLU 97 -5.394 -3.590 26.676 789 HG3 GLU 97 3HG GLU 97 -5.188 -4.448 25.150 790 H PHE 98 H PHE 98 -1.443 -4.490 28.520 791 HA PHE 98 HA PHE 98 -0.529 -7.174 28.943 792 HB2 PHE 98 2HB PHE 98 0.741 -4.482 28.765 793 HB3 PHE 98 3HB PHE 98 1.646 -5.771 29.552 794 HD1 PHE 98 HD2 PHE 98 -0.687 -6.339 26.770 795 HD2 PHE 98 HD1 PHE 98 3.385 -5.897 27.929 796 HE1 PHE 98 HE2 PHE 98 0.027 -7.175 24.569 797 HE2 PHE 98 HE1 PHE 98 4.105 -6.732 25.729 798 HZ PHE 98 HZ PHE 98 2.425 -7.373 24.046 799 HA PRO 99 HA PRO 99 -1.028 -7.339 33.322 800 HB2 PRO 99 2HB PRO 99 0.681 -9.387 33.829 801 HB3 PRO 99 3HB PRO 99 -0.907 -9.622 33.089 802 HG2 PRO 99 2HG PRO 99 1.787 -9.477 31.790 803 HG3 PRO 99 3HG PRO 99 0.446 -10.591 31.464 804 HD2 PRO 99 2HD PRO 99 0.958 -8.435 29.909 805 HD3 PRO 99 3HD PRO 99 -0.685 -9.053 30.173 806 H ARG 100 H ARG 100 0.382 -7.425 35.327 807 HA ARG 100 HA ARG 100 2.176 -5.262 35.318 808 HB2 ARG 100 2HB ARG 100 1.336 -7.320 37.294 809 HB3 ARG 100 3HB ARG 100 2.822 -6.440 37.627 810 HG2 ARG 100 2HG ARG 100 1.577 -4.321 37.422 811 HG3 ARG 100 3HG ARG 100 0.093 -5.247 37.187 812 HD2 ARG 100 2HD ARG 100 0.730 -6.385 39.419 813 HD3 ARG 100 3HD ARG 100 1.802 -5.002 39.635 814 HE ARG 100 HE ARG 100 -0.560 -3.839 39.057 815 HH11 ARG 100 1HH1 ARG 100 0.377 -6.285 41.350 816 HH12 ARG 100 2HH1 ARG 100 -0.837 -5.850 42.507 817 HH21 ARG 100 1HH2 ARG 100 -2.162 -3.257 40.573 818 HH22 ARG 100 2HH2 ARG 100 -2.281 -4.128 42.064 819 H ASP 101 H ASP 101 2.626 -8.613 34.671 820 HA ASP 101 HA ASP 101 5.431 -8.703 35.238 821 HB2 ASP 101 2HB ASP 101 3.465 -10.527 33.911 822 HB3 ASP 101 3HB ASP 101 5.188 -10.816 33.683 823 H LEU 102 H LEU 102 3.515 -8.524 32.245 824 HA LEU 102 HA LEU 102 5.774 -8.301 30.536 825 HB2 LEU 102 2HB LEU 102 2.868 -7.625 30.133 826 HB3 LEU 102 3HB LEU 102 4.078 -7.526 28.857 827 HG LEU 102 HG LEU 102 3.123 -10.006 30.280 828 HD11 LEU 102 1HD1 LEU 102 1.822 -10.383 28.508 829 HD12 LEU 102 2HD1 LEU 102 3.078 -9.900 27.370 830 HD13 LEU 102 3HD1 LEU 102 2.058 -8.677 28.127 831 HD21 LEU 102 3HD2 LEU 102 4.645 -11.159 28.619 832 HD22 LEU 102 1HD2 LEU 102 5.438 -10.342 29.966 833 HD23 LEU 102 2HD2 LEU 102 5.410 -9.588 28.371 834 H LYS 103 H LYS 103 3.862 -6.019 32.337 835 HA LYS 103 HA LYS 103 4.343 -3.644 31.031 836 HB2 LYS 103 2HB LYS 103 4.128 -4.283 33.965 837 HB3 LYS 103 3HB LYS 103 4.332 -2.633 33.392 838 HG2 LYS 103 2HG LYS 103 2.185 -4.110 32.062 839 HG3 LYS 103 3HG LYS 103 1.945 -3.865 33.793 840 HD2 LYS 103 2HD LYS 103 2.770 -1.597 32.014 841 HD3 LYS 103 3HD LYS 103 1.075 -2.071 32.153 842 HE2 LYS 103 2HE LYS 103 0.911 -1.353 34.310 843 HE3 LYS 103 3HE LYS 103 2.602 -1.696 34.668 844 HZ1 LYS 103 3HZ LYS 103 2.085 0.434 32.753 845 HZ2 LYS 103 1HZ LYS 103 3.256 0.331 33.969 846 HZ3 LYS 103 2HZ LYS 103 1.667 0.755 34.360 847 H LYS 104 H LYS 104 6.521 -5.533 33.017 848 HA LYS 104 HA LYS 104 8.532 -3.542 33.290 849 HB2 LYS 104 2HB LYS 104 8.146 -5.792 34.593 850 HB3 LYS 104 3HB LYS 104 9.166 -6.468 33.330 851 HG2 LYS 104 2HG LYS 104 10.742 -5.970 34.895 852 HG3 LYS 104 3HG LYS 104 10.735 -4.460 33.980 853 HD2 LYS 104 2HD LYS 104 9.259 -3.443 35.612 854 HD3 LYS 104 3HD LYS 104 9.149 -4.966 36.498 855 HE2 LYS 104 2HE LYS 104 11.825 -3.740 36.000 856 HE3 LYS 104 3HE LYS 104 10.799 -3.089 37.277 857 HZ1 LYS 104 3HZ LYS 104 10.863 -5.075 38.449 858 HZ2 LYS 104 1HZ LYS 104 12.448 -4.926 37.874 859 HZ3 LYS 104 2HZ LYS 104 11.368 -5.981 37.112 860 H LYS 105 H LYS 105 8.214 -6.362 31.142 861 HA LYS 105 HA LYS 105 10.580 -5.886 29.685 862 HB2 LYS 105 2HB LYS 105 8.074 -7.329 28.801 863 HB3 LYS 105 3HB LYS 105 9.652 -7.448 28.035 864 HG2 LYS 105 2HG LYS 105 10.507 -8.299 30.268 865 HG3 LYS 105 3HG LYS 105 8.812 -8.460 30.732 866 HD2 LYS 105 2HD LYS 105 8.473 -9.879 28.701 867 HD3 LYS 105 3HD LYS 105 10.218 -9.827 28.440 868 HE2 LYS 105 2HE LYS 105 10.649 -11.000 30.444 869 HE3 LYS 105 3HE LYS 105 9.001 -10.767 31.024 870 HZ1 LYS 105 3HZ LYS 105 10.011 -12.650 29.010 871 HZ2 LYS 105 1HZ LYS 105 8.414 -12.102 28.888 872 HZ3 LYS 105 2HZ LYS 105 8.926 -12.916 30.280 873 H LEU 106 H LEU 106 7.354 -4.601 29.434 874 HA LEU 106 HA LEU 106 7.769 -3.468 26.812 875 HB2 LEU 106 2HB LEU 106 5.549 -4.143 27.400 876 HB3 LEU 106 3HB LEU 106 5.580 -3.149 28.854 877 HG LEU 106 HG LEU 106 5.884 -1.784 26.230 878 HD11 LEU 106 1HD1 LEU 106 3.517 -1.733 25.837 879 HD12 LEU 106 2HD1 LEU 106 3.212 -2.698 27.281 880 HD13 LEU 106 3HD1 LEU 106 4.045 -3.415 25.901 881 HD21 LEU 106 3HD2 LEU 106 4.900 -1.182 28.970 882 HD22 LEU 106 1HD2 LEU 106 4.211 -0.283 27.618 883 HD23 LEU 106 2HD2 LEU 106 5.950 -0.240 27.910 884 H SER 107 H SER 107 7.820 -2.369 30.156 885 HA SER 107 HA SER 107 8.148 0.398 29.487 886 HB2 SER 107 2HB SER 107 7.146 -0.363 31.632 887 HB3 SER 107 3HB SER 107 8.718 -1.002 32.111 888 HG SER 107 HG SER 107 7.846 1.640 31.913 889 H ARG 108 H ARG 108 10.253 -2.316 29.958 890 HA ARG 108 HA ARG 108 12.634 -0.713 30.282 891 HB2 ARG 108 2HB ARG 108 13.809 -2.747 30.500 892 HB3 ARG 108 3HB ARG 108 12.257 -3.029 31.277 893 HG2 ARG 108 2HG ARG 108 12.371 -4.931 30.065 894 HG3 ARG 108 3HG ARG 108 11.642 -3.893 28.837 895 HD2 ARG 108 2HD ARG 108 13.350 -4.701 27.589 896 HD3 ARG 108 3HD ARG 108 14.219 -3.374 28.359 897 HE ARG 108 HE ARG 108 15.502 -4.914 29.449 898 HH11 ARG 108 1HH1 ARG 108 12.597 -6.470 28.327 899 HH12 ARG 108 2HH1 ARG 108 13.110 -8.057 28.797 900 HH21 ARG 108 1HH2 ARG 108 16.188 -6.998 30.073 901 HH22 ARG 108 2HH2 ARG 108 15.152 -8.356 29.792 902 H VAL 109 H VAL 109 10.962 -2.395 27.705 903 HA VAL 109 HA VAL 109 13.111 -2.129 25.813 904 HB VAL 109 HB VAL 109 11.471 -3.962 25.642 905 HG11 VAL 109 1HG1 VAL 109 9.505 -1.831 24.812 906 HG12 VAL 109 2HG1 VAL 109 9.212 -3.569 24.912 907 HG13 VAL 109 3HG1 VAL 109 9.507 -2.637 26.381 908 HG21 VAL 109 3HG2 VAL 109 12.711 -3.303 23.664 909 HG22 VAL 109 1HG2 VAL 109 11.072 -3.781 23.218 910 HG23 VAL 109 2HG2 VAL 109 11.505 -2.072 23.289 911 H VAL 110 H VAL 110 10.136 -0.396 26.563 912 HA VAL 110 HA VAL 110 10.142 1.318 24.318 913 HB VAL 110 HB VAL 110 8.905 1.589 27.051 914 HG11 VAL 110 1HG1 VAL 110 9.024 3.542 24.804 915 HG12 VAL 110 2HG1 VAL 110 7.543 3.422 25.756 916 HG13 VAL 110 3HG1 VAL 110 9.070 3.821 26.545 917 HG21 VAL 110 3HG2 VAL 110 6.901 0.948 26.035 918 HG22 VAL 110 1HG2 VAL 110 7.503 1.298 24.415 919 HG23 VAL 110 2HG2 VAL 110 8.105 -0.107 25.295 920 H ASN 111 H ASN 111 11.586 1.574 27.528 921 HA ASN 111 HA ASN 111 12.390 4.251 27.412 922 HB2 ASN 111 2HB ASN 111 13.556 1.873 28.863 923 HB3 ASN 111 3HB ASN 111 14.167 3.511 29.073 924 HD21 ASN 111 1HD2 ASN 111 13.190 2.075 31.189 925 HD22 ASN 111 2HD2 ASN 111 11.709 2.781 31.733 926 H ILE 112 H ILE 112 13.827 1.344 26.087 927 HA ILE 112 HA ILE 112 16.398 2.170 25.538 928 HB ILE 112 HB ILE 112 14.615 0.479 23.783 929 HG12 ILE 112 2HG1 ILE 112 16.694 -0.386 25.798 930 HG13 ILE 112 3HG1 ILE 112 14.973 -0.292 26.154 931 HG21 ILE 112 1HG2 ILE 112 16.471 1.243 22.481 932 HG22 ILE 112 2HG2 ILE 112 17.601 0.866 23.780 933 HG23 ILE 112 3HG2 ILE 112 16.772 -0.436 22.928 934 HD11 ILE 112 3HD1 ILE 112 14.693 -1.865 24.142 935 HD12 ILE 112 1HD1 ILE 112 16.420 -2.167 24.333 936 HD13 ILE 112 2HD1 ILE 112 15.310 -2.526 25.656 937 H LEU 113 H LEU 113 13.420 3.068 23.947 938 HA LEU 113 HA LEU 113 14.380 4.098 21.555 939 HB2 LEU 113 2HB LEU 113 12.048 4.756 23.299 940 HB3 LEU 113 3HB LEU 113 12.399 5.767 21.899 941 HG LEU 113 HG LEU 113 10.670 4.052 21.470 942 HD11 LEU 113 1HD1 LEU 113 11.736 3.141 19.395 943 HD12 LEU 113 2HD1 LEU 113 13.251 3.865 19.932 944 HD13 LEU 113 3HD1 LEU 113 11.859 4.890 19.588 945 HD21 LEU 113 3HD2 LEU 113 11.503 2.290 22.919 946 HD22 LEU 113 1HD2 LEU 113 12.944 2.120 21.916 947 HD23 LEU 113 2HD2 LEU 113 11.360 1.705 21.261 948 H LYS 114 H LYS 114 14.304 5.540 24.766 949 HA LYS 114 HA LYS 114 15.138 8.134 23.934 950 HB2 LYS 114 2HB LYS 114 15.096 8.707 26.166 951 HB3 LYS 114 3HB LYS 114 14.002 7.330 26.162 952 HG2 LYS 114 2HG LYS 114 16.147 5.965 26.706 953 HG3 LYS 114 3HG LYS 114 16.788 7.531 27.208 954 HD2 LYS 114 2HD LYS 114 14.133 6.540 28.197 955 HD3 LYS 114 3HD LYS 114 15.641 6.060 28.980 956 HE2 LYS 114 2HE LYS 114 16.126 8.615 29.008 957 HE3 LYS 114 3HE LYS 114 14.384 8.768 28.779 958 HZ1 LYS 114 3HZ LYS 114 14.120 7.330 30.774 959 HZ2 LYS 114 1HZ LYS 114 14.827 8.832 31.096 960 HZ3 LYS 114 2HZ LYS 114 15.788 7.442 31.031 961 H GLU 115 H GLU 115 16.788 5.188 24.812 962 HA GLU 115 HA GLU 115 19.343 6.271 25.305 963 HB2 GLU 115 2HB GLU 115 18.188 3.616 24.867 964 HB3 GLU 115 3HB GLU 115 19.837 3.764 24.276 965 HG2 GLU 115 2HG GLU 115 19.807 2.936 26.549 966 HG3 GLU 115 3HG GLU 115 20.565 4.526 26.474 967 H ARG 116 H ARG 116 17.768 5.144 22.351 968 HA ARG 116 HA ARG 116 20.130 5.826 20.777 969 HB2 ARG 116 2HB ARG 116 17.512 4.720 19.763 970 HB3 ARG 116 3HB ARG 116 19.071 4.709 18.950 971 HG2 ARG 116 2HG ARG 116 18.325 3.146 21.412 972 HG3 ARG 116 3HG ARG 116 18.551 2.507 19.782 973 HD2 ARG 116 2HD ARG 116 20.648 3.768 21.544 974 HD3 ARG 116 3HD ARG 116 20.521 2.065 21.105 975 HE ARG 116 HE ARG 116 20.713 3.356 18.715 976 HH11 ARG 116 1HH1 ARG 116 22.627 3.293 21.623 977 HH12 ARG 116 2HH1 ARG 116 24.123 3.591 20.800 978 HH21 ARG 116 1HH2 ARG 116 22.676 3.748 17.621 979 HH22 ARG 116 2HH2 ARG 116 24.149 3.851 18.524 980 H ASN 117 H ASN 117 17.298 7.278 21.854 981 HA ASN 117 HA ASN 117 16.297 9.272 21.408 982 HB2 ASN 117 2HB ASN 117 18.491 9.949 19.471 983 HB3 ASN 117 3HB ASN 117 17.598 11.017 20.548 984 HD21 ASN 117 1HD2 ASN 117 20.398 9.207 20.108 985 HD22 ASN 117 2HD2 ASN 117 21.049 9.360 21.702 986 H ILE 118 H ILE 118 15.491 7.038 19.925 987 HA ILE 118 HA ILE 118 15.336 7.454 17.155 988 HB ILE 118 HB ILE 118 13.333 6.030 18.910 989 HG12 ILE 118 2HG1 ILE 118 15.671 5.207 19.154 990 HG13 ILE 118 3HG1 ILE 118 14.587 4.010 18.453 991 HG21 ILE 118 1HG2 ILE 118 12.723 4.816 16.892 992 HG22 ILE 118 2HG2 ILE 118 12.490 6.550 16.670 993 HG23 ILE 118 3HG2 ILE 118 13.893 5.750 15.960 994 HD11 ILE 118 3HD1 ILE 118 16.340 5.770 16.773 995 HD12 ILE 118 1HD1 ILE 118 16.881 4.221 17.419 996 HD13 ILE 118 2HD1 ILE 118 15.510 4.284 16.312 997 H PHE 119 H PHE 119 12.587 7.767 19.398 998 HA PHE 119 HA PHE 119 11.283 9.605 17.591 999 HB2 PHE 119 2HB PHE 119 10.418 8.681 20.339 1000 HB3 PHE 119 3HB PHE 119 9.414 9.507 19.153 1001 HD1 PHE 119 HD2 PHE 119 9.610 8.234 16.719 1002 HD2 PHE 119 HD1 PHE 119 9.953 6.459 20.573 1003 HE1 PHE 119 HE2 PHE 119 8.940 6.063 15.775 1004 HE2 PHE 119 HE1 PHE 119 9.284 4.285 19.635 1005 HZ PHE 119 HZ PHE 119 8.775 4.085 17.234 1006 H SER 120 H SER 120 10.322 11.647 18.448 1007 HA SER 120 HA SER 120 12.399 13.155 19.820 1008 HB2 SER 120 2HB SER 120 10.946 13.804 17.664 1009 HB3 SER 120 3HB SER 120 9.898 14.483 18.909 1010 HG SER 120 HG SER 120 12.275 15.392 17.973 1011 H LYS 121 H LYS 121 11.618 14.898 21.371 1012 HA LYS 121 HA LYS 121 10.554 13.730 23.656 1013 HB2 LYS 121 2HB LYS 121 10.478 15.943 24.600 1014 HB3 LYS 121 3HB LYS 121 11.913 15.818 23.591 1015 HG2 LYS 121 2HG LYS 121 11.196 17.815 22.840 1016 HG3 LYS 121 3HG LYS 121 10.197 16.808 21.789 1017 HD2 LYS 121 2HD LYS 121 8.282 17.327 22.889 1018 HD3 LYS 121 3HD LYS 121 9.086 17.434 24.457 1019 HE2 LYS 121 2HE LYS 121 9.664 19.494 22.379 1020 HE3 LYS 121 3HE LYS 121 8.147 19.581 23.273 1021 HZ1 LYS 121 3HZ LYS 121 10.123 19.140 25.152 1022 HZ2 LYS 121 1HZ LYS 121 9.270 20.576 24.884 1023 HZ3 LYS 121 2HZ LYS 121 10.750 20.315 24.109 1024 H GLN 122 H GLN 122 8.960 15.505 21.072 1025 HA GLN 122 HA GLN 122 6.470 15.904 22.269 1026 HB2 GLN 122 2HB GLN 122 7.472 16.660 19.941 1027 HB3 GLN 122 3HB GLN 122 6.621 15.234 19.364 1028 HG2 GLN 122 2HG GLN 122 5.039 16.857 19.057 1029 HG3 GLN 122 3HG GLN 122 4.605 16.255 20.656 1030 HE21 GLN 122 1HE2 GLN 122 3.637 18.132 21.325 1031 HE22 GLN 122 2HE2 GLN 122 4.514 19.586 21.644 1032 H VAL 123 H VAL 123 7.784 13.109 20.571 1033 HA VAL 123 HA VAL 123 5.319 11.640 20.627 1034 HB VAL 123 HB VAL 123 8.090 10.528 20.196 1035 HG11 VAL 123 1HG1 VAL 123 5.416 9.556 19.200 1036 HG12 VAL 123 2HG1 VAL 123 6.977 8.752 19.020 1037 HG13 VAL 123 3HG1 VAL 123 6.247 8.915 20.618 1038 HG21 VAL 123 3HG2 VAL 123 7.080 10.781 17.706 1039 HG22 VAL 123 1HG2 VAL 123 6.395 12.213 18.476 1040 HG23 VAL 123 2HG2 VAL 123 8.142 11.970 18.461 1041 H VAL 124 H VAL 124 8.422 11.338 22.354 1042 HA VAL 124 HA VAL 124 7.743 9.221 24.021 1043 HB VAL 124 HB VAL 124 9.560 11.547 24.671 1044 HG11 VAL 124 1HG1 VAL 124 8.765 9.214 26.181 1045 HG12 VAL 124 2HG1 VAL 124 10.506 9.237 25.896 1046 HG13 VAL 124 3HG1 VAL 124 9.722 10.608 26.682 1047 HG21 VAL 124 3HG2 VAL 124 10.825 9.047 23.931 1048 HG22 VAL 124 1HG2 VAL 124 9.800 9.675 22.641 1049 HG23 VAL 124 2HG2 VAL 124 11.092 10.674 23.306 1050 H ASN 125 H ASN 125 7.469 12.715 24.658 1051 HA ASN 125 HA ASN 125 6.403 12.553 27.225 1052 HB2 ASN 125 2HB ASN 125 6.218 14.608 25.043 1053 HB3 ASN 125 3HB ASN 125 5.306 14.818 26.536 1054 HD21 ASN 125 1HD2 ASN 125 7.904 15.898 25.112 1055 HD22 ASN 125 2HD2 ASN 125 8.984 16.089 26.446 1056 H ASP 126 H ASP 126 4.928 11.994 24.140 1057 HA ASP 126 HA ASP 126 2.219 12.246 25.031 1058 HB2 ASP 126 2HB ASP 126 3.031 12.477 22.636 1059 HB3 ASP 126 3HB ASP 126 3.182 10.722 22.611 1060 H ILE 127 H ILE 127 4.447 9.547 24.506 1061 HA ILE 127 HA ILE 127 2.718 7.423 24.920 1062 HB ILE 127 HB ILE 127 5.611 7.619 25.763 1063 HG12 ILE 127 2HG1 ILE 127 4.643 6.221 23.301 1064 HG13 ILE 127 3HG1 ILE 127 4.810 7.973 23.277 1065 HG21 ILE 127 1HG2 ILE 127 5.393 5.059 25.324 1066 HG22 ILE 127 2HG2 ILE 127 4.884 5.735 26.871 1067 HG23 ILE 127 3HG2 ILE 127 3.682 5.345 25.641 1068 HD11 ILE 127 3HD1 ILE 127 6.844 5.892 23.194 1069 HD12 ILE 127 1HD1 ILE 127 6.908 7.569 22.654 1070 HD13 ILE 127 2HD1 ILE 127 7.191 7.177 24.351 1071 H GLU 128 H GLU 128 4.652 9.181 27.337 1072 HA GLU 128 HA GLU 128 3.833 7.735 29.581 1073 HB2 GLU 128 2HB GLU 128 4.499 10.681 29.532 1074 HB3 GLU 128 3HB GLU 128 4.636 9.584 30.899 1075 HG2 GLU 128 2HG GLU 128 6.353 8.315 29.608 1076 HG3 GLU 128 3HG GLU 128 6.295 9.590 28.392 1077 H ARG 129 H ARG 129 2.476 10.700 28.169 1078 HA ARG 129 HA ARG 129 0.477 11.177 30.038 1079 HB2 ARG 129 2HB ARG 129 0.423 11.681 27.057 1080 HB3 ARG 129 3HB ARG 129 -0.691 12.387 28.219 1081 HG2 ARG 129 2HG ARG 129 2.204 12.778 28.701 1082 HG3 ARG 129 3HG ARG 129 1.469 13.659 27.360 1083 HD2 ARG 129 2HD ARG 129 1.113 15.160 29.042 1084 HD3 ARG 129 3HD ARG 129 -0.360 14.202 29.186 1085 HE ARG 129 HE ARG 129 1.520 13.015 30.833 1086 HH11 ARG 129 1HH1 ARG 129 -0.100 16.086 30.577 1087 HH12 ARG 129 2HH1 ARG 129 -0.044 16.405 32.279 1088 HH21 ARG 129 1HH2 ARG 129 1.600 13.423 33.076 1089 HH22 ARG 129 2HH2 ARG 129 0.924 14.890 33.699 1090 H SER 130 H SER 130 0.535 8.971 27.299 1091 HA SER 130 HA SER 130 -2.202 8.303 27.291 1092 HB2 SER 130 2HB SER 130 -0.389 7.787 25.522 1093 HB3 SER 130 3HB SER 130 -0.027 6.372 26.510 1094 HG SER 130 HG SER 130 -2.407 5.983 26.324 1095 H LEU 131 H LEU 131 0.556 6.449 28.596 1096 HA LEU 131 HA LEU 131 -0.863 4.442 29.849 1097 HB2 LEU 131 2HB LEU 131 1.774 5.732 30.384 1098 HB3 LEU 131 3HB LEU 131 1.145 4.546 31.525 1099 HG LEU 131 HG LEU 131 1.103 2.857 29.766 1100 HD11 LEU 131 1HD1 LEU 131 0.662 4.342 27.871 1101 HD12 LEU 131 2HD1 LEU 131 2.055 3.302 27.574 1102 HD13 LEU 131 3HD1 LEU 131 2.295 4.995 28.005 1103 HD21 LEU 131 3HD2 LEU 131 3.154 3.287 31.147 1104 HD22 LEU 131 1HD2 LEU 131 3.788 4.221 29.792 1105 HD23 LEU 131 2HD2 LEU 131 3.450 2.501 29.596 1106 H ALA 132 H ALA 132 -0.059 7.664 31.055 1107 HA ALA 132 HA ALA 132 -0.978 7.325 33.689 1108 HB1 ALA 132 1HB ALA 132 -0.035 9.329 33.807 1109 HB2 ALA 132 2HB ALA 132 -0.038 9.482 32.050 1110 HB3 ALA 132 3HB ALA 132 -1.442 10.000 32.982 1111 H ALA 133 H ALA 133 -2.647 8.055 30.700 1112 HA ALA 133 HA ALA 133 -5.075 8.981 31.764 1113 HB1 ALA 133 1HB ALA 133 -4.718 7.430 29.205 1114 HB2 ALA 133 2HB ALA 133 -6.024 8.546 29.606 1115 HB3 ALA 133 3HB ALA 133 -4.384 9.153 29.380 1116 H ALA 134 H ALA 134 -3.764 5.775 31.415 1117 HA ALA 134 HA ALA 134 -6.320 4.519 32.037 1118 HB1 ALA 134 1HB ALA 134 -5.475 2.906 30.769 1119 HB2 ALA 134 2HB ALA 134 -3.897 3.693 30.740 1120 HB3 ALA 134 3HB ALA 134 -4.301 2.576 32.043 1121 H LEU 135 H LEU 135 -3.452 5.565 33.614 1122 HA LEU 135 HA LEU 135 -3.214 3.849 35.760 1123 HB2 LEU 135 2HB LEU 135 -1.675 5.696 35.278 1124 HB3 LEU 135 3HB LEU 135 -2.909 6.850 35.779 1125 HG LEU 135 HG LEU 135 -2.746 5.428 38.031 1126 HD11 LEU 135 1HD1 LEU 135 0.091 5.353 37.051 1127 HD12 LEU 135 2HD1 LEU 135 -0.990 3.966 36.919 1128 HD13 LEU 135 3HD1 LEU 135 -0.592 4.625 38.505 1129 HD21 LEU 135 3HD2 LEU 135 -1.458 7.852 37.006 1130 HD22 LEU 135 1HD2 LEU 135 -0.676 7.152 38.424 1131 HD23 LEU 135 2HD2 LEU 135 -2.383 7.593 38.487 1132 H GLU 136 H GLU 136 -5.623 6.303 35.160 1133 HA GLU 136 HA GLU 136 -6.661 6.614 37.733 1134 HB2 GLU 136 2HB GLU 136 -7.222 7.893 35.567 1135 HB3 GLU 136 3HB GLU 136 -8.383 6.607 35.268 1136 HG2 GLU 136 2HG GLU 136 -9.391 8.585 36.317 1137 HG3 GLU 136 3HG GLU 136 -9.563 7.129 37.295 1138 H HIS 137 H HIS 137 -7.929 5.407 39.010 1139 HA HIS 137 HA HIS 137 -9.121 2.966 37.871 1140 HB2 HIS 137 2HB HIS 137 -7.477 3.312 40.355 1141 HB3 HIS 137 3HB HIS 137 -8.694 2.041 40.280 1142 HD1 HIS 137 HD1 HIS 137 -8.380 0.411 38.063 1143 HD2 HIS 137 HD2 HIS 137 -5.072 2.546 39.390 1144 HE1 HIS 137 HE1 HIS 137 -6.386 -0.753 37.068 1145 H HIS 138 H HIS 138 -10.857 2.050 39.330 1146 HA HIS 138 HA HIS 138 -12.843 4.009 39.757 1147 HB2 HIS 138 2HB HIS 138 -12.722 1.128 40.673 1148 HB3 HIS 138 3HB HIS 138 -14.161 2.142 40.734 1149 HD1 HIS 138 HD1 HIS 138 -11.773 0.654 38.196 1150 HD2 HIS 138 HD2 HIS 138 -15.636 2.164 38.439 1151 HE1 HIS 138 HE1 HIS 138 -12.820 0.187 35.957 Start of MODEL 18 1 H ALA 2 H ALA 2 9.839 -6.872 -4.106 2 HA ALA 2 HA ALA 2 7.510 -5.186 -4.760 3 HB1 ALA 2 1HB ALA 2 7.692 -7.127 -6.230 4 HB2 ALA 2 2HB ALA 2 7.697 -8.196 -4.826 5 HB3 ALA 2 3HB ALA 2 6.264 -7.238 -5.200 6 H PHE 3 H PHE 3 6.258 -4.616 -3.113 7 HA PHE 3 HA PHE 3 6.618 -5.973 -0.541 8 HB2 PHE 3 2HB PHE 3 6.962 -3.612 -0.386 9 HB3 PHE 3 3HB PHE 3 5.479 -3.275 -1.272 10 HD1 PHE 3 HD1 PHE 3 6.557 -5.093 1.805 11 HD2 PHE 3 HD2 PHE 3 3.674 -2.571 -0.051 12 HE1 PHE 3 HE1 PHE 3 5.329 -4.936 3.932 13 HE2 PHE 3 HE2 PHE 3 2.443 -2.409 2.073 14 HZ PHE 3 HZ PHE 3 3.270 -3.592 4.068 15 H SER 4 H SER 4 4.883 -6.739 0.667 16 HA SER 4 HA SER 4 2.231 -6.718 -0.558 17 HB2 SER 4 2HB SER 4 3.720 -8.819 -1.170 18 HB3 SER 4 3HB SER 4 3.233 -9.352 0.439 19 HG SER 4 HG SER 4 1.844 -9.916 -1.459 20 H SER 5 H SER 5 0.859 -6.091 0.956 21 HA SER 5 HA SER 5 1.431 -5.808 3.655 22 HB2 SER 5 2HB SER 5 -1.119 -5.889 2.083 23 HB3 SER 5 3HB SER 5 -1.191 -5.851 3.844 24 HG SER 5 HG SER 5 -0.800 -3.827 2.187 25 H GLU 6 H GLU 6 0.315 -8.585 1.898 26 HA GLU 6 HA GLU 6 -0.704 -10.067 4.086 27 HB2 GLU 6 2HB GLU 6 -0.701 -11.953 2.618 28 HB3 GLU 6 3HB GLU 6 -1.148 -10.545 1.664 29 HG2 GLU 6 2HG GLU 6 1.282 -10.412 0.973 30 HG3 GLU 6 3HG GLU 6 1.469 -12.011 1.690 31 H GLN 7 H GLN 7 2.501 -9.651 2.734 32 HA GLN 7 HA GLN 7 3.753 -11.802 4.075 33 HB2 GLN 7 2HB GLN 7 4.573 -9.507 2.471 34 HB3 GLN 7 3HB GLN 7 5.723 -9.886 3.746 35 HG2 GLN 7 2HG GLN 7 4.683 -11.942 1.819 36 HG3 GLN 7 3HG GLN 7 6.129 -10.980 1.518 37 HE21 GLN 7 1HE2 GLN 7 5.966 -13.824 1.761 38 HE22 GLN 7 2HE2 GLN 7 6.945 -14.279 3.110 39 H PHE 8 H PHE 8 3.593 -8.327 4.839 40 HA PHE 8 HA PHE 8 5.035 -8.408 7.223 41 HB2 PHE 8 2HB PHE 8 4.400 -6.327 6.034 42 HB3 PHE 8 3HB PHE 8 2.732 -6.569 6.541 43 HD1 PHE 8 HD1 PHE 8 6.055 -6.692 8.241 44 HD2 PHE 8 HD2 PHE 8 2.098 -5.124 8.195 45 HE1 PHE 8 HE1 PHE 8 6.518 -5.472 10.327 46 HE2 PHE 8 HE2 PHE 8 2.555 -3.900 10.280 47 HZ PHE 8 HZ PHE 8 4.768 -4.072 11.348 48 H THR 9 H THR 9 1.555 -8.781 6.658 49 HA THR 9 HA THR 9 0.853 -9.058 9.391 50 HB THR 9 HB THR 9 -0.696 -10.201 7.067 51 HG1 THR 9 HG1 THR 9 -0.961 -8.213 6.417 52 HG21 THR 9 3HG2 THR 9 -1.884 -8.905 9.480 53 HG22 THR 9 1HG2 THR 9 -1.264 -10.550 9.610 54 HG23 THR 9 2HG2 THR 9 -2.539 -10.177 8.450 55 H THR 10 H THR 10 1.213 -11.472 6.792 56 HA THR 10 HA THR 10 0.737 -13.746 8.327 57 HB THR 10 HB THR 10 2.561 -13.469 5.930 58 HG1 THR 10 HG1 THR 10 -0.026 -14.569 5.854 59 HG21 THR 10 3HG2 THR 10 1.772 -15.770 7.585 60 HG22 THR 10 1HG2 THR 10 3.159 -15.565 6.517 61 HG23 THR 10 2HG2 THR 10 1.587 -16.001 5.847 62 H LYS 11 H LYS 11 3.681 -11.879 7.872 63 HA LYS 11 HA LYS 11 5.396 -13.750 9.181 64 HB2 LYS 11 2HB LYS 11 5.693 -10.849 8.422 65 HB3 LYS 11 3HB LYS 11 6.950 -11.719 9.291 66 HG2 LYS 11 2HG LYS 11 5.883 -12.890 6.773 67 HG3 LYS 11 3HG LYS 11 6.991 -11.520 6.678 68 HD2 LYS 11 2HD LYS 11 8.474 -13.273 6.627 69 HD3 LYS 11 3HD LYS 11 8.407 -12.952 8.362 70 HE2 LYS 11 2HE LYS 11 7.247 -14.864 8.809 71 HE3 LYS 11 3HE LYS 11 6.436 -14.867 7.244 72 HZ1 LYS 11 3HZ LYS 11 8.667 -15.460 6.279 73 HZ2 LYS 11 1HZ LYS 11 7.932 -16.661 7.217 74 HZ3 LYS 11 2HZ LYS 11 9.197 -15.741 7.861 75 H LEU 12 H LEU 12 3.672 -10.830 10.180 76 HA LEU 12 HA LEU 12 4.759 -10.626 12.764 77 HB2 LEU 12 2HB LEU 12 2.256 -9.655 11.458 78 HB3 LEU 12 3HB LEU 12 2.451 -9.482 13.201 79 HG LEU 12 HG LEU 12 4.503 -8.417 11.287 80 HD11 LEU 12 1HD1 LEU 12 1.804 -7.381 11.854 81 HD12 LEU 12 2HD1 LEU 12 2.860 -7.110 10.469 82 HD13 LEU 12 3HD1 LEU 12 3.120 -6.213 11.965 83 HD21 LEU 12 3HD2 LEU 12 4.188 -8.517 14.118 84 HD22 LEU 12 1HD2 LEU 12 4.118 -6.834 13.595 85 HD23 LEU 12 2HD2 LEU 12 5.510 -7.831 13.173 86 H ASN 13 H ASN 13 2.167 -12.574 11.454 87 HA ASN 13 HA ASN 13 1.126 -13.382 13.998 88 HB2 ASN 13 2HB ASN 13 0.691 -14.262 11.160 89 HB3 ASN 13 3HB ASN 13 0.046 -15.214 12.494 90 HD21 ASN 13 1HD2 ASN 13 -0.918 -13.180 10.291 91 HD22 ASN 13 2HD2 ASN 13 -2.108 -12.267 11.149 92 H THR 14 H THR 14 3.432 -14.685 11.684 93 HA THR 14 HA THR 14 3.832 -17.065 13.330 94 HB THR 14 HB THR 14 3.675 -17.340 10.875 95 HG1 THR 14 HG1 THR 14 5.581 -18.647 10.728 96 HG21 THR 14 3HG2 THR 14 4.713 -15.901 9.529 97 HG22 THR 14 1HG2 THR 14 6.259 -16.558 10.065 98 HG23 THR 14 2HG2 THR 14 5.552 -15.174 10.900 99 H LEU 15 H LEU 15 4.697 -14.238 14.019 100 HA LEU 15 HA LEU 15 7.549 -14.213 13.911 101 HB2 LEU 15 2HB LEU 15 5.417 -12.521 14.966 102 HB3 LEU 15 3HB LEU 15 6.867 -12.526 15.968 103 HG LEU 15 HG LEU 15 6.746 -11.794 13.042 104 HD11 LEU 15 1HD1 LEU 15 6.750 -9.589 13.632 105 HD12 LEU 15 2HD1 LEU 15 7.493 -9.893 15.202 106 HD13 LEU 15 3HD1 LEU 15 5.785 -10.252 14.951 107 HD21 LEU 15 3HD2 LEU 15 9.113 -10.870 14.119 108 HD22 LEU 15 1HD2 LEU 15 8.923 -12.274 13.068 109 HD23 LEU 15 2HD2 LEU 15 8.939 -12.480 14.820 110 H GLU 16 H GLU 16 9.037 -14.597 15.553 111 HA GLU 16 HA GLU 16 8.043 -15.852 18.007 112 HB2 GLU 16 2HB GLU 16 9.702 -17.123 15.898 113 HB3 GLU 16 3HB GLU 16 10.158 -17.443 17.566 114 HG2 GLU 16 2HG GLU 16 7.787 -18.146 17.977 115 HG3 GLU 16 3HG GLU 16 7.528 -18.035 16.237 116 H ASP 17 H ASP 17 9.705 -16.027 19.690 117 HA ASP 17 HA ASP 17 11.257 -13.620 19.829 118 HB2 ASP 17 2HB ASP 17 10.031 -14.842 21.749 119 HB3 ASP 17 3HB ASP 17 11.445 -15.892 21.792 120 H SER 18 H SER 18 12.795 -13.823 18.174 121 HA SER 18 HA SER 18 15.112 -15.420 18.926 122 HB2 SER 18 2HB SER 18 13.488 -15.845 16.469 123 HB3 SER 18 3HB SER 18 15.242 -15.917 16.299 124 HG SER 18 HG SER 18 15.303 -17.568 17.791 125 H GLN 19 H GLN 19 16.993 -14.394 18.544 126 HA GLN 19 HA GLN 19 17.072 -11.680 17.960 127 HB2 GLN 19 2HB GLN 19 19.126 -13.844 18.077 128 HB3 GLN 19 3HB GLN 19 19.589 -12.279 17.420 129 HG2 GLN 19 2HG GLN 19 18.238 -12.512 20.082 130 HG3 GLN 19 3HG GLN 19 19.980 -12.720 19.909 131 HE21 GLN 19 1HE2 GLN 19 17.324 -10.495 19.740 132 HE22 GLN 19 2HE2 GLN 19 18.270 -9.050 19.691 133 H GLU 20 H GLU 20 17.544 -14.462 15.839 134 HA GLU 20 HA GLU 20 18.255 -12.877 13.560 135 HB2 GLU 20 2HB GLU 20 17.620 -15.770 14.015 136 HB3 GLU 20 3HB GLU 20 17.692 -15.139 12.375 137 HG2 GLU 20 2HG GLU 20 19.907 -15.073 14.411 138 HG3 GLU 20 3HG GLU 20 19.806 -16.127 13.002 139 H SER 21 H SER 21 15.304 -14.239 14.862 140 HA SER 21 HA SER 21 13.661 -13.972 12.605 141 HB2 SER 21 2HB SER 21 13.002 -15.252 14.603 142 HB3 SER 21 3HB SER 21 12.894 -13.754 15.528 143 HG SER 21 HG SER 21 11.422 -14.045 13.151 144 H ILE 22 H ILE 22 14.198 -11.741 15.324 145 HA ILE 22 HA ILE 22 12.500 -9.697 14.469 146 HB ILE 22 HB ILE 22 15.077 -9.405 16.017 147 HG12 ILE 22 2HG1 ILE 22 13.482 -11.000 17.037 148 HG13 ILE 22 3HG1 ILE 22 13.690 -9.550 18.014 149 HG21 ILE 22 1HG2 ILE 22 12.695 -7.576 15.757 150 HG22 ILE 22 2HG2 ILE 22 14.024 -7.349 16.893 151 HG23 ILE 22 3HG2 ILE 22 14.326 -7.278 15.157 152 HD11 ILE 22 3HD1 ILE 22 11.520 -9.147 17.953 153 HD12 ILE 22 1HD1 ILE 22 11.513 -9.193 16.190 154 HD13 ILE 22 2HD1 ILE 22 11.301 -10.681 17.113 155 H SER 23 H SER 23 15.856 -10.393 13.646 156 HA SER 23 HA SER 23 16.248 -7.978 12.163 157 HB2 SER 23 2HB SER 23 18.008 -9.597 13.247 158 HB3 SER 23 3HB SER 23 17.895 -10.441 11.703 159 HG SER 23 HG SER 23 19.466 -8.534 12.098 160 H SER 24 H SER 24 15.206 -11.239 11.413 161 HA SER 24 HA SER 24 15.478 -11.209 8.639 162 HB2 SER 24 2HB SER 24 13.657 -12.661 10.528 163 HB3 SER 24 3HB SER 24 13.401 -12.803 8.789 164 HG SER 24 HG SER 24 15.148 -13.980 8.625 165 H ALA 25 H ALA 25 12.675 -10.280 10.626 166 HA ALA 25 HA ALA 25 11.167 -9.364 8.367 167 HB1 ALA 25 1HB ALA 25 9.969 -10.212 10.257 168 HB2 ALA 25 2HB ALA 25 10.737 -9.042 11.332 169 HB3 ALA 25 3HB ALA 25 9.602 -8.494 10.099 170 H SER 26 H SER 26 13.004 -7.806 10.968 171 HA SER 26 HA SER 26 12.395 -5.156 10.440 172 HB2 SER 26 2HB SER 26 13.656 -5.777 12.412 173 HB3 SER 26 3HB SER 26 14.994 -6.359 11.421 174 HG SER 26 HG SER 26 15.508 -4.310 12.107 175 H LYS 27 H LYS 27 15.048 -7.108 9.096 176 HA LYS 27 HA LYS 27 16.228 -5.180 7.492 177 HB2 LYS 27 2HB LYS 27 15.985 -8.164 7.231 178 HB3 LYS 27 3HB LYS 27 16.816 -7.218 6.004 179 HG2 LYS 27 2HG LYS 27 18.581 -6.753 7.355 180 HG3 LYS 27 3HG LYS 27 17.605 -6.781 8.826 181 HD2 LYS 27 2HD LYS 27 18.772 -8.723 9.110 182 HD3 LYS 27 3HD LYS 27 17.393 -9.345 8.200 183 HE2 LYS 27 2HE LYS 27 18.854 -8.839 6.121 184 HE3 LYS 27 3HE LYS 27 20.190 -8.808 7.271 185 HZ1 LYS 27 3HZ LYS 27 19.400 -11.015 6.065 186 HZ2 LYS 27 1HZ LYS 27 18.383 -11.090 7.415 187 HZ3 LYS 27 2HZ LYS 27 20.060 -11.023 7.623 188 H TRP 28 H TRP 28 13.421 -7.217 6.854 189 HA TRP 28 HA TRP 28 13.115 -6.516 4.131 190 HB2 TRP 28 2HB TRP 28 12.049 -8.493 5.203 191 HB3 TRP 28 3HB TRP 28 10.975 -7.404 6.076 192 HD1 TRP 28 HD1 TRP 28 11.917 -7.702 2.309 193 HE1 TRP 28 HE1 TRP 28 9.729 -7.677 0.952 194 HE3 TRP 28 HE3 TRP 28 8.576 -7.356 6.163 195 HZ2 TRP 28 HZ2 TRP 28 6.955 -7.529 1.451 196 HZ3 TRP 28 HZ3 TRP 28 6.173 -7.278 5.638 197 HH2 TRP 28 HH2 TRP 28 5.382 -7.362 3.330 198 H LEU 29 H LEU 29 11.579 -5.275 7.088 199 HA LEU 29 HA LEU 29 9.971 -3.348 5.804 200 HB2 LEU 29 2HB LEU 29 10.992 -3.657 8.605 201 HB3 LEU 29 3HB LEU 29 10.039 -2.253 8.130 202 HG LEU 29 HG LEU 29 8.911 -4.939 7.553 203 HD11 LEU 29 1HD1 LEU 29 8.357 -3.889 10.251 204 HD12 LEU 29 2HD1 LEU 29 9.937 -4.637 10.017 205 HD13 LEU 29 3HD1 LEU 29 8.469 -5.553 9.676 206 HD21 LEU 29 3HD2 LEU 29 7.051 -3.752 7.273 207 HD22 LEU 29 1HD2 LEU 29 8.040 -2.301 7.431 208 HD23 LEU 29 2HD2 LEU 29 7.231 -2.975 8.846 209 H LEU 30 H LEU 30 13.292 -3.323 6.888 210 HA LEU 30 HA LEU 30 13.814 -0.600 6.962 211 HB2 LEU 30 2HB LEU 30 15.292 -2.839 7.285 212 HB3 LEU 30 3HB LEU 30 15.897 -2.280 5.727 213 HG LEU 30 HG LEU 30 17.364 -1.432 7.378 214 HD11 LEU 30 1HD1 LEU 30 17.167 0.956 7.095 215 HD12 LEU 30 2HD1 LEU 30 15.465 0.797 6.662 216 HD13 LEU 30 3HD1 LEU 30 16.711 0.145 5.597 217 HD21 LEU 30 3HD2 LEU 30 14.920 -1.170 8.932 218 HD22 LEU 30 1HD2 LEU 30 15.954 0.255 9.041 219 HD23 LEU 30 2HD2 LEU 30 16.593 -1.332 9.469 220 H LEU 31 H LEU 31 13.666 -2.790 4.203 221 HA LEU 31 HA LEU 31 14.351 -0.631 2.367 222 HB2 LEU 31 2HB LEU 31 13.620 -3.470 1.688 223 HB3 LEU 31 3HB LEU 31 14.446 -2.297 0.664 224 HG LEU 31 HG LEU 31 15.588 -3.574 3.149 225 HD11 LEU 31 1HD1 LEU 31 15.318 -4.607 0.558 226 HD12 LEU 31 2HD1 LEU 31 16.309 -5.236 1.873 227 HD13 LEU 31 3HD1 LEU 31 17.002 -4.105 0.712 228 HD21 LEU 31 3HD2 LEU 31 17.718 -2.560 2.066 229 HD22 LEU 31 1HD2 LEU 31 16.658 -1.528 3.027 230 HD23 LEU 31 2HD2 LEU 31 16.581 -1.474 1.265 231 H GLN 32 H GLN 32 11.736 -1.050 3.977 232 HA GLN 32 HA GLN 32 9.912 -0.740 1.684 233 HB2 GLN 32 2HB GLN 32 9.457 -1.938 4.407 234 HB3 GLN 32 3HB GLN 32 8.120 -1.395 3.402 235 HG2 GLN 32 2HG GLN 32 10.115 -3.554 2.776 236 HG3 GLN 32 3HG GLN 32 8.392 -3.742 3.096 237 HE21 GLN 32 1HE2 GLN 32 9.825 -4.645 0.795 238 HE22 GLN 32 2HE2 GLN 32 9.151 -3.840 -0.576 239 H TYR 33 H TYR 33 11.500 1.354 2.872 240 HA TYR 33 HA TYR 33 10.084 2.917 4.713 241 HB2 TYR 33 2HB TYR 33 11.428 4.829 3.710 242 HB3 TYR 33 3HB TYR 33 12.358 3.467 4.325 243 HD1 TYR 33 HD1 TYR 33 10.820 4.669 1.137 244 HD2 TYR 33 HD2 TYR 33 14.042 2.606 2.998 245 HE1 TYR 33 HE1 TYR 33 11.935 4.455 -1.045 246 HE2 TYR 33 HE2 TYR 33 15.167 2.388 0.822 247 HH TYR 33 HH TYR 33 14.152 2.386 -1.781 248 H ARG 34 H ARG 34 9.511 2.298 1.392 249 HA ARG 34 HA ARG 34 8.179 4.651 0.634 250 HB2 ARG 34 2HB ARG 34 7.858 1.800 -0.309 251 HB3 ARG 34 3HB ARG 34 7.062 3.171 -1.070 252 HG2 ARG 34 2HG ARG 34 9.405 4.150 -1.346 253 HG3 ARG 34 3HG ARG 34 9.987 2.529 -0.960 254 HD2 ARG 34 2HD ARG 34 8.998 1.598 -2.867 255 HD3 ARG 34 3HD ARG 34 7.942 2.990 -3.106 256 HE ARG 34 HE ARG 34 10.603 2.671 -4.080 257 HH11 ARG 34 1HH1 ARG 34 8.290 5.021 -2.963 258 HH12 ARG 34 2HH1 ARG 34 8.992 6.329 -3.856 259 HH21 ARG 34 1HH2 ARG 34 11.536 4.385 -5.261 260 HH22 ARG 34 2HH2 ARG 34 10.838 5.966 -5.164 261 H ASP 35 H ASP 35 7.078 1.766 2.319 262 HA ASP 35 HA ASP 35 4.362 2.859 2.465 263 HB2 ASP 35 2HB ASP 35 5.223 0.176 3.526 264 HB3 ASP 35 3HB ASP 35 3.614 0.698 3.035 265 H ALA 36 H ALA 36 6.205 4.292 3.911 266 HA ALA 36 HA ALA 36 6.668 3.550 6.543 267 HB1 ALA 36 1HB ALA 36 6.162 6.302 6.608 268 HB2 ALA 36 2HB ALA 36 7.722 5.500 6.420 269 HB3 ALA 36 3HB ALA 36 6.793 5.967 4.995 270 HA PRO 37 HA PRO 37 2.521 5.647 7.842 271 HB2 PRO 37 2HB PRO 37 0.825 6.415 5.866 272 HB3 PRO 37 3HB PRO 37 2.084 7.473 6.517 273 HG2 PRO 37 2HG PRO 37 2.100 5.826 4.017 274 HG3 PRO 37 3HG PRO 37 2.667 7.487 4.266 275 HD2 PRO 37 2HD PRO 37 4.352 5.370 4.186 276 HD3 PRO 37 3HD PRO 37 4.664 6.802 5.188 277 H LYS 38 H LYS 38 2.512 3.632 4.963 278 HA LYS 38 HA LYS 38 -0.026 2.442 5.365 279 HB2 LYS 38 2HB LYS 38 2.269 2.063 3.596 280 HB3 LYS 38 3HB LYS 38 1.474 0.550 4.014 281 HG2 LYS 38 2HG LYS 38 -0.054 2.927 3.004 282 HG3 LYS 38 3HG LYS 38 0.680 1.744 1.919 283 HD2 LYS 38 2HD LYS 38 -1.022 0.732 4.135 284 HD3 LYS 38 3HD LYS 38 -1.823 1.512 2.769 285 HE2 LYS 38 2HE LYS 38 -0.227 -0.074 1.386 286 HE3 LYS 38 3HE LYS 38 -0.259 -1.019 2.873 287 HZ1 LYS 38 3HZ LYS 38 -2.880 -0.293 2.323 288 HZ2 LYS 38 1HZ LYS 38 -2.194 -1.836 2.221 289 HZ3 LYS 38 2HZ LYS 38 -2.224 -0.833 0.860 290 H VAL 39 H VAL 39 3.255 1.200 6.014 291 HA VAL 39 HA VAL 39 2.399 -1.135 7.346 292 HB VAL 39 HB VAL 39 5.022 0.336 7.640 293 HG11 VAL 39 1HG1 VAL 39 3.984 -1.882 9.052 294 HG12 VAL 39 2HG1 VAL 39 5.236 -2.486 7.965 295 HG13 VAL 39 3HG1 VAL 39 5.612 -1.208 9.121 296 HG21 VAL 39 3HG2 VAL 39 4.303 -0.406 5.309 297 HG22 VAL 39 1HG2 VAL 39 5.871 -0.975 5.883 298 HG23 VAL 39 2HG2 VAL 39 4.478 -2.057 5.904 299 H ALA 40 H ALA 40 3.155 2.112 8.478 300 HA ALA 40 HA ALA 40 3.160 1.558 11.242 301 HB1 ALA 40 1HB ALA 40 4.048 3.611 10.924 302 HB2 ALA 40 2HB ALA 40 2.997 3.975 9.555 303 HB3 ALA 40 3HB ALA 40 2.384 4.125 11.202 304 H GLU 41 H GLU 41 0.579 2.729 9.090 305 HA GLU 41 HA GLU 41 -1.412 2.899 11.079 306 HB2 GLU 41 2HB GLU 41 -1.435 3.924 8.745 307 HB3 GLU 41 3HB GLU 41 -1.923 2.339 8.162 308 HG2 GLU 41 2HG GLU 41 -3.854 2.478 9.782 309 HG3 GLU 41 3HG GLU 41 -3.419 4.171 10.010 310 H MET 42 H MET 42 -0.578 0.328 8.780 311 HA MET 42 HA MET 42 -2.652 -1.437 9.504 312 HB2 MET 42 2HB MET 42 -0.857 -1.433 7.520 313 HB3 MET 42 3HB MET 42 -0.049 -2.557 8.605 314 HG2 MET 42 2HG MET 42 -2.889 -2.859 7.661 315 HG3 MET 42 3HG MET 42 -1.498 -3.633 6.905 316 HE1 MET 42 3HE MET 42 0.355 -4.711 9.113 317 HE2 MET 42 1HE MET 42 -0.375 -6.293 9.389 318 HE3 MET 42 2HE MET 42 -0.278 -5.641 7.753 319 H TRP 43 H TRP 43 0.751 -1.283 10.535 320 HA TRP 43 HA TRP 43 0.712 -3.457 12.282 321 HB2 TRP 43 2HB TRP 43 2.776 -2.323 11.562 322 HB3 TRP 43 3HB TRP 43 2.331 -0.911 12.515 323 HD1 TRP 43 HD1 TRP 43 3.577 -4.515 12.910 324 HE1 TRP 43 HE1 TRP 43 4.543 -4.791 15.280 325 HE3 TRP 43 HE3 TRP 43 2.209 0.002 14.875 326 HZ2 TRP 43 HZ2 TRP 43 4.703 -3.293 17.667 327 HZ3 TRP 43 HZ3 TRP 43 2.806 0.502 17.209 328 HH2 TRP 43 HH2 TRP 43 4.027 -1.113 18.575 329 H LYS 44 H LYS 44 0.021 -0.032 12.905 330 HA LYS 44 HA LYS 44 -0.406 -0.253 15.669 331 HB2 LYS 44 2HB LYS 44 -0.096 1.897 14.524 332 HB3 LYS 44 3HB LYS 44 -1.639 1.690 13.707 333 HG2 LYS 44 2HG LYS 44 -2.550 1.499 16.161 334 HG3 LYS 44 3HG LYS 44 -1.069 2.381 16.542 335 HD2 LYS 44 2HD LYS 44 -2.513 4.127 16.180 336 HD3 LYS 44 3HD LYS 44 -1.858 3.913 14.555 337 HE2 LYS 44 2HE LYS 44 -4.278 2.360 15.307 338 HE3 LYS 44 3HE LYS 44 -4.463 4.088 15.009 339 HZ1 LYS 44 3HZ LYS 44 -3.110 3.516 12.875 340 HZ2 LYS 44 1HZ LYS 44 -4.777 3.235 12.926 341 HZ3 LYS 44 2HZ LYS 44 -3.697 1.953 13.146 342 H GLU 45 H GLU 45 -2.861 -0.005 13.087 343 HA GLU 45 HA GLU 45 -5.083 -0.542 14.661 344 HB2 GLU 45 2HB GLU 45 -4.463 -0.711 11.766 345 HB3 GLU 45 3HB GLU 45 -5.883 -1.588 12.317 346 HG2 GLU 45 2HG GLU 45 -6.334 0.753 13.522 347 HG3 GLU 45 3HG GLU 45 -5.393 1.316 12.142 348 H TYR 46 H TYR 46 -2.705 -2.706 13.328 349 HA TYR 46 HA TYR 46 -4.241 -5.095 13.746 350 HB2 TYR 46 2HB TYR 46 -2.617 -5.245 12.039 351 HB3 TYR 46 3HB TYR 46 -1.358 -4.558 13.059 352 HD1 TYR 46 HD2 TYR 46 -3.303 -7.584 12.312 353 HD2 TYR 46 HD1 TYR 46 -0.131 -5.928 14.614 354 HE1 TYR 46 HE2 TYR 46 -2.572 -9.851 12.924 355 HE2 TYR 46 HE1 TYR 46 0.610 -8.191 15.231 356 HH TYR 46 HH TYR 46 0.375 -10.390 14.791 357 H MET 47 H MET 47 -1.760 -3.324 15.511 358 HA MET 47 HA MET 47 -1.444 -5.316 17.544 359 HB2 MET 47 2HB MET 47 -0.624 -2.411 17.416 360 HB3 MET 47 3HB MET 47 -0.215 -3.484 18.747 361 HG2 MET 47 2HG MET 47 0.497 -4.272 15.964 362 HG3 MET 47 3HG MET 47 1.471 -3.068 16.806 363 HE1 MET 47 3HE MET 47 2.357 -3.248 18.935 364 HE2 MET 47 1HE MET 47 1.942 -4.543 20.058 365 HE3 MET 47 2HE MET 47 3.486 -4.576 19.207 366 H LEU 48 H LEU 48 -3.634 -2.718 16.973 367 HA LEU 48 HA LEU 48 -4.563 -2.737 19.749 368 HB2 LEU 48 2HB LEU 48 -5.441 -0.998 17.450 369 HB3 LEU 48 3HB LEU 48 -5.893 -0.803 19.142 370 HG LEU 48 HG LEU 48 -3.061 -0.554 18.143 371 HD11 LEU 48 1HD1 LEU 48 -4.610 1.119 17.112 372 HD12 LEU 48 2HD1 LEU 48 -3.330 1.810 18.108 373 HD13 LEU 48 3HD1 LEU 48 -4.973 1.694 18.739 374 HD21 LEU 48 3HD2 LEU 48 -3.443 0.958 20.432 375 HD22 LEU 48 1HD2 LEU 48 -2.631 -0.604 20.327 376 HD23 LEU 48 2HD2 LEU 48 -4.344 -0.527 20.741 377 H ARG 49 H ARG 49 -4.981 -5.038 18.061 378 HA ARG 49 HA ARG 49 -7.919 -4.987 17.824 379 HB2 ARG 49 2HB ARG 49 -5.802 -6.220 16.147 380 HB3 ARG 49 3HB ARG 49 -7.278 -7.149 16.369 381 HG2 ARG 49 2HG ARG 49 -8.600 -5.498 15.352 382 HG3 ARG 49 3HG ARG 49 -7.321 -4.288 15.468 383 HD2 ARG 49 2HD ARG 49 -6.236 -5.063 13.634 384 HD3 ARG 49 3HD ARG 49 -6.684 -6.740 13.947 385 HE ARG 49 HE ARG 49 -8.088 -4.853 12.310 386 HH11 ARG 49 1HH1 ARG 49 -8.420 -7.700 14.286 387 HH12 ARG 49 2HH1 ARG 49 -9.849 -8.254 13.477 388 HH21 ARG 49 1HH2 ARG 49 -9.969 -5.571 11.237 389 HH22 ARG 49 2HH2 ARG 49 -10.729 -7.043 11.743 390 HA PRO 50 HA PRO 50 -8.213 -8.067 20.939 391 HB2 PRO 50 2HB PRO 50 -10.411 -9.428 20.109 392 HB3 PRO 50 3HB PRO 50 -10.492 -7.806 20.806 393 HG2 PRO 50 2HG PRO 50 -10.552 -8.636 17.931 394 HG3 PRO 50 3HG PRO 50 -11.539 -7.422 18.766 395 HD2 PRO 50 2HD PRO 50 -9.401 -6.764 17.239 396 HD3 PRO 50 3HD PRO 50 -9.880 -5.824 18.667 397 H SER 51 H SER 51 -8.537 -9.263 17.608 398 HA SER 51 HA SER 51 -8.160 -11.958 17.999 399 HB2 SER 51 2HB SER 51 -8.679 -11.149 15.804 400 HB3 SER 51 3HB SER 51 -7.202 -10.187 15.743 401 HG SER 51 HG SER 51 -6.669 -11.971 14.642 402 H VAL 52 H VAL 52 -5.668 -9.456 17.647 403 HA VAL 52 HA VAL 52 -3.446 -11.181 17.800 404 HB VAL 52 HB VAL 52 -3.632 -8.268 18.581 405 HG11 VAL 52 1HG1 VAL 52 -1.215 -8.218 18.274 406 HG12 VAL 52 2HG1 VAL 52 -1.662 -9.372 19.531 407 HG13 VAL 52 3HG1 VAL 52 -1.212 -9.946 17.925 408 HG21 VAL 52 3HG2 VAL 52 -3.185 -9.678 15.983 409 HG22 VAL 52 1HG2 VAL 52 -4.209 -8.288 16.343 410 HG23 VAL 52 2HG2 VAL 52 -2.458 -8.096 16.265 411 H ASN 53 H ASN 53 -2.500 -12.181 19.459 412 HA ASN 53 HA ASN 53 -3.641 -11.896 22.106 413 HB2 ASN 53 2HB ASN 53 -1.632 -13.786 20.891 414 HB3 ASN 53 3HB ASN 53 -1.952 -13.762 22.622 415 HD21 ASN 53 1HD2 ASN 53 -2.475 -15.703 20.344 416 HD22 ASN 53 2HD2 ASN 53 -4.134 -16.140 20.550 417 H THR 54 H THR 54 -1.730 -12.282 23.878 418 HA THR 54 HA THR 54 -0.440 -9.763 24.065 419 HB THR 54 HB THR 54 0.786 -11.625 25.851 420 HG1 THR 54 HG1 THR 54 -0.778 -13.031 26.076 421 HG21 THR 54 3HG2 THR 54 -0.749 -10.295 27.480 422 HG22 THR 54 1HG2 THR 54 -1.130 -9.333 26.052 423 HG23 THR 54 2HG2 THR 54 0.536 -9.450 26.618 424 H ARG 55 H ARG 55 0.819 -13.057 23.569 425 HA ARG 55 HA ARG 55 3.520 -12.455 23.422 426 HB2 ARG 55 2HB ARG 55 3.690 -14.510 21.983 427 HB3 ARG 55 3HB ARG 55 2.839 -14.740 23.505 428 HG2 ARG 55 2HG ARG 55 0.694 -14.461 22.245 429 HG3 ARG 55 3HG ARG 55 1.644 -14.487 20.758 430 HD2 ARG 55 2HD ARG 55 0.853 -16.696 21.099 431 HD3 ARG 55 3HD ARG 55 2.566 -16.701 21.515 432 HE ARG 55 HE ARG 55 2.010 -17.167 23.693 433 HH11 ARG 55 1HH1 ARG 55 -0.840 -16.200 21.944 434 HH12 ARG 55 2HH1 ARG 55 -1.930 -16.640 23.217 435 HH21 ARG 55 1HH2 ARG 55 0.586 -17.751 25.377 436 HH22 ARG 55 2HH2 ARG 55 -1.118 -17.521 25.169 437 H ARG 56 H ARG 56 1.126 -12.532 20.795 438 HA ARG 56 HA ARG 56 2.827 -11.926 18.679 439 HB2 ARG 56 2HB ARG 56 -0.090 -11.586 19.187 440 HB3 ARG 56 3HB ARG 56 0.607 -10.755 17.803 441 HG2 ARG 56 2HG ARG 56 0.945 -12.667 16.650 442 HG3 ARG 56 3HG ARG 56 1.295 -13.610 18.100 443 HD2 ARG 56 2HD ARG 56 -0.747 -14.455 17.323 444 HD3 ARG 56 3HD ARG 56 -1.187 -13.372 18.642 445 HE ARG 56 HE ARG 56 -1.366 -11.771 16.486 446 HH11 ARG 56 1HH1 ARG 56 -2.637 -14.936 17.183 447 HH12 ARG 56 2HH1 ARG 56 -4.044 -14.732 16.193 448 HH21 ARG 56 1HH2 ARG 56 -3.215 -11.490 15.179 449 HH22 ARG 56 2HH2 ARG 56 -4.371 -12.772 15.053 450 H LYS 57 H LYS 57 1.068 -9.753 20.858 451 HA LYS 57 HA LYS 57 1.803 -7.341 19.614 452 HB2 LYS 57 2HB LYS 57 0.823 -8.098 22.334 453 HB3 LYS 57 3HB LYS 57 1.441 -6.472 22.080 454 HG2 LYS 57 2HG LYS 57 -0.240 -5.943 20.550 455 HG3 LYS 57 3HG LYS 57 -0.662 -7.638 20.293 456 HD2 LYS 57 2HD LYS 57 -1.268 -7.611 22.814 457 HD3 LYS 57 3HD LYS 57 -1.301 -5.857 22.616 458 HE2 LYS 57 2HE LYS 57 -3.093 -5.931 21.145 459 HE3 LYS 57 3HE LYS 57 -2.803 -7.617 20.719 460 HZ1 LYS 57 3HZ LYS 57 -4.503 -6.573 22.707 461 HZ2 LYS 57 1HZ LYS 57 -3.328 -7.540 23.446 462 HZ3 LYS 57 2HZ LYS 57 -4.305 -8.182 22.224 463 H LEU 58 H LEU 58 3.230 -9.015 22.415 464 HA LEU 58 HA LEU 58 5.270 -7.256 23.000 465 HB2 LEU 58 2HB LEU 58 4.676 -9.253 24.323 466 HB3 LEU 58 3HB LEU 58 5.420 -10.266 23.088 467 HG LEU 58 HG LEU 58 6.743 -9.779 25.234 468 HD11 LEU 58 1HD1 LEU 58 8.210 -9.093 22.711 469 HD12 LEU 58 2HD1 LEU 58 7.563 -10.709 22.992 470 HD13 LEU 58 3HD1 LEU 58 8.762 -10.036 24.096 471 HD21 LEU 58 3HD2 LEU 58 7.764 -7.740 25.532 472 HD22 LEU 58 1HD2 LEU 58 6.193 -7.246 24.901 473 HD23 LEU 58 2HD2 LEU 58 7.598 -7.285 23.835 474 H LEU 59 H LEU 59 5.406 -10.028 20.766 475 HA LEU 59 HA LEU 59 8.039 -9.640 19.903 476 HB2 LEU 59 2HB LEU 59 5.646 -11.033 18.818 477 HB3 LEU 59 3HB LEU 59 7.024 -10.784 17.747 478 HG LEU 59 HG LEU 59 6.860 -13.019 18.961 479 HD11 LEU 59 1HD1 LEU 59 9.327 -13.021 19.435 480 HD12 LEU 59 2HD1 LEU 59 9.321 -11.293 19.087 481 HD13 LEU 59 3HD1 LEU 59 8.866 -12.445 17.833 482 HD21 LEU 59 3HD2 LEU 59 8.090 -11.581 21.275 483 HD22 LEU 59 1HD2 LEU 59 7.360 -13.185 21.211 484 HD23 LEU 59 2HD2 LEU 59 6.337 -11.748 21.166 485 H GLY 60 H GLY 60 4.977 -8.501 18.492 486 HA2 GLY 60 2HA GLY 60 5.975 -7.227 16.242 487 HA3 GLY 60 3HA GLY 60 4.532 -6.723 17.109 488 H LEU 61 H LEU 61 5.778 -6.017 19.557 489 HA LEU 61 HA LEU 61 6.473 -3.354 19.033 490 HB2 LEU 61 2HB LEU 61 5.728 -4.690 21.229 491 HB3 LEU 61 3HB LEU 61 7.461 -4.594 21.532 492 HG LEU 61 HG LEU 61 5.525 -2.307 21.214 493 HD11 LEU 61 1HD1 LEU 61 5.367 -3.068 23.401 494 HD12 LEU 61 2HD1 LEU 61 6.577 -1.790 23.509 495 HD13 LEU 61 3HD1 LEU 61 7.080 -3.481 23.488 496 HD21 LEU 61 3HD2 LEU 61 8.533 -2.284 21.396 497 HD22 LEU 61 1HD2 LEU 61 7.511 -0.869 21.648 498 HD23 LEU 61 2HD2 LEU 61 7.535 -1.670 20.077 499 H TYR 62 H TYR 62 8.496 -6.162 19.812 500 HA TYR 62 HA TYR 62 10.952 -4.757 19.819 501 HB2 TYR 62 2HB TYR 62 10.138 -7.624 19.716 502 HB3 TYR 62 3HB TYR 62 11.793 -7.220 19.275 503 HD1 TYR 62 HD1 TYR 62 9.325 -7.230 21.998 504 HD2 TYR 62 HD2 TYR 62 13.371 -6.465 20.930 505 HE1 TYR 62 HE1 TYR 62 9.934 -7.161 24.380 506 HE2 TYR 62 HE2 TYR 62 13.992 -6.395 23.309 507 HH TYR 62 HH TYR 62 11.558 -6.580 25.849 508 H LEU 63 H LEU 63 9.073 -6.308 17.299 509 HA LEU 63 HA LEU 63 11.065 -6.337 15.299 510 HB2 LEU 63 2HB LEU 63 9.062 -7.679 15.114 511 HB3 LEU 63 3HB LEU 63 8.060 -6.230 15.083 512 HG LEU 63 HG LEU 63 8.553 -7.513 12.880 513 HD11 LEU 63 1HD1 LEU 63 7.834 -5.671 11.812 514 HD12 LEU 63 2HD1 LEU 63 9.124 -4.660 12.463 515 HD13 LEU 63 3HD1 LEU 63 7.701 -5.013 13.443 516 HD21 LEU 63 3HD2 LEU 63 11.070 -7.391 13.413 517 HD22 LEU 63 1HD2 LEU 63 10.958 -5.727 12.838 518 HD23 LEU 63 2HD2 LEU 63 10.542 -7.062 11.762 519 H MET 64 H MET 64 8.356 -4.075 15.826 520 HA MET 64 HA MET 64 9.133 -2.255 13.820 521 HB2 MET 64 2HB MET 64 7.437 -0.857 14.616 522 HB3 MET 64 3HB MET 64 6.876 -2.467 15.044 523 HG2 MET 64 2HG MET 64 6.490 -1.480 17.026 524 HG3 MET 64 3HG MET 64 8.189 -1.866 17.288 525 HE1 MET 64 3HE MET 64 7.098 0.037 19.147 526 HE2 MET 64 1HE MET 64 7.198 1.766 18.813 527 HE3 MET 64 2HE MET 64 5.856 0.820 18.168 528 H ASN 65 H ASN 65 10.056 -2.620 17.171 529 HA ASN 65 HA ASN 65 11.301 -0.066 17.430 530 HB2 ASN 65 2HB ASN 65 10.484 -1.569 19.321 531 HB3 ASN 65 3HB ASN 65 11.943 -2.522 19.062 532 HD21 ASN 65 1HD2 ASN 65 12.501 -1.988 21.235 533 HD22 ASN 65 2HD2 ASN 65 13.218 -0.458 21.599 534 H HIS 66 H HIS 66 12.348 -3.240 16.386 535 HA HIS 66 HA HIS 66 15.143 -2.647 16.412 536 HB2 HIS 66 2HB HIS 66 13.922 -4.959 16.410 537 HB3 HIS 66 3HB HIS 66 13.936 -4.761 14.661 538 HD1 HIS 66 HD1 HIS 66 16.463 -4.632 17.508 539 HD2 HIS 66 HD2 HIS 66 16.170 -5.762 13.521 540 HE1 HIS 66 HE1 HIS 66 18.697 -5.630 16.927 541 H VAL 67 H VAL 67 12.629 -2.678 13.917 542 HA VAL 67 HA VAL 67 14.331 -2.059 11.746 543 HB VAL 67 HB VAL 67 12.135 -2.985 11.339 544 HG11 VAL 67 1HG1 VAL 67 10.093 -1.801 11.784 545 HG12 VAL 67 2HG1 VAL 67 11.023 -1.900 13.280 546 HG13 VAL 67 3HG1 VAL 67 10.984 -0.394 12.363 547 HG21 VAL 67 3HG2 VAL 67 12.383 -0.171 10.280 548 HG22 VAL 67 1HG2 VAL 67 13.086 -1.625 9.572 549 HG23 VAL 67 2HG2 VAL 67 11.335 -1.421 9.611 550 H VAL 68 H VAL 68 12.375 -0.041 13.903 551 HA VAL 68 HA VAL 68 12.966 2.412 12.594 552 HB VAL 68 HB VAL 68 12.064 3.501 14.591 553 HG11 VAL 68 1HG1 VAL 68 10.699 1.464 13.049 554 HG12 VAL 68 2HG1 VAL 68 9.950 1.707 14.628 555 HG13 VAL 68 3HG1 VAL 68 10.154 3.071 13.528 556 HG21 VAL 68 3HG2 VAL 68 12.876 2.283 16.410 557 HG22 VAL 68 1HG2 VAL 68 11.152 1.910 16.393 558 HG23 VAL 68 2HG2 VAL 68 12.312 0.746 15.753 559 H GLN 69 H GLN 69 14.446 0.636 15.247 560 HA GLN 69 HA GLN 69 16.204 2.690 16.088 561 HB2 GLN 69 2HB GLN 69 16.007 -0.254 16.515 562 HB3 GLN 69 3HB GLN 69 17.528 0.537 16.907 563 HG2 GLN 69 2HG GLN 69 16.281 2.098 18.371 564 HG3 GLN 69 3HG GLN 69 14.817 1.171 18.047 565 HE21 GLN 69 1HE2 GLN 69 14.480 0.472 20.107 566 HE22 GLN 69 2HE2 GLN 69 15.531 -0.624 20.929 567 H GLN 70 H GLN 70 16.567 -0.016 13.830 568 HA GLN 70 HA GLN 70 19.301 0.583 13.232 569 HB2 GLN 70 2HB GLN 70 17.245 -1.299 12.154 570 HB3 GLN 70 3HB GLN 70 18.687 -0.981 11.199 571 HG2 GLN 70 2HG GLN 70 18.876 -1.807 14.070 572 HG3 GLN 70 3HG GLN 70 18.690 -2.993 12.780 573 HE21 GLN 70 1HE2 GLN 70 20.262 -2.561 10.891 574 HE22 GLN 70 2HE2 GLN 70 21.903 -2.274 11.350 575 H ALA 71 H ALA 71 16.197 1.486 11.917 576 HA ALA 71 HA ALA 71 16.849 2.352 9.384 577 HB1 ALA 71 1HB ALA 71 14.690 2.711 11.196 578 HB2 ALA 71 2HB ALA 71 15.085 4.275 10.484 579 HB3 ALA 71 3HB ALA 71 14.703 2.904 9.443 580 H LYS 72 H LYS 72 17.590 3.823 12.460 581 HA LYS 72 HA LYS 72 18.184 6.424 11.678 582 HB2 LYS 72 2HB LYS 72 18.968 4.651 13.911 583 HB3 LYS 72 3HB LYS 72 20.043 6.009 13.603 584 HG2 LYS 72 2HG LYS 72 17.954 7.465 13.666 585 HG3 LYS 72 3HG LYS 72 17.142 6.059 14.359 586 HD2 LYS 72 2HD LYS 72 18.458 6.097 16.284 587 HD3 LYS 72 3HD LYS 72 19.709 7.083 15.523 588 HE2 LYS 72 2HE LYS 72 16.922 8.102 16.006 589 HE3 LYS 72 3HE LYS 72 18.196 8.235 17.216 590 HZ1 LYS 72 3HZ LYS 72 18.182 9.425 14.498 591 HZ2 LYS 72 1HZ LYS 72 19.533 9.421 15.517 592 HZ3 LYS 72 2HZ LYS 72 18.131 10.248 15.975 593 H GLY 73 H GLY 73 20.044 3.474 11.328 594 HA2 GLY 73 2HA GLY 73 22.460 4.831 10.533 595 HA3 GLY 73 3HA GLY 73 22.164 3.100 10.468 596 H GLN 74 H GLN 74 19.629 3.624 8.931 597 HA GLN 74 HA GLN 74 20.912 3.767 6.314 598 HB2 GLN 74 2HB GLN 74 18.324 2.681 7.340 599 HB3 GLN 74 3HB GLN 74 18.446 3.116 5.641 600 HG2 GLN 74 2HG GLN 74 18.909 0.784 5.883 601 HG3 GLN 74 3HG GLN 74 20.397 1.618 5.436 602 HE21 GLN 74 1HE2 GLN 74 18.690 1.060 8.498 603 HE22 GLN 74 2HE2 GLN 74 20.047 0.388 9.330 604 H LYS 75 H LYS 75 20.092 6.078 8.195 605 HA LYS 75 HA LYS 75 19.277 8.196 8.013 606 HB2 LYS 75 2HB LYS 75 19.494 7.812 5.030 607 HB3 LYS 75 3HB LYS 75 19.633 9.311 5.939 608 HG2 LYS 75 2HG LYS 75 21.585 7.019 5.963 609 HG3 LYS 75 3HG LYS 75 21.806 8.585 5.179 610 HD2 LYS 75 2HD LYS 75 21.392 9.537 7.565 611 HD3 LYS 75 3HD LYS 75 21.806 7.904 8.093 612 HE2 LYS 75 2HE LYS 75 23.579 9.355 6.171 613 HE3 LYS 75 3HE LYS 75 23.665 9.717 7.894 614 HZ1 LYS 75 3HZ LYS 75 24.312 7.206 6.497 615 HZ2 LYS 75 1HZ LYS 75 23.873 7.176 8.130 616 HZ3 LYS 75 2HZ LYS 75 25.227 8.060 7.635 617 H ILE 76 H ILE 76 17.252 6.668 8.574 618 HA ILE 76 HA ILE 76 15.134 7.355 6.643 619 HB ILE 76 HB ILE 76 14.897 5.181 8.708 620 HG12 ILE 76 2HG1 ILE 76 16.820 4.628 7.303 621 HG13 ILE 76 3HG1 ILE 76 15.466 3.567 6.933 622 HG21 ILE 76 1HG2 ILE 76 13.315 4.412 6.725 623 HG22 ILE 76 2HG2 ILE 76 12.778 5.548 7.961 624 HG23 ILE 76 3HG2 ILE 76 13.314 6.143 6.390 625 HD11 ILE 76 3HD1 ILE 76 14.952 4.965 4.972 626 HD12 ILE 76 1HD1 ILE 76 16.378 5.940 5.326 627 HD13 ILE 76 2HD1 ILE 76 16.557 4.237 4.902 628 H ILE 77 H ILE 77 13.669 8.783 7.293 629 HA ILE 77 HA ILE 77 13.384 9.274 10.186 630 HB ILE 77 HB ILE 77 12.887 11.276 7.983 631 HG12 ILE 77 2HG1 ILE 77 15.271 10.677 8.091 632 HG13 ILE 77 3HG1 ILE 77 14.998 12.322 8.655 633 HG21 ILE 77 1HG2 ILE 77 12.331 11.214 10.812 634 HG22 ILE 77 2HG2 ILE 77 13.395 12.558 10.403 635 HG23 ILE 77 3HG2 ILE 77 11.837 12.391 9.595 636 HD11 ILE 77 3HD1 ILE 77 14.832 10.681 10.921 637 HD12 ILE 77 1HD1 ILE 77 16.231 10.126 10.002 638 HD13 ILE 77 2HD1 ILE 77 16.112 11.816 10.493 639 H GLN 78 H GLN 78 11.796 8.504 7.235 640 HA GLN 78 HA GLN 78 9.170 9.309 7.882 641 HB2 GLN 78 2HB GLN 78 10.207 7.160 6.034 642 HB3 GLN 78 3HB GLN 78 8.507 7.591 6.157 643 HG2 GLN 78 2HG GLN 78 9.311 8.753 4.294 644 HG3 GLN 78 3HG GLN 78 9.206 9.953 5.582 645 HE21 GLN 78 1HE2 GLN 78 10.832 11.311 5.507 646 HE22 GLN 78 2HE2 GLN 78 12.471 10.926 5.120 647 H PHE 79 H PHE 79 10.893 6.242 8.330 648 HA PHE 79 HA PHE 79 8.711 4.825 9.429 649 HB2 PHE 79 2HB PHE 79 11.600 4.406 9.108 650 HB3 PHE 79 3HB PHE 79 10.917 3.618 10.526 651 HD1 PHE 79 HD2 PHE 79 8.386 2.636 9.794 652 HD2 PHE 79 HD1 PHE 79 11.882 2.931 7.385 653 HE1 PHE 79 HE2 PHE 79 7.559 0.803 8.377 654 HE2 PHE 79 HE1 PHE 79 11.061 1.099 5.963 655 HZ PHE 79 HZ PHE 79 8.897 0.031 6.459 656 H GLN 80 H GLN 80 11.240 6.816 10.858 657 HA GLN 80 HA GLN 80 10.815 6.195 13.549 658 HB2 GLN 80 2HB GLN 80 11.656 8.863 12.402 659 HB3 GLN 80 3HB GLN 80 11.918 8.309 14.050 660 HG2 GLN 80 2HG GLN 80 13.344 6.497 13.184 661 HG3 GLN 80 3HG GLN 80 13.128 7.138 11.556 662 HE21 GLN 80 1HE2 GLN 80 15.588 6.802 12.986 663 HE22 GLN 80 2HE2 GLN 80 16.298 8.368 13.149 664 H ASP 81 H ASP 81 9.477 8.894 11.644 665 HA ASP 81 HA ASP 81 7.746 9.771 13.725 666 HB2 ASP 81 2HB ASP 81 8.586 11.197 11.829 667 HB3 ASP 81 3HB ASP 81 7.478 10.332 10.767 668 H SER 82 H SER 82 7.370 7.648 10.943 669 HA SER 82 HA SER 82 4.575 7.395 11.003 670 HB2 SER 82 2HB SER 82 6.806 5.703 9.930 671 HB3 SER 82 3HB SER 82 5.160 5.069 9.939 672 HG SER 82 HG SER 82 4.544 6.952 8.755 673 H PHE 83 H PHE 83 7.053 5.199 12.331 674 HA PHE 83 HA PHE 83 5.142 3.620 13.742 675 HB2 PHE 83 2HB PHE 83 8.114 3.732 13.563 676 HB3 PHE 83 3HB PHE 83 7.408 2.917 14.955 677 HD1 PHE 83 HD1 PHE 83 5.186 1.465 14.037 678 HD2 PHE 83 HD2 PHE 83 8.838 2.238 11.992 679 HE1 PHE 83 HE1 PHE 83 4.852 -0.562 12.682 680 HE2 PHE 83 HE2 PHE 83 8.509 0.213 10.633 681 HZ PHE 83 HZ PHE 83 6.514 -1.189 10.977 682 H GLY 84 H GLY 84 6.743 6.574 14.395 683 HA2 GLY 84 2HA GLY 84 6.587 6.374 17.273 684 HA3 GLY 84 3HA GLY 84 7.047 7.794 16.347 685 H LYS 85 H LYS 85 4.695 7.862 14.701 686 HA LYS 85 HA LYS 85 2.992 9.352 16.424 687 HB2 LYS 85 2HB LYS 85 1.610 9.698 14.455 688 HB3 LYS 85 3HB LYS 85 3.306 9.904 14.040 689 HG2 LYS 85 2HG LYS 85 3.365 8.018 12.749 690 HG3 LYS 85 3HG LYS 85 2.060 7.233 13.642 691 HD2 LYS 85 2HD LYS 85 1.481 9.703 12.066 692 HD3 LYS 85 3HD LYS 85 1.650 8.159 11.226 693 HE2 LYS 85 2HE LYS 85 -0.124 7.195 12.516 694 HE3 LYS 85 3HE LYS 85 -0.202 8.613 13.560 695 HZ1 LYS 85 3HZ LYS 85 -1.450 9.715 12.091 696 HZ2 LYS 85 1HZ LYS 85 -1.757 8.201 11.402 697 HZ3 LYS 85 2HZ LYS 85 -0.548 9.193 10.758 698 H VAL 86 H VAL 86 3.249 6.060 15.822 699 HA VAL 86 HA VAL 86 0.512 5.609 16.821 700 HB VAL 86 HB VAL 86 0.439 3.494 15.616 701 HG11 VAL 86 1HG1 VAL 86 -0.067 5.861 14.562 702 HG12 VAL 86 2HG1 VAL 86 1.264 5.408 13.495 703 HG13 VAL 86 3HG1 VAL 86 -0.170 4.386 13.602 704 HG21 VAL 86 3HG2 VAL 86 3.253 3.938 15.368 705 HG22 VAL 86 1HG2 VAL 86 2.318 2.493 14.984 706 HG23 VAL 86 2HG2 VAL 86 2.549 3.744 13.763 707 H ALA 87 H ALA 87 3.681 5.501 17.619 708 HA ALA 87 HA ALA 87 3.848 2.965 18.926 709 HB1 ALA 87 1HB ALA 87 5.973 3.613 18.625 710 HB2 ALA 87 2HB ALA 87 5.554 5.327 18.612 711 HB3 ALA 87 3HB ALA 87 5.750 4.479 20.145 712 H ALA 88 H ALA 88 3.628 6.293 20.202 713 HA ALA 88 HA ALA 88 3.314 5.694 22.876 714 HB1 ALA 88 1HB ALA 88 3.625 7.944 22.397 715 HB2 ALA 88 2HB ALA 88 2.335 7.970 21.195 716 HB3 ALA 88 3HB ALA 88 1.939 7.878 22.911 717 H GLU 89 H GLU 89 0.989 5.457 20.286 718 HA GLU 89 HA GLU 89 -1.281 5.156 22.032 719 HB2 GLU 89 2HB GLU 89 -1.185 6.007 19.553 720 HB3 GLU 89 3HB GLU 89 -1.289 4.296 19.164 721 HG2 GLU 89 2HG GLU 89 -3.485 5.203 19.108 722 HG3 GLU 89 3HG GLU 89 -3.358 4.172 20.532 723 H VAL 90 H VAL 90 0.374 2.967 19.749 724 HA VAL 90 HA VAL 90 -0.948 0.628 20.468 725 HB VAL 90 HB VAL 90 1.870 0.987 19.446 726 HG11 VAL 90 1HG1 VAL 90 2.101 -1.154 20.122 727 HG12 VAL 90 2HG1 VAL 90 0.360 -1.427 20.211 728 HG13 VAL 90 3HG1 VAL 90 1.186 -1.494 18.654 729 HG21 VAL 90 3HG2 VAL 90 -0.597 1.391 18.213 730 HG22 VAL 90 1HG2 VAL 90 0.974 1.243 17.425 731 HG23 VAL 90 2HG2 VAL 90 -0.047 -0.180 17.630 732 H LEU 91 H LEU 91 2.287 1.675 21.556 733 HA LEU 91 HA LEU 91 2.660 -0.332 23.456 734 HB2 LEU 91 2HB LEU 91 4.461 0.933 24.273 735 HB3 LEU 91 3HB LEU 91 4.364 1.296 22.551 736 HG LEU 91 HG LEU 91 2.943 3.352 23.453 737 HD11 LEU 91 1HD1 LEU 91 3.198 3.913 25.600 738 HD12 LEU 91 2HD1 LEU 91 4.903 3.466 25.613 739 HD13 LEU 91 3HD1 LEU 91 3.666 2.230 25.840 740 HD21 LEU 91 3HD2 LEU 91 4.980 3.442 22.077 741 HD22 LEU 91 1HD2 LEU 91 5.956 3.248 23.534 742 HD23 LEU 91 2HD2 LEU 91 4.960 4.689 23.325 743 H GLY 92 H GLY 92 1.112 2.831 23.732 744 HA2 GLY 92 2HA GLY 92 0.767 2.768 26.548 745 HA3 GLY 92 3HA GLY 92 -0.122 3.783 25.422 746 H ARG 93 H ARG 93 -1.126 1.506 23.881 747 HA ARG 93 HA ARG 93 -3.427 0.944 25.521 748 HB2 ARG 93 2HB ARG 93 -2.672 0.536 22.671 749 HB3 ARG 93 3HB ARG 93 -3.924 -0.503 23.338 750 HG2 ARG 93 2HG ARG 93 -4.042 2.486 23.567 751 HG3 ARG 93 3HG ARG 93 -4.679 1.616 22.170 752 HD2 ARG 93 2HD ARG 93 -5.981 0.221 23.885 753 HD3 ARG 93 3HD ARG 93 -5.579 1.500 25.030 754 HE ARG 93 HE ARG 93 -6.777 2.446 22.591 755 HH11 ARG 93 1HH1 ARG 93 -7.367 1.237 25.802 756 HH12 ARG 93 2HH1 ARG 93 -8.934 1.966 25.929 757 HH21 ARG 93 1HH2 ARG 93 -8.838 3.410 22.746 758 HH22 ARG 93 2HH2 ARG 93 -9.770 3.201 24.190 759 H ILE 94 H ILE 94 -1.047 -1.078 23.797 760 HA ILE 94 HA ILE 94 -1.864 -3.546 24.762 761 HB ILE 94 HB ILE 94 0.316 -4.395 24.193 762 HG12 ILE 94 2HG1 ILE 94 1.185 -1.498 24.089 763 HG13 ILE 94 3HG1 ILE 94 1.685 -2.687 25.286 764 HG21 ILE 94 1HG2 ILE 94 0.190 -2.368 22.086 765 HG22 ILE 94 2HG2 ILE 94 0.021 -4.120 21.989 766 HG23 ILE 94 3HG2 ILE 94 -1.358 -3.125 22.456 767 HD11 ILE 94 3HD1 ILE 94 2.733 -3.997 23.464 768 HD12 ILE 94 1HD1 ILE 94 2.333 -2.690 22.350 769 HD13 ILE 94 2HD1 ILE 94 3.441 -2.398 23.692 770 H ASN 95 H ASN 95 -0.104 -1.020 26.349 771 HA ASN 95 HA ASN 95 1.131 -2.516 28.387 772 HB2 ASN 95 2HB ASN 95 1.738 -0.189 27.909 773 HB3 ASN 95 3HB ASN 95 0.148 0.346 28.443 774 HD21 ASN 95 1HD2 ASN 95 0.180 1.209 30.375 775 HD22 ASN 95 2HD2 ASN 95 1.195 0.739 31.691 776 H GLN 96 H GLN 96 -2.126 -1.324 27.988 777 HA GLN 96 HA GLN 96 -2.910 -1.771 30.710 778 HB2 GLN 96 2HB GLN 96 -4.608 -1.397 28.236 779 HB3 GLN 96 3HB GLN 96 -5.188 -1.341 29.895 780 HG2 GLN 96 2HG GLN 96 -3.495 0.558 30.213 781 HG3 GLN 96 3HG GLN 96 -3.440 0.611 28.451 782 HE21 GLN 96 1HE2 GLN 96 -4.478 2.437 27.975 783 HE22 GLN 96 2HE2 GLN 96 -6.085 2.828 28.474 784 H GLU 97 H GLU 97 -3.319 -3.510 27.649 785 HA GLU 97 HA GLU 97 -4.819 -5.644 28.820 786 HB2 GLU 97 2HB GLU 97 -3.397 -5.405 26.165 787 HB3 GLU 97 3HB GLU 97 -4.385 -6.783 26.627 788 HG2 GLU 97 2HG GLU 97 -5.596 -4.082 26.804 789 HG3 GLU 97 3HG GLU 97 -5.348 -4.781 25.206 790 H PHE 98 H PHE 98 -1.468 -4.916 28.463 791 HA PHE 98 HA PHE 98 -0.527 -7.612 28.752 792 HB2 PHE 98 2HB PHE 98 0.720 -4.908 28.629 793 HB3 PHE 98 3HB PHE 98 1.653 -6.210 29.360 794 HD1 PHE 98 HD2 PHE 98 -0.732 -6.804 26.644 795 HD2 PHE 98 HD1 PHE 98 3.354 -6.195 27.668 796 HE1 PHE 98 HE2 PHE 98 -0.060 -7.573 24.405 797 HE2 PHE 98 HE1 PHE 98 4.033 -6.962 25.431 798 HZ PHE 98 HZ PHE 98 2.325 -7.653 23.797 799 HA PRO 99 HA PRO 99 -0.819 -7.984 33.128 800 HB2 PRO 99 2HB PRO 99 1.085 -9.878 33.524 801 HB3 PRO 99 3HB PRO 99 -0.490 -10.235 32.806 802 HG2 PRO 99 2HG PRO 99 2.148 -9.791 31.462 803 HG3 PRO 99 3HG PRO 99 0.910 -11.014 31.121 804 HD2 PRO 99 2HD PRO 99 1.184 -8.764 29.638 805 HD3 PRO 99 3HD PRO 99 -0.388 -9.544 29.910 806 H ARG 100 H ARG 100 0.658 -8.034 35.098 807 HA ARG 100 HA ARG 100 2.246 -5.706 35.125 808 HB2 ARG 100 2HB ARG 100 2.692 -6.209 37.416 809 HB3 ARG 100 3HB ARG 100 1.036 -6.702 37.090 810 HG2 ARG 100 2HG ARG 100 1.973 -9.039 36.721 811 HG3 ARG 100 3HG ARG 100 3.457 -8.431 37.457 812 HD2 ARG 100 2HD ARG 100 2.335 -9.331 39.269 813 HD3 ARG 100 3HD ARG 100 1.894 -7.626 39.358 814 HE ARG 100 HE ARG 100 -0.280 -8.190 38.886 815 HH11 ARG 100 1HH1 ARG 100 1.793 -10.913 38.247 816 HH12 ARG 100 2HH1 ARG 100 0.483 -12.022 38.012 817 HH21 ARG 100 1HH2 ARG 100 -2.014 -9.640 38.579 818 HH22 ARG 100 2HH2 ARG 100 -1.682 -11.297 38.200 819 H ASP 101 H ASP 101 2.968 -8.996 34.403 820 HA ASP 101 HA ASP 101 5.781 -8.851 34.921 821 HB2 ASP 101 2HB ASP 101 4.179 -10.937 34.703 822 HB3 ASP 101 3HB ASP 101 4.621 -10.828 33.002 823 H LEU 102 H LEU 102 3.796 -8.785 31.969 824 HA LEU 102 HA LEU 102 5.994 -8.349 30.221 825 HB2 LEU 102 2HB LEU 102 3.037 -7.895 29.873 826 HB3 LEU 102 3HB LEU 102 4.220 -7.715 28.579 827 HG LEU 102 HG LEU 102 3.465 -10.254 30.020 828 HD11 LEU 102 1HD1 LEU 102 2.244 -9.017 27.910 829 HD12 LEU 102 2HD1 LEU 102 2.175 -10.743 28.263 830 HD13 LEU 102 3HD1 LEU 102 3.354 -10.126 27.105 831 HD21 LEU 102 3HD2 LEU 102 5.891 -9.532 28.596 832 HD22 LEU 102 1HD2 LEU 102 5.071 -10.917 27.875 833 HD23 LEU 102 2HD2 LEU 102 5.534 -10.955 29.576 834 H LYS 103 H LYS 103 3.976 -6.273 32.133 835 HA LYS 103 HA LYS 103 4.205 -3.841 30.850 836 HB2 LYS 103 2HB LYS 103 3.965 -4.652 33.713 837 HB3 LYS 103 3HB LYS 103 4.314 -2.968 33.347 838 HG2 LYS 103 2HG LYS 103 2.216 -3.654 31.648 839 HG3 LYS 103 3HG LYS 103 1.824 -4.402 33.198 840 HD2 LYS 103 2HD LYS 103 2.098 -2.264 34.322 841 HD3 LYS 103 3HD LYS 103 2.574 -1.504 32.802 842 HE2 LYS 103 2HE LYS 103 0.447 -1.419 32.026 843 HE3 LYS 103 3HE LYS 103 -0.010 -2.936 32.798 844 HZ1 LYS 103 3HZ LYS 103 0.462 -0.483 34.378 845 HZ2 LYS 103 1HZ LYS 103 -0.392 -1.875 34.820 846 HZ3 LYS 103 2HZ LYS 103 -1.046 -0.807 33.683 847 H LYS 104 H LYS 104 6.568 -5.528 32.830 848 HA LYS 104 HA LYS 104 8.415 -3.383 33.032 849 HB2 LYS 104 2HB LYS 104 9.038 -6.336 33.160 850 HB3 LYS 104 3HB LYS 104 9.976 -5.021 33.856 851 HG2 LYS 104 2HG LYS 104 7.176 -5.730 34.701 852 HG3 LYS 104 3HG LYS 104 8.638 -6.306 35.505 853 HD2 LYS 104 2HD LYS 104 8.221 -3.375 35.075 854 HD3 LYS 104 3HD LYS 104 7.408 -4.195 36.410 855 HE2 LYS 104 2HE LYS 104 9.550 -4.961 37.267 856 HE3 LYS 104 3HE LYS 104 10.383 -4.216 35.904 857 HZ1 LYS 104 3HZ LYS 104 10.106 -2.138 36.748 858 HZ2 LYS 104 1HZ LYS 104 10.162 -3.000 38.203 859 HZ3 LYS 104 2HZ LYS 104 8.673 -2.517 37.563 860 H LYS 105 H LYS 105 8.266 -6.227 30.900 861 HA LYS 105 HA LYS 105 10.571 -5.614 29.405 862 HB2 LYS 105 2HB LYS 105 8.135 -7.160 28.502 863 HB3 LYS 105 3HB LYS 105 9.738 -7.229 27.781 864 HG2 LYS 105 2HG LYS 105 10.629 -8.412 29.570 865 HG3 LYS 105 3HG LYS 105 9.323 -7.938 30.658 866 HD2 LYS 105 2HD LYS 105 9.002 -10.236 30.080 867 HD3 LYS 105 3HD LYS 105 7.764 -9.292 29.248 868 HE2 LYS 105 2HE LYS 105 8.437 -10.543 27.485 869 HE3 LYS 105 3HE LYS 105 9.657 -9.276 27.359 870 HZ1 LYS 105 3HZ LYS 105 10.201 -11.897 27.503 871 HZ2 LYS 105 1HZ LYS 105 10.355 -11.452 29.127 872 HZ3 LYS 105 2HZ LYS 105 11.284 -10.676 27.946 873 H LEU 106 H LEU 106 7.272 -4.511 29.195 874 HA LEU 106 HA LEU 106 7.594 -3.335 26.581 875 HB2 LEU 106 2HB LEU 106 5.408 -3.947 26.929 876 HB3 LEU 106 3HB LEU 106 5.431 -3.461 28.623 877 HG LEU 106 HG LEU 106 5.337 -1.100 27.923 878 HD11 LEU 106 1HD1 LEU 106 4.989 -0.464 25.662 879 HD12 LEU 106 2HD1 LEU 106 4.864 -2.144 25.140 880 HD13 LEU 106 3HD1 LEU 106 6.413 -1.506 25.693 881 HD21 LEU 106 3HD2 LEU 106 3.242 -1.912 28.468 882 HD22 LEU 106 1HD2 LEU 106 3.209 -3.037 27.109 883 HD23 LEU 106 2HD2 LEU 106 2.992 -1.309 26.829 884 H SER 107 H SER 107 7.516 -2.211 29.932 885 HA SER 107 HA SER 107 7.745 0.555 29.260 886 HB2 SER 107 2HB SER 107 6.794 0.200 31.365 887 HB3 SER 107 3HB SER 107 7.981 -1.028 31.803 888 HG SER 107 HG SER 107 8.503 0.830 32.901 889 H ARG 108 H ARG 108 9.976 -2.052 29.699 890 HA ARG 108 HA ARG 108 12.276 -0.334 30.049 891 HB2 ARG 108 2HB ARG 108 13.536 -2.289 30.316 892 HB3 ARG 108 3HB ARG 108 11.972 -2.701 31.006 893 HG2 ARG 108 2HG ARG 108 11.361 -3.865 28.954 894 HG3 ARG 108 3HG ARG 108 12.918 -3.435 28.244 895 HD2 ARG 108 2HD ARG 108 12.765 -5.760 29.190 896 HD3 ARG 108 3HD ARG 108 14.098 -4.780 29.800 897 HE ARG 108 HE ARG 108 11.720 -4.686 31.423 898 HH11 ARG 108 1HH1 ARG 108 14.714 -6.346 30.791 899 HH12 ARG 108 2HH1 ARG 108 14.830 -7.017 32.384 900 HH21 ARG 108 1HH2 ARG 108 11.861 -5.564 33.524 901 HH22 ARG 108 2HH2 ARG 108 13.206 -6.572 33.938 902 H VAL 109 H VAL 109 10.735 -2.150 27.468 903 HA VAL 109 HA VAL 109 12.862 -1.726 25.583 904 HB VAL 109 HB VAL 109 11.315 -3.670 25.449 905 HG11 VAL 109 1HG1 VAL 109 9.301 -1.636 24.498 906 HG12 VAL 109 2HG1 VAL 109 9.078 -3.385 24.568 907 HG13 VAL 109 3HG1 VAL 109 9.257 -2.457 26.058 908 HG21 VAL 109 3HG2 VAL 109 11.107 -3.654 23.036 909 HG22 VAL 109 1HG2 VAL 109 11.271 -1.899 23.008 910 HG23 VAL 109 2HG2 VAL 109 12.632 -2.904 23.508 911 H VAL 110 H VAL 110 9.841 -0.147 26.405 912 HA VAL 110 HA VAL 110 9.773 1.561 24.117 913 HB VAL 110 HB VAL 110 8.347 1.675 26.770 914 HG11 VAL 110 1HG1 VAL 110 6.897 3.399 25.573 915 HG12 VAL 110 2HG1 VAL 110 8.473 3.939 26.157 916 HG13 VAL 110 3HG1 VAL 110 8.242 3.576 24.446 917 HG21 VAL 110 3HG2 VAL 110 7.179 1.225 24.038 918 HG22 VAL 110 1HG2 VAL 110 7.812 -0.097 25.018 919 HG23 VAL 110 2HG2 VAL 110 6.465 0.874 25.612 920 H ASN 111 H ASN 111 10.819 1.964 27.483 921 HA ASN 111 HA ASN 111 11.420 4.664 27.464 922 HB2 ASN 111 2HB ASN 111 12.582 2.327 28.951 923 HB3 ASN 111 3HB ASN 111 13.267 3.937 29.154 924 HD21 ASN 111 1HD2 ASN 111 12.123 2.511 31.235 925 HD22 ASN 111 2HD2 ASN 111 10.685 3.322 31.745 926 H ILE 112 H ILE 112 13.344 1.943 26.309 927 HA ILE 112 HA ILE 112 15.786 3.133 25.886 928 HB ILE 112 HB ILE 112 14.374 1.117 24.138 929 HG12 ILE 112 2HG1 ILE 112 16.644 0.553 26.016 930 HG13 ILE 112 3HG1 ILE 112 15.003 0.681 26.640 931 HG21 ILE 112 1HG2 ILE 112 16.080 2.162 22.817 932 HG22 ILE 112 2HG2 ILE 112 17.250 2.016 24.128 933 HG23 ILE 112 3HG2 ILE 112 16.656 0.570 23.311 934 HD11 ILE 112 3HD1 ILE 112 16.230 -1.396 24.926 935 HD12 ILE 112 1HD1 ILE 112 15.090 -1.551 26.263 936 HD13 ILE 112 2HD1 ILE 112 14.524 -1.025 24.677 937 H LEU 113 H LEU 113 12.827 3.535 24.073 938 HA LEU 113 HA LEU 113 13.763 4.619 21.707 939 HB2 LEU 113 2HB LEU 113 11.302 5.290 23.304 940 HB3 LEU 113 3HB LEU 113 11.602 5.897 21.677 941 HG LEU 113 HG LEU 113 11.564 2.951 22.213 942 HD11 LEU 113 1HD1 LEU 113 9.450 3.127 22.917 943 HD12 LEU 113 2HD1 LEU 113 9.074 3.488 21.233 944 HD13 LEU 113 3HD1 LEU 113 9.310 4.803 22.384 945 HD21 LEU 113 3HD2 LEU 113 11.501 4.764 19.888 946 HD22 LEU 113 1HD2 LEU 113 10.456 3.346 19.796 947 HD23 LEU 113 2HD2 LEU 113 12.190 3.148 20.054 948 H LYS 114 H LYS 114 13.326 6.155 24.848 949 HA LYS 114 HA LYS 114 13.905 8.796 23.934 950 HB2 LYS 114 2HB LYS 114 13.690 9.461 26.151 951 HB3 LYS 114 3HB LYS 114 12.665 8.034 26.084 952 HG2 LYS 114 2HG LYS 114 13.795 7.537 27.974 953 HG3 LYS 114 3HG LYS 114 14.941 6.860 26.814 954 HD2 LYS 114 2HD LYS 114 16.374 8.131 28.056 955 HD3 LYS 114 3HD LYS 114 15.885 9.336 26.863 956 HE2 LYS 114 2HE LYS 114 14.291 9.046 29.365 957 HE3 LYS 114 3HE LYS 114 15.844 9.877 29.436 958 HZ1 LYS 114 3HZ LYS 114 13.427 10.625 27.913 959 HZ2 LYS 114 1HZ LYS 114 14.950 11.226 27.485 960 HZ3 LYS 114 2HZ LYS 114 14.312 11.554 29.017 961 H GLU 115 H GLU 115 15.805 6.103 25.066 962 HA GLU 115 HA GLU 115 18.178 7.540 25.655 963 HB2 GLU 115 2HB GLU 115 17.444 4.689 25.257 964 HB3 GLU 115 3HB GLU 115 19.141 5.108 25.076 965 HG2 GLU 115 2HG GLU 115 19.048 6.167 27.329 966 HG3 GLU 115 3HG GLU 115 17.413 5.531 27.500 967 H ARG 116 H ARG 116 17.084 5.773 22.776 968 HA ARG 116 HA ARG 116 19.433 6.570 21.282 969 HB2 ARG 116 2HB ARG 116 16.968 5.206 20.205 970 HB3 ARG 116 3HB ARG 116 18.585 5.213 19.514 971 HG2 ARG 116 2HG ARG 116 17.739 3.858 22.066 972 HG3 ARG 116 3HG ARG 116 18.110 3.073 20.529 973 HD2 ARG 116 2HD ARG 116 19.999 4.577 22.329 974 HD3 ARG 116 3HD ARG 116 20.018 2.855 21.953 975 HE ARG 116 HE ARG 116 20.282 4.168 19.542 976 HH11 ARG 116 1HH1 ARG 116 22.039 3.973 22.541 977 HH12 ARG 116 2HH1 ARG 116 23.583 4.255 21.806 978 HH21 ARG 116 1HH2 ARG 116 22.308 4.540 18.563 979 HH22 ARG 116 2HH2 ARG 116 23.734 4.579 19.543 980 H ASN 117 H ASN 117 16.339 7.820 21.933 981 HA ASN 117 HA ASN 117 15.229 9.671 21.213 982 HB2 ASN 117 2HB ASN 117 17.680 10.407 19.617 983 HB3 ASN 117 3HB ASN 117 16.471 11.482 20.315 984 HD21 ASN 117 1HD2 ASN 117 16.774 12.253 22.308 985 HD22 ASN 117 2HD2 ASN 117 18.070 11.800 23.357 986 H ILE 118 H ILE 118 14.840 7.297 19.799 987 HA ILE 118 HA ILE 118 15.075 7.463 17.025 988 HB ILE 118 HB ILE 118 12.842 6.132 18.563 989 HG12 ILE 118 2HG1 ILE 118 15.089 5.426 19.323 990 HG13 ILE 118 3HG1 ILE 118 14.221 4.124 18.517 991 HG21 ILE 118 1HG2 ILE 118 12.298 6.295 16.234 992 HG22 ILE 118 2HG2 ILE 118 13.899 5.720 15.772 993 HG23 ILE 118 3HG2 ILE 118 12.770 4.632 16.579 994 HD11 ILE 118 3HD1 ILE 118 16.373 5.832 17.289 995 HD12 ILE 118 1HD1 ILE 118 16.559 4.175 17.864 996 HD13 ILE 118 2HD1 ILE 118 15.510 4.519 16.488 997 H PHE 119 H PHE 119 12.228 8.246 19.030 998 HA PHE 119 HA PHE 119 11.041 9.666 16.777 999 HB2 PHE 119 2HB PHE 119 9.844 9.320 19.524 1000 HB3 PHE 119 3HB PHE 119 9.009 9.674 18.015 1001 HD1 PHE 119 HD2 PHE 119 10.165 7.694 16.197 1002 HD2 PHE 119 HD1 PHE 119 8.962 7.315 20.262 1003 HE1 PHE 119 HE2 PHE 119 9.771 5.291 15.852 1004 HE2 PHE 119 HE1 PHE 119 8.567 4.910 19.924 1005 HZ PHE 119 HZ PHE 119 8.970 3.895 17.717 1006 H SER 120 H SER 120 10.010 11.804 17.218 1007 HA SER 120 HA SER 120 11.974 13.582 18.330 1008 HB2 SER 120 2HB SER 120 10.302 13.871 16.270 1009 HB3 SER 120 3HB SER 120 9.287 14.588 17.521 1010 HG SER 120 HG SER 120 10.523 16.280 17.501 1011 H LYS 121 H LYS 121 10.833 15.589 19.548 1012 HA LYS 121 HA LYS 121 10.240 14.628 22.136 1013 HB2 LYS 121 2HB LYS 121 10.624 17.207 20.845 1014 HB3 LYS 121 3HB LYS 121 9.367 17.269 22.074 1015 HG2 LYS 121 2HG LYS 121 11.496 17.859 23.036 1016 HG3 LYS 121 3HG LYS 121 10.940 16.324 23.707 1017 HD2 LYS 121 2HD LYS 121 12.652 15.169 22.805 1018 HD3 LYS 121 3HD LYS 121 12.615 16.094 21.302 1019 HE2 LYS 121 2HE LYS 121 14.658 16.690 22.226 1020 HE3 LYS 121 3HE LYS 121 13.601 18.008 22.731 1021 HZ1 LYS 121 3HZ LYS 121 13.745 15.762 24.557 1022 HZ2 LYS 121 1HZ LYS 121 13.760 17.424 24.878 1023 HZ3 LYS 121 2HZ LYS 121 15.180 16.644 24.392 1024 H GLN 122 H GLN 122 8.213 15.978 19.569 1025 HA GLN 122 HA GLN 122 5.811 16.148 20.972 1026 HB2 GLN 122 2HB GLN 122 6.384 15.646 18.055 1027 HB3 GLN 122 3HB GLN 122 4.752 15.852 18.678 1028 HG2 GLN 122 2HG GLN 122 6.851 17.909 19.214 1029 HG3 GLN 122 3HG GLN 122 5.991 17.878 17.676 1030 HE21 GLN 122 1HE2 GLN 122 5.836 18.633 21.017 1031 HE22 GLN 122 2HE2 GLN 122 4.240 19.294 21.023 1032 H VAL 123 H VAL 123 7.365 13.410 19.417 1033 HA VAL 123 HA VAL 123 5.103 11.662 19.744 1034 HB VAL 123 HB VAL 123 7.975 10.979 19.097 1035 HG11 VAL 123 1HG1 VAL 123 5.436 9.379 19.086 1036 HG12 VAL 123 2HG1 VAL 123 6.820 8.929 18.086 1037 HG13 VAL 123 3HG1 VAL 123 6.982 8.995 19.842 1038 HG21 VAL 123 3HG2 VAL 123 6.747 12.531 17.505 1039 HG22 VAL 123 1HG2 VAL 123 7.399 11.046 16.811 1040 HG23 VAL 123 2HG2 VAL 123 5.676 11.172 17.167 1041 H VAL 124 H VAL 124 8.328 11.892 21.243 1042 HA VAL 124 HA VAL 124 8.056 9.843 23.098 1043 HB VAL 124 HB VAL 124 9.575 12.433 23.439 1044 HG11 VAL 124 1HG1 VAL 124 9.899 9.786 24.848 1045 HG12 VAL 124 2HG1 VAL 124 10.935 11.200 25.050 1046 HG13 VAL 124 3HG1 VAL 124 9.247 11.262 25.558 1047 HG21 VAL 124 3HG2 VAL 124 11.129 11.647 22.045 1048 HG22 VAL 124 1HG2 VAL 124 11.114 10.058 22.810 1049 HG23 VAL 124 2HG2 VAL 124 9.942 10.441 21.549 1050 H ASN 125 H ASN 125 7.097 13.240 23.335 1051 HA ASN 125 HA ASN 125 6.345 13.242 26.035 1052 HB2 ASN 125 2HB ASN 125 5.799 14.942 23.669 1053 HB3 ASN 125 3HB ASN 125 4.656 15.077 25.001 1054 HD21 ASN 125 1HD2 ASN 125 8.112 15.136 24.267 1055 HD22 ASN 125 2HD2 ASN 125 8.530 16.285 25.488 1056 H ASP 126 H ASP 126 4.786 11.967 23.223 1057 HA ASP 126 HA ASP 126 2.154 11.828 24.342 1058 HB2 ASP 126 2HB ASP 126 2.691 11.852 21.875 1059 HB3 ASP 126 3HB ASP 126 3.255 10.192 22.053 1060 H ILE 127 H ILE 127 4.881 9.608 24.044 1061 HA ILE 127 HA ILE 127 3.590 7.285 24.952 1062 HB ILE 127 HB ILE 127 6.498 7.995 25.346 1063 HG12 ILE 127 2HG1 ILE 127 5.146 6.629 23.008 1064 HG13 ILE 127 3HG1 ILE 127 5.812 8.258 22.995 1065 HG21 ILE 127 1HG2 ILE 127 6.633 6.013 26.334 1066 HG22 ILE 127 2HG2 ILE 127 4.929 5.694 26.016 1067 HG23 ILE 127 3HG2 ILE 127 6.145 5.261 24.816 1068 HD11 ILE 127 3HD1 ILE 127 7.233 5.636 23.063 1069 HD12 ILE 127 1HD1 ILE 127 7.466 7.011 21.984 1070 HD13 ILE 127 2HD1 ILE 127 8.022 7.097 23.656 1071 H GLU 128 H GLU 128 5.634 9.593 26.747 1072 HA GLU 128 HA GLU 128 5.447 8.476 29.260 1073 HB2 GLU 128 2HB GLU 128 5.475 11.425 28.595 1074 HB3 GLU 128 3HB GLU 128 5.899 10.718 30.147 1075 HG2 GLU 128 2HG GLU 128 7.352 10.018 27.618 1076 HG3 GLU 128 3HG GLU 128 7.807 11.392 28.624 1077 H ARG 129 H ARG 129 3.344 11.039 27.941 1078 HA ARG 129 HA ARG 129 1.564 11.131 30.097 1079 HB2 ARG 129 2HB ARG 129 0.078 12.338 28.637 1080 HB3 ARG 129 3HB ARG 129 1.728 12.839 28.294 1081 HG2 ARG 129 2HG ARG 129 1.787 11.570 26.288 1082 HG3 ARG 129 3HG ARG 129 0.268 10.763 26.683 1083 HD2 ARG 129 2HD ARG 129 -0.047 12.513 24.999 1084 HD3 ARG 129 3HD ARG 129 -0.925 12.872 26.485 1085 HE ARG 129 HE ARG 129 1.632 14.090 26.515 1086 HH11 ARG 129 1HH1 ARG 129 -1.534 14.376 25.095 1087 HH12 ARG 129 2HH1 ARG 129 -1.421 16.090 24.870 1088 HH21 ARG 129 1HH2 ARG 129 1.793 16.346 26.223 1089 HH22 ARG 129 2HH2 ARG 129 0.473 17.210 25.511 1090 H SER 130 H SER 130 1.792 8.949 27.397 1091 HA SER 130 HA SER 130 -0.801 7.893 27.403 1092 HB2 SER 130 2HB SER 130 1.599 7.379 26.047 1093 HB3 SER 130 3HB SER 130 1.180 5.858 26.836 1094 HG SER 130 HG SER 130 -1.053 6.550 25.889 1095 H LEU 131 H LEU 131 2.128 6.611 28.984 1096 HA LEU 131 HA LEU 131 0.639 4.665 30.471 1097 HB2 LEU 131 2HB LEU 131 3.487 5.614 30.746 1098 HB3 LEU 131 3HB LEU 131 2.794 4.237 31.602 1099 HG LEU 131 HG LEU 131 4.001 3.279 29.854 1100 HD11 LEU 131 1HD1 LEU 131 1.338 2.891 29.987 1101 HD12 LEU 131 2HD1 LEU 131 2.410 1.998 28.909 1102 HD13 LEU 131 3HD1 LEU 131 1.503 3.383 28.301 1103 HD21 LEU 131 3HD2 LEU 131 2.761 5.001 27.752 1104 HD22 LEU 131 1HD2 LEU 131 4.289 4.120 27.727 1105 HD23 LEU 131 2HD2 LEU 131 4.140 5.598 28.677 1106 H ALA 132 H ALA 132 1.713 7.923 30.998 1107 HA ALA 132 HA ALA 132 1.558 7.962 33.823 1108 HB1 ALA 132 1HB ALA 132 1.258 10.220 31.846 1109 HB2 ALA 132 2HB ALA 132 1.498 10.405 33.584 1110 HB3 ALA 132 3HB ALA 132 2.761 9.675 32.593 1111 H ALA 133 H ALA 133 -0.831 8.056 31.335 1112 HA ALA 133 HA ALA 133 -2.892 9.016 33.175 1113 HB1 ALA 133 1HB ALA 133 -3.512 10.048 31.293 1114 HB2 ALA 133 2HB ALA 133 -2.564 8.962 30.276 1115 HB3 ALA 133 3HB ALA 133 -4.174 8.485 30.814 1116 H ALA 134 H ALA 134 -1.790 6.128 31.572 1117 HA ALA 134 HA ALA 134 -4.138 4.574 31.937 1118 HB1 ALA 134 1HB ALA 134 -2.737 2.664 31.400 1119 HB2 ALA 134 2HB ALA 134 -2.403 4.001 30.299 1120 HB3 ALA 134 3HB ALA 134 -1.287 3.643 31.617 1121 H LEU 135 H LEU 135 -1.586 5.535 34.036 1122 HA LEU 135 HA LEU 135 -1.667 3.421 35.899 1123 HB2 LEU 135 2HB LEU 135 0.158 4.996 35.866 1124 HB3 LEU 135 3HB LEU 135 -0.937 6.324 36.241 1125 HG LEU 135 HG LEU 135 -1.315 5.397 38.467 1126 HD11 LEU 135 1HD1 LEU 135 0.683 3.538 38.845 1127 HD12 LEU 135 2HD1 LEU 135 -0.012 3.083 37.290 1128 HD13 LEU 135 3HD1 LEU 135 -1.043 3.201 38.716 1129 HD21 LEU 135 3HD2 LEU 135 0.901 6.720 37.600 1130 HD22 LEU 135 1HD2 LEU 135 1.614 5.328 38.415 1131 HD23 LEU 135 2HD2 LEU 135 0.516 6.395 39.291 1132 H GLU 136 H GLU 136 -3.753 6.128 35.338 1133 HA GLU 136 HA GLU 136 -4.991 6.204 37.893 1134 HB2 GLU 136 2HB GLU 136 -5.026 7.908 35.872 1135 HB3 GLU 136 3HB GLU 136 -6.470 7.010 35.428 1136 HG2 GLU 136 2HG GLU 136 -6.148 8.085 38.196 1137 HG3 GLU 136 3HG GLU 136 -6.691 9.128 36.883 1138 H HIS 137 H HIS 137 -6.435 4.875 38.763 1139 HA HIS 137 HA HIS 137 -8.191 3.303 37.031 1140 HB2 HIS 137 2HB HIS 137 -6.115 2.224 38.870 1141 HB3 HIS 137 3HB HIS 137 -7.666 1.390 38.824 1142 HD1 HIS 137 HD1 HIS 137 -8.315 0.220 36.589 1143 HD2 HIS 137 HD2 HIS 137 -4.514 1.896 36.620 1144 HE1 HIS 137 HE1 HIS 137 -7.139 -0.745 34.587 1145 H HIS 138 H HIS 138 -10.057 2.443 38.127 1146 HA HIS 138 HA HIS 138 -10.660 3.848 40.647 1147 HB2 HIS 138 2HB HIS 138 -12.976 4.048 39.918 1148 HB3 HIS 138 3HB HIS 138 -11.905 4.786 38.731 1149 HD1 HIS 138 HD1 HIS 138 -13.807 1.543 39.257 1150 HD2 HIS 138 HD2 HIS 138 -12.268 3.887 36.192 1151 HE1 HIS 138 HE1 HIS 138 -14.602 0.470 37.127 Start of MODEL 19 1 H ALA 2 H ALA 2 8.924 -8.226 -4.629 2 HA ALA 2 HA ALA 2 7.146 -5.988 -5.288 3 HB1 ALA 2 1HB ALA 2 6.718 -8.422 -6.398 4 HB2 ALA 2 2HB ALA 2 5.770 -8.557 -4.916 5 HB3 ALA 2 3HB ALA 2 5.448 -7.247 -6.052 6 H PHE 3 H PHE 3 5.534 -5.548 -3.680 7 HA PHE 3 HA PHE 3 6.059 -6.786 -1.063 8 HB2 PHE 3 2HB PHE 3 7.187 -4.671 -0.992 9 HB3 PHE 3 3HB PHE 3 5.799 -3.843 -1.692 10 HD1 PHE 3 HD2 PHE 3 6.692 -5.922 1.272 11 HD2 PHE 3 HD1 PHE 3 4.380 -2.707 -0.289 12 HE1 PHE 3 HE2 PHE 3 5.849 -5.435 3.532 13 HE2 PHE 3 HE1 PHE 3 3.534 -2.214 1.968 14 HZ PHE 3 HZ PHE 3 4.267 -3.580 3.882 15 H SER 4 H SER 4 4.303 -7.069 0.271 16 HA SER 4 HA SER 4 1.708 -6.027 -0.544 17 HB2 SER 4 2HB SER 4 2.272 -8.380 -1.599 18 HB3 SER 4 3HB SER 4 1.843 -8.966 0.008 19 HG SER 4 HG SER 4 -0.185 -8.506 -0.363 20 H SER 5 H SER 5 0.371 -5.657 1.144 21 HA SER 5 HA SER 5 1.367 -5.579 3.747 22 HB2 SER 5 2HB SER 5 -0.888 -5.000 4.437 23 HB3 SER 5 3HB SER 5 -0.533 -4.206 2.903 24 HG SER 5 HG SER 5 -2.564 -5.143 2.783 25 H GLU 6 H GLU 6 -0.331 -8.095 2.033 26 HA GLU 6 HA GLU 6 -1.175 -9.641 4.221 27 HB2 GLU 6 2HB GLU 6 -1.904 -9.946 1.847 28 HB3 GLU 6 3HB GLU 6 -0.333 -10.656 1.503 29 HG2 GLU 6 2HG GLU 6 -0.782 -12.441 3.103 30 HG3 GLU 6 3HG GLU 6 -2.354 -11.728 3.458 31 H GLN 7 H GLN 7 1.907 -9.385 2.580 32 HA GLN 7 HA GLN 7 3.087 -11.704 3.720 33 HB2 GLN 7 2HB GLN 7 3.937 -9.461 2.050 34 HB3 GLN 7 3HB GLN 7 5.186 -9.996 3.167 35 HG2 GLN 7 2HG GLN 7 4.834 -12.319 2.315 36 HG3 GLN 7 3HG GLN 7 3.770 -11.638 1.085 37 HE21 GLN 7 1HE2 GLN 7 4.632 -10.631 -0.661 38 HE22 GLN 7 2HE2 GLN 7 6.328 -10.535 -0.979 39 H PHE 8 H PHE 8 3.375 -8.242 4.506 40 HA PHE 8 HA PHE 8 5.060 -8.519 6.714 41 HB2 PHE 8 2HB PHE 8 4.680 -6.351 5.717 42 HB3 PHE 8 3HB PHE 8 2.967 -6.421 6.115 43 HD1 PHE 8 HD2 PHE 8 6.251 -6.710 7.868 44 HD2 PHE 8 HD1 PHE 8 2.280 -5.179 7.907 45 HE1 PHE 8 HE2 PHE 8 6.708 -5.589 10.010 46 HE2 PHE 8 HE1 PHE 8 2.730 -4.055 10.049 47 HZ PHE 8 HZ PHE 8 4.946 -4.260 11.104 48 H THR 9 H THR 9 1.514 -8.401 6.564 49 HA THR 9 HA THR 9 1.066 -8.622 9.335 50 HB THR 9 HB THR 9 -0.810 -9.659 7.213 51 HG1 THR 9 HG1 THR 9 -1.430 -7.593 6.828 52 HG21 THR 9 3HG2 THR 9 -1.265 -9.998 9.696 53 HG22 THR 9 1HG2 THR 9 -2.532 -9.203 8.763 54 HG23 THR 9 2HG2 THR 9 -1.462 -8.249 9.791 55 H THR 10 H THR 10 0.914 -11.107 6.782 56 HA THR 10 HA THR 10 0.400 -13.291 8.438 57 HB THR 10 HB THR 10 1.920 -13.237 5.824 58 HG1 THR 10 HG1 THR 10 -0.805 -13.896 6.334 59 HG21 THR 10 3HG2 THR 10 1.039 -15.449 7.598 60 HG22 THR 10 1HG2 THR 10 2.436 -15.346 6.527 61 HG23 THR 10 2HG2 THR 10 0.836 -15.670 5.860 62 H LYS 11 H LYS 11 3.488 -11.914 7.374 63 HA LYS 11 HA LYS 11 5.171 -13.850 8.504 64 HB2 LYS 11 2HB LYS 11 5.533 -10.968 7.749 65 HB3 LYS 11 3HB LYS 11 6.823 -11.834 8.572 66 HG2 LYS 11 2HG LYS 11 5.555 -12.802 6.025 67 HG3 LYS 11 3HG LYS 11 6.983 -11.766 6.071 68 HD2 LYS 11 2HD LYS 11 6.875 -14.359 7.581 69 HD3 LYS 11 3HD LYS 11 7.337 -14.302 5.878 70 HE2 LYS 11 2HE LYS 11 8.954 -12.403 6.752 71 HE3 LYS 11 3HE LYS 11 8.759 -13.264 8.278 72 HZ1 LYS 11 3HZ LYS 11 9.368 -15.324 6.965 73 HZ2 LYS 11 1HZ LYS 11 10.615 -14.218 7.258 74 HZ3 LYS 11 2HZ LYS 11 9.879 -14.280 5.736 75 H LEU 12 H LEU 12 3.768 -10.905 9.857 76 HA LEU 12 HA LEU 12 5.182 -10.892 12.285 77 HB2 LEU 12 2HB LEU 12 2.516 -9.794 11.454 78 HB3 LEU 12 3HB LEU 12 3.108 -9.621 13.104 79 HG LEU 12 HG LEU 12 4.901 -8.711 10.924 80 HD11 LEU 12 1HD1 LEU 12 2.199 -7.845 11.048 81 HD12 LEU 12 2HD1 LEU 12 3.504 -7.249 10.023 82 HD13 LEU 12 3HD1 LEU 12 3.231 -6.529 11.609 83 HD21 LEU 12 3HD2 LEU 12 4.246 -7.964 13.743 84 HD22 LEU 12 1HD2 LEU 12 5.048 -6.804 12.684 85 HD23 LEU 12 2HD2 LEU 12 5.806 -8.360 13.020 86 H ASN 13 H ASN 13 2.230 -12.533 11.292 87 HA ASN 13 HA ASN 13 1.693 -13.546 13.939 88 HB2 ASN 13 2HB ASN 13 0.427 -13.871 11.241 89 HB3 ASN 13 3HB ASN 13 0.019 -14.995 12.534 90 HD21 ASN 13 1HD2 ASN 13 -0.908 -12.242 11.057 91 HD22 ASN 13 2HD2 ASN 13 -1.805 -11.503 12.335 92 H THR 14 H THR 14 3.972 -14.290 11.718 93 HA THR 14 HA THR 14 4.014 -17.135 12.493 94 HB THR 14 HB THR 14 5.177 -17.655 10.433 95 HG1 THR 14 HG1 THR 14 5.908 -16.128 9.093 96 HG21 THR 14 3HG2 THR 14 3.132 -17.924 9.588 97 HG22 THR 14 1HG2 THR 14 3.234 -16.286 8.943 98 HG23 THR 14 2HG2 THR 14 2.514 -16.566 10.529 99 H LEU 15 H LEU 15 5.477 -14.197 12.947 100 HA LEU 15 HA LEU 15 8.214 -15.096 13.061 101 HB2 LEU 15 2HB LEU 15 8.778 -12.922 13.393 102 HB3 LEU 15 3HB LEU 15 7.204 -12.698 12.632 103 HG LEU 15 HG LEU 15 6.397 -12.688 15.159 104 HD11 LEU 15 1HD1 LEU 15 9.318 -12.074 15.264 105 HD12 LEU 15 2HD1 LEU 15 8.331 -13.030 16.369 106 HD13 LEU 15 3HD1 LEU 15 8.204 -11.271 16.371 107 HD21 LEU 15 3HD2 LEU 15 7.000 -10.741 13.181 108 HD22 LEU 15 1HD2 LEU 15 7.464 -10.092 14.753 109 HD23 LEU 15 2HD2 LEU 15 5.815 -10.658 14.486 110 H GLU 16 H GLU 16 9.414 -15.570 14.864 111 HA GLU 16 HA GLU 16 7.879 -15.971 17.343 112 HB2 GLU 16 2HB GLU 16 10.013 -17.526 15.990 113 HB3 GLU 16 3HB GLU 16 10.066 -17.481 17.747 114 HG2 GLU 16 2HG GLU 16 7.572 -18.218 16.257 115 HG3 GLU 16 3HG GLU 16 8.814 -19.404 16.652 116 H ASP 17 H ASP 17 9.425 -16.020 19.330 117 HA ASP 17 HA ASP 17 10.688 -13.417 19.424 118 HB2 ASP 17 2HB ASP 17 10.998 -14.004 21.865 119 HB3 ASP 17 3HB ASP 17 9.328 -13.957 21.306 120 H SER 18 H SER 18 12.514 -13.735 18.099 121 HA SER 18 HA SER 18 14.756 -14.934 19.501 122 HB2 SER 18 2HB SER 18 13.659 -15.981 16.926 123 HB3 SER 18 3HB SER 18 15.408 -15.975 17.154 124 HG SER 18 HG SER 18 13.718 -17.755 18.041 125 H GLN 19 H GLN 19 16.724 -14.022 18.979 126 HA GLN 19 HA GLN 19 16.798 -11.407 18.105 127 HB2 GLN 19 2HB GLN 19 18.843 -13.537 18.467 128 HB3 GLN 19 3HB GLN 19 19.320 -12.101 17.572 129 HG2 GLN 19 2HG GLN 19 18.024 -11.925 20.269 130 HG3 GLN 19 3HG GLN 19 19.763 -12.141 20.078 131 HE21 GLN 19 1HE2 GLN 19 17.060 -10.007 19.499 132 HE22 GLN 19 2HE2 GLN 19 17.992 -8.571 19.270 133 H GLU 20 H GLU 20 17.399 -14.363 16.248 134 HA GLU 20 HA GLU 20 18.001 -12.961 13.825 135 HB2 GLU 20 2HB GLU 20 18.074 -15.126 12.785 136 HB3 GLU 20 3HB GLU 20 18.852 -15.244 14.357 137 HG2 GLU 20 2HG GLU 20 16.623 -16.093 15.226 138 HG3 GLU 20 3HG GLU 20 16.155 -16.263 13.535 139 H SER 21 H SER 21 15.138 -14.395 15.255 140 HA SER 21 HA SER 21 13.483 -14.398 12.989 141 HB2 SER 21 2HB SER 21 12.880 -15.589 15.038 142 HB3 SER 21 3HB SER 21 12.735 -14.060 15.904 143 HG SER 21 HG SER 21 10.735 -14.149 15.270 144 H ILE 22 H ILE 22 13.871 -11.954 15.546 145 HA ILE 22 HA ILE 22 12.061 -10.092 14.442 146 HB ILE 22 HB ILE 22 14.407 -9.619 16.284 147 HG12 ILE 22 2HG1 ILE 22 12.661 -11.163 17.146 148 HG13 ILE 22 3HG1 ILE 22 12.768 -9.670 18.072 149 HG21 ILE 22 1HG2 ILE 22 12.405 -7.810 15.101 150 HG22 ILE 22 2HG2 ILE 22 12.685 -7.623 16.832 151 HG23 ILE 22 3HG2 ILE 22 14.029 -7.473 15.701 152 HD11 ILE 22 3HD1 ILE 22 10.861 -9.309 15.997 153 HD12 ILE 22 1HD1 ILE 22 10.506 -10.817 16.840 154 HD13 ILE 22 2HD1 ILE 22 10.616 -9.306 17.744 155 H SER 23 H SER 23 15.481 -10.681 13.936 156 HA SER 23 HA SER 23 15.976 -8.275 12.480 157 HB2 SER 23 2HB SER 23 17.636 -9.960 13.669 158 HB3 SER 23 3HB SER 23 17.655 -10.716 12.075 159 HG SER 23 HG SER 23 19.260 -8.993 12.528 160 H SER 24 H SER 24 14.963 -11.522 11.644 161 HA SER 24 HA SER 24 15.430 -11.490 8.897 162 HB2 SER 24 2HB SER 24 14.581 -13.408 10.432 163 HB3 SER 24 3HB SER 24 12.975 -12.779 10.064 164 HG SER 24 HG SER 24 14.675 -14.237 8.507 165 H ALA 25 H ALA 25 12.505 -10.521 10.678 166 HA ALA 25 HA ALA 25 11.209 -9.549 8.302 167 HB1 ALA 25 1HB ALA 25 9.588 -8.594 10.079 168 HB2 ALA 25 2HB ALA 25 9.692 -10.342 9.863 169 HB3 ALA 25 3HB ALA 25 10.522 -9.570 11.214 170 H SER 26 H SER 26 12.886 -8.121 11.065 171 HA SER 26 HA SER 26 12.309 -5.443 10.648 172 HB2 SER 26 2HB SER 26 13.483 -6.185 12.638 173 HB3 SER 26 3HB SER 26 14.866 -6.701 11.672 174 HG SER 26 HG SER 26 15.454 -4.653 11.381 175 H LYS 27 H LYS 27 14.994 -7.351 9.309 176 HA LYS 27 HA LYS 27 16.104 -5.246 7.784 177 HB2 LYS 27 2HB LYS 27 16.314 -8.246 7.517 178 HB3 LYS 27 3HB LYS 27 17.232 -7.121 6.525 179 HG2 LYS 27 2HG LYS 27 18.608 -6.516 8.233 180 HG3 LYS 27 3HG LYS 27 17.385 -6.810 9.471 181 HD2 LYS 27 2HD LYS 27 18.842 -8.560 9.837 182 HD3 LYS 27 3HD LYS 27 17.667 -9.305 8.751 183 HE2 LYS 27 2HE LYS 27 19.213 -8.643 6.855 184 HE3 LYS 27 3HE LYS 27 20.411 -8.261 8.091 185 HZ1 LYS 27 3HZ LYS 27 19.572 -10.746 8.776 186 HZ2 LYS 27 1HZ LYS 27 20.986 -10.391 7.917 187 HZ3 LYS 27 2HZ LYS 27 19.576 -10.815 7.086 188 H TRP 28 H TRP 28 13.552 -7.551 7.175 189 HA TRP 28 HA TRP 28 13.394 -7.289 4.379 190 HB2 TRP 28 2HB TRP 28 12.262 -9.079 5.640 191 HB3 TRP 28 3HB TRP 28 11.173 -7.887 6.346 192 HD1 TRP 28 HD1 TRP 28 12.170 -8.849 2.705 193 HE1 TRP 28 HE1 TRP 28 10.015 -8.927 1.300 194 HE3 TRP 28 HE3 TRP 28 8.794 -7.575 6.326 195 HZ2 TRP 28 HZ2 TRP 28 7.250 -8.504 1.677 196 HZ3 TRP 28 HZ3 TRP 28 6.413 -7.433 5.722 197 HH2 TRP 28 HH2 TRP 28 5.659 -7.888 3.445 198 H LEU 29 H LEU 29 11.638 -5.596 6.970 199 HA LEU 29 HA LEU 29 10.155 -3.917 5.248 200 HB2 LEU 29 2HB LEU 29 10.950 -3.550 8.132 201 HB3 LEU 29 3HB LEU 29 9.774 -2.551 7.280 202 HG LEU 29 HG LEU 29 9.217 -5.441 7.247 203 HD11 LEU 29 1HD1 LEU 29 8.781 -5.779 9.457 204 HD12 LEU 29 2HD1 LEU 29 8.539 -4.065 9.789 205 HD13 LEU 29 3HD1 LEU 29 10.172 -4.704 9.600 206 HD21 LEU 29 3HD2 LEU 29 7.860 -3.034 6.811 207 HD22 LEU 29 1HD2 LEU 29 7.165 -3.714 8.283 208 HD23 LEU 29 2HD2 LEU 29 7.186 -4.665 6.797 209 H LEU 30 H LEU 30 13.356 -3.698 6.620 210 HA LEU 30 HA LEU 30 13.899 -1.000 6.385 211 HB2 LEU 30 2HB LEU 30 15.433 -3.464 6.507 212 HB3 LEU 30 3HB LEU 30 16.238 -2.219 5.555 213 HG LEU 30 HG LEU 30 16.354 -0.749 7.412 214 HD11 LEU 30 1HD1 LEU 30 14.579 -0.696 8.759 215 HD12 LEU 30 2HD1 LEU 30 15.352 -2.019 9.631 216 HD13 LEU 30 3HD1 LEU 30 14.142 -2.366 8.396 217 HD21 LEU 30 3HD2 LEU 30 16.928 -3.474 8.554 218 HD22 LEU 30 1HD2 LEU 30 17.739 -1.949 8.913 219 HD23 LEU 30 2HD2 LEU 30 17.942 -2.705 7.332 220 H LEU 31 H LEU 31 13.796 -3.470 3.892 221 HA LEU 31 HA LEU 31 14.840 -1.725 1.848 222 HB2 LEU 31 2HB LEU 31 13.710 -4.498 1.881 223 HB3 LEU 31 3HB LEU 31 13.987 -3.656 0.358 224 HG LEU 31 HG LEU 31 15.839 -5.116 0.787 225 HD11 LEU 31 1HD1 LEU 31 17.437 -3.644 0.198 226 HD12 LEU 31 2HD1 LEU 31 17.124 -2.586 1.573 227 HD13 LEU 31 3HD1 LEU 31 16.086 -2.511 0.150 228 HD21 LEU 31 3HD2 LEU 31 16.184 -3.673 3.414 229 HD22 LEU 31 1HD2 LEU 31 17.209 -4.960 2.778 230 HD23 LEU 31 2HD2 LEU 31 15.538 -5.304 3.223 231 H GLN 32 H GLN 32 11.745 -2.539 3.151 232 HA GLN 32 HA GLN 32 10.320 -1.412 0.872 233 HB2 GLN 32 2HB GLN 32 9.094 -2.384 3.446 234 HB3 GLN 32 3HB GLN 32 8.328 -2.222 1.871 235 HG2 GLN 32 2HG GLN 32 10.333 -4.272 2.756 236 HG3 GLN 32 3HG GLN 32 8.672 -4.525 2.223 237 HE21 GLN 32 1HE2 GLN 32 8.582 -2.997 -0.040 238 HE22 GLN 32 2HE2 GLN 32 9.652 -3.649 -1.229 239 H TYR 33 H TYR 33 11.967 0.426 2.134 240 HA TYR 33 HA TYR 33 10.720 1.954 4.138 241 HB2 TYR 33 2HB TYR 33 12.392 3.551 3.774 242 HB3 TYR 33 3HB TYR 33 13.154 2.045 3.277 243 HD1 TYR 33 HD2 TYR 33 12.434 1.530 0.624 244 HD2 TYR 33 HD1 TYR 33 13.005 5.329 2.452 245 HE1 TYR 33 HE2 TYR 33 12.938 2.506 -1.576 246 HE2 TYR 33 HE1 TYR 33 13.509 6.317 0.257 247 HH TYR 33 HH TYR 33 14.202 4.490 -2.464 248 H ARG 34 H ARG 34 10.081 1.647 0.788 249 HA ARG 34 HA ARG 34 8.993 4.165 0.204 250 HB2 ARG 34 2HB ARG 34 8.176 1.478 -0.915 251 HB3 ARG 34 3HB ARG 34 7.834 3.044 -1.638 252 HG2 ARG 34 2HG ARG 34 10.624 2.044 -1.143 253 HG3 ARG 34 3HG ARG 34 9.743 1.758 -2.645 254 HD2 ARG 34 2HD ARG 34 10.429 4.444 -1.458 255 HD3 ARG 34 3HD ARG 34 11.200 3.695 -2.855 256 HE ARG 34 HE ARG 34 8.618 3.784 -3.600 257 HH11 ARG 34 1HH1 ARG 34 10.766 6.183 -2.274 258 HH12 ARG 34 2HH1 ARG 34 9.990 7.509 -3.075 259 HH21 ARG 34 1HH2 ARG 34 7.588 5.522 -4.659 260 HH22 ARG 34 2HH2 ARG 34 8.182 7.132 -4.430 261 H ASP 35 H ASP 35 7.756 1.492 2.023 262 HA ASP 35 HA ASP 35 5.117 2.786 2.176 263 HB2 ASP 35 2HB ASP 35 4.574 0.449 3.283 264 HB3 ASP 35 3HB ASP 35 4.621 0.631 1.532 265 H ALA 36 H ALA 36 6.898 4.106 3.621 266 HA ALA 36 HA ALA 36 7.453 3.188 6.210 267 HB1 ALA 36 1HB ALA 36 7.533 5.748 4.798 268 HB2 ALA 36 2HB ALA 36 7.249 5.891 6.533 269 HB3 ALA 36 3HB ALA 36 8.677 5.043 5.940 270 HA PRO 37 HA PRO 37 3.484 5.497 7.697 271 HB2 PRO 37 2HB PRO 37 1.788 6.432 5.795 272 HB3 PRO 37 3HB PRO 37 3.126 7.388 6.442 273 HG2 PRO 37 2HG PRO 37 2.973 5.827 3.893 274 HG3 PRO 37 3HG PRO 37 3.648 7.442 4.177 275 HD2 PRO 37 2HD PRO 37 5.197 5.229 3.983 276 HD3 PRO 37 3HD PRO 37 5.624 6.605 5.020 277 H LYS 38 H LYS 38 3.166 3.680 4.682 278 HA LYS 38 HA LYS 38 0.611 2.621 5.090 279 HB2 LYS 38 2HB LYS 38 3.009 1.656 3.553 280 HB3 LYS 38 3HB LYS 38 1.532 0.703 3.621 281 HG2 LYS 38 2HG LYS 38 1.489 3.573 2.765 282 HG3 LYS 38 3HG LYS 38 1.876 2.276 1.631 283 HD2 LYS 38 2HD LYS 38 -0.611 2.256 3.325 284 HD3 LYS 38 3HD LYS 38 -0.554 3.018 1.734 285 HE2 LYS 38 2HE LYS 38 0.439 0.699 1.011 286 HE3 LYS 38 3HE LYS 38 -0.367 0.133 2.474 287 HZ1 LYS 38 3HZ LYS 38 -1.504 1.017 -0.040 288 HZ2 LYS 38 1HZ LYS 38 -2.302 1.581 1.341 289 HZ3 LYS 38 2HZ LYS 38 -2.108 -0.081 1.097 290 H VAL 39 H VAL 39 3.775 1.134 5.798 291 HA VAL 39 HA VAL 39 2.764 -1.160 7.058 292 HB VAL 39 HB VAL 39 5.414 0.221 7.504 293 HG11 VAL 39 1HG1 VAL 39 5.570 -2.578 7.896 294 HG12 VAL 39 2HG1 VAL 39 5.829 -1.290 9.075 295 HG13 VAL 39 3HG1 VAL 39 4.219 -1.979 8.858 296 HG21 VAL 39 3HG2 VAL 39 4.725 -0.597 5.152 297 HG22 VAL 39 1HG2 VAL 39 6.301 -1.070 5.786 298 HG23 VAL 39 2HG2 VAL 39 4.959 -2.213 5.817 299 H ALA 40 H ALA 40 3.662 2.008 8.340 300 HA ALA 40 HA ALA 40 3.428 1.396 11.072 301 HB1 ALA 40 1HB ALA 40 3.387 3.900 9.466 302 HB2 ALA 40 2HB ALA 40 2.868 3.969 11.150 303 HB3 ALA 40 3HB ALA 40 4.487 3.397 10.750 304 H GLU 41 H GLU 41 1.051 2.546 8.714 305 HA GLU 41 HA GLU 41 -1.064 2.919 10.553 306 HB2 GLU 41 2HB GLU 41 -1.212 3.979 8.418 307 HB3 GLU 41 3HB GLU 41 -1.028 2.448 7.574 308 HG2 GLU 41 2HG GLU 41 -3.318 3.180 7.464 309 HG3 GLU 41 3HG GLU 41 -3.202 1.720 8.446 310 H MET 42 H MET 42 -0.307 0.228 8.347 311 HA MET 42 HA MET 42 -2.447 -1.421 9.124 312 HB2 MET 42 2HB MET 42 -0.619 -1.562 7.165 313 HB3 MET 42 3HB MET 42 0.099 -2.702 8.294 314 HG2 MET 42 2HG MET 42 -2.722 -2.852 7.259 315 HG3 MET 42 3HG MET 42 -1.358 -3.768 6.621 316 HE1 MET 42 3HE MET 42 -0.417 -6.068 9.627 317 HE2 MET 42 1HE MET 42 0.046 -5.451 8.041 318 HE3 MET 42 2HE MET 42 0.202 -4.424 9.466 319 H TRP 43 H TRP 43 0.962 -1.434 10.156 320 HA TRP 43 HA TRP 43 0.821 -3.528 11.972 321 HB2 TRP 43 2HB TRP 43 2.938 -2.519 11.277 322 HB3 TRP 43 3HB TRP 43 2.523 -1.029 12.120 323 HD1 TRP 43 HD1 TRP 43 3.869 -4.528 12.714 324 HE1 TRP 43 HE1 TRP 43 4.674 -4.717 15.152 325 HE3 TRP 43 HE3 TRP 43 2.043 -0.106 14.516 326 HZ2 TRP 43 HZ2 TRP 43 4.551 -3.193 17.524 327 HZ3 TRP 43 HZ3 TRP 43 2.429 0.453 16.881 328 HH2 TRP 43 HH2 TRP 43 3.657 -1.060 18.352 329 H LYS 44 H LYS 44 0.343 -0.051 12.561 330 HA LYS 44 HA LYS 44 -0.154 -0.187 15.299 331 HB2 LYS 44 2HB LYS 44 0.216 1.920 14.100 332 HB3 LYS 44 3HB LYS 44 -1.322 1.727 13.269 333 HG2 LYS 44 2HG LYS 44 -2.271 1.635 15.712 334 HG3 LYS 44 3HG LYS 44 -0.770 2.482 16.093 335 HD2 LYS 44 2HD LYS 44 -2.145 4.263 15.659 336 HD3 LYS 44 3HD LYS 44 -1.488 3.978 14.046 337 HE2 LYS 44 2HE LYS 44 -3.493 2.556 13.576 338 HE3 LYS 44 3HE LYS 44 -4.157 3.080 15.123 339 HZ1 LYS 44 3HZ LYS 44 -4.768 4.329 12.944 340 HZ2 LYS 44 1HZ LYS 44 -3.285 5.107 13.185 341 HZ3 LYS 44 2HZ LYS 44 -4.491 5.200 14.367 342 H GLU 45 H GLU 45 -2.525 -0.137 12.633 343 HA GLU 45 HA GLU 45 -4.818 -0.453 14.172 344 HB2 GLU 45 2HB GLU 45 -4.101 -1.014 11.338 345 HB3 GLU 45 3HB GLU 45 -5.595 -1.706 11.952 346 HG2 GLU 45 2HG GLU 45 -6.190 0.636 12.723 347 HG3 GLU 45 3HG GLU 45 -4.841 1.188 11.731 348 H TYR 46 H TYR 46 -2.475 -2.811 13.094 349 HA TYR 46 HA TYR 46 -4.044 -5.112 13.710 350 HB2 TYR 46 2HB TYR 46 -2.290 -5.407 12.134 351 HB3 TYR 46 3HB TYR 46 -1.097 -4.699 13.218 352 HD1 TYR 46 HD1 TYR 46 -3.146 -7.686 12.547 353 HD2 TYR 46 HD2 TYR 46 -0.033 -6.012 14.915 354 HE1 TYR 46 HE1 TYR 46 -2.573 -9.932 13.370 355 HE2 TYR 46 HE2 TYR 46 0.550 -8.254 15.744 356 HH TYR 46 HH TYR 46 -1.277 -10.743 15.751 357 H MET 47 H MET 47 -1.633 -3.211 15.443 358 HA MET 47 HA MET 47 -1.561 -4.982 17.704 359 HB2 MET 47 2HB MET 47 -0.560 -2.144 17.405 360 HB3 MET 47 3HB MET 47 -0.204 -3.211 18.757 361 HG2 MET 47 2HG MET 47 0.453 -4.162 16.026 362 HG3 MET 47 3HG MET 47 1.460 -2.901 16.733 363 HE1 MET 47 3HE MET 47 3.448 -4.048 19.206 364 HE2 MET 47 1HE MET 47 2.088 -2.934 19.067 365 HE3 MET 47 2HE MET 47 1.989 -4.312 20.163 366 H LEU 48 H LEU 48 -3.406 -2.199 16.740 367 HA LEU 48 HA LEU 48 -4.413 -1.604 19.361 368 HB2 LEU 48 2HB LEU 48 -4.321 -0.271 16.963 369 HB3 LEU 48 3HB LEU 48 -6.024 -0.704 17.099 370 HG LEU 48 HG LEU 48 -6.169 0.470 19.229 371 HD11 LEU 48 1HD1 LEU 48 -4.023 0.201 20.169 372 HD12 LEU 48 2HD1 LEU 48 -4.207 1.929 19.874 373 HD13 LEU 48 3HD1 LEU 48 -3.235 0.947 18.779 374 HD21 LEU 48 3HD2 LEU 48 -5.256 2.785 18.169 375 HD22 LEU 48 1HD2 LEU 48 -6.788 2.028 17.730 376 HD23 LEU 48 2HD2 LEU 48 -5.361 1.780 16.723 377 H ARG 49 H ARG 49 -4.947 -4.133 17.327 378 HA ARG 49 HA ARG 49 -7.803 -4.387 17.827 379 HB2 ARG 49 2HB ARG 49 -5.806 -5.959 16.223 380 HB3 ARG 49 3HB ARG 49 -7.394 -6.621 16.585 381 HG2 ARG 49 2HG ARG 49 -8.490 -5.062 15.282 382 HG3 ARG 49 3HG ARG 49 -7.153 -3.912 15.355 383 HD2 ARG 49 2HD ARG 49 -5.867 -5.829 14.097 384 HD3 ARG 49 3HD ARG 49 -7.497 -6.327 13.644 385 HE ARG 49 HE ARG 49 -7.187 -3.576 13.145 386 HH11 ARG 49 1HH1 ARG 49 -6.127 -6.670 11.953 387 HH12 ARG 49 2HH1 ARG 49 -5.896 -6.112 10.329 388 HH21 ARG 49 1HH2 ARG 49 -6.887 -2.829 11.011 389 HH22 ARG 49 2HH2 ARG 49 -6.329 -3.927 9.795 390 HA PRO 50 HA PRO 50 -7.193 -6.709 21.542 391 HB2 PRO 50 2HB PRO 50 -9.729 -7.647 21.783 392 HB3 PRO 50 3HB PRO 50 -9.284 -5.976 22.149 393 HG2 PRO 50 2HG PRO 50 -10.540 -7.103 19.676 394 HG3 PRO 50 3HG PRO 50 -10.938 -5.615 20.555 395 HD2 PRO 50 2HD PRO 50 -9.445 -5.618 18.296 396 HD3 PRO 50 3HD PRO 50 -9.202 -4.437 19.600 397 H SER 51 H SER 51 -8.828 -8.160 18.752 398 HA SER 51 HA SER 51 -8.836 -10.815 19.478 399 HB2 SER 51 2HB SER 51 -8.298 -9.647 16.738 400 HB3 SER 51 3HB SER 51 -8.735 -11.326 17.050 401 HG SER 51 HG SER 51 -10.710 -10.592 17.895 402 H VAL 52 H VAL 52 -6.153 -8.845 18.411 403 HA VAL 52 HA VAL 52 -4.317 -10.903 17.841 404 HB VAL 52 HB VAL 52 -3.799 -8.086 18.801 405 HG11 VAL 52 1HG1 VAL 52 -1.546 -8.450 17.757 406 HG12 VAL 52 2HG1 VAL 52 -1.837 -9.364 19.238 407 HG13 VAL 52 3HG1 VAL 52 -1.938 -10.167 17.671 408 HG21 VAL 52 3HG2 VAL 52 -4.573 -7.560 16.771 409 HG22 VAL 52 1HG2 VAL 52 -3.085 -8.271 16.148 410 HG23 VAL 52 2HG2 VAL 52 -4.555 -9.240 16.236 411 H ASN 53 H ASN 53 -3.252 -12.261 19.122 412 HA ASN 53 HA ASN 53 -3.706 -12.407 21.890 413 HB2 ASN 53 2HB ASN 53 -1.580 -13.683 20.160 414 HB3 ASN 53 3HB ASN 53 -1.826 -14.082 21.858 415 HD21 ASN 53 1HD2 ASN 53 -2.213 -15.456 19.128 416 HD22 ASN 53 2HD2 ASN 53 -3.765 -16.200 19.283 417 H THR 54 H THR 54 -1.848 -12.504 23.511 418 HA THR 54 HA THR 54 -0.687 -9.921 23.691 419 HB THR 54 HB THR 54 0.677 -11.310 25.576 420 HG1 THR 54 HG1 THR 54 -1.806 -12.638 25.587 421 HG21 THR 54 3HG2 THR 54 -2.207 -10.463 25.857 422 HG22 THR 54 1HG2 THR 54 -0.833 -9.359 25.890 423 HG23 THR 54 2HG2 THR 54 -1.009 -10.586 27.145 424 H ARG 55 H ARG 55 0.730 -13.150 23.196 425 HA ARG 55 HA ARG 55 3.396 -12.458 23.055 426 HB2 ARG 55 2HB ARG 55 1.737 -14.672 22.065 427 HB3 ARG 55 3HB ARG 55 3.215 -14.414 21.146 428 HG2 ARG 55 2HG ARG 55 4.577 -14.910 22.943 429 HG3 ARG 55 3HG ARG 55 3.316 -14.557 24.126 430 HD2 ARG 55 2HD ARG 55 3.397 -16.918 22.251 431 HD3 ARG 55 3HD ARG 55 3.725 -16.953 23.983 432 HE ARG 55 HE ARG 55 1.151 -16.882 22.707 433 HH11 ARG 55 1HH1 ARG 55 2.929 -16.153 25.611 434 HH12 ARG 55 2HH1 ARG 55 1.537 -16.234 26.639 435 HH21 ARG 55 1HH2 ARG 55 -0.689 -16.991 24.050 436 HH22 ARG 55 2HH2 ARG 55 -0.520 -16.712 25.751 437 H ARG 56 H ARG 56 1.023 -12.519 20.407 438 HA ARG 56 HA ARG 56 2.686 -11.809 18.311 439 HB2 ARG 56 2HB ARG 56 -0.191 -10.981 18.739 440 HB3 ARG 56 3HB ARG 56 0.666 -10.939 17.204 441 HG2 ARG 56 2HG ARG 56 0.242 -13.457 18.791 442 HG3 ARG 56 3HG ARG 56 -0.862 -12.894 17.534 443 HD2 ARG 56 2HD ARG 56 0.585 -13.389 15.851 444 HD3 ARG 56 3HD ARG 56 2.011 -13.055 16.834 445 HE ARG 56 HE ARG 56 0.558 -15.416 17.618 446 HH11 ARG 56 1HH1 ARG 56 3.053 -14.116 15.568 447 HH12 ARG 56 2HH1 ARG 56 3.868 -15.633 15.377 448 HH21 ARG 56 1HH2 ARG 56 1.622 -17.419 17.374 449 HH22 ARG 56 2HH2 ARG 56 3.053 -17.511 16.404 450 H LYS 57 H LYS 57 1.049 -9.738 20.663 451 HA LYS 57 HA LYS 57 1.780 -7.274 19.478 452 HB2 LYS 57 2HB LYS 57 1.178 -7.830 22.388 453 HB3 LYS 57 3HB LYS 57 1.112 -6.266 21.587 454 HG2 LYS 57 2HG LYS 57 -0.572 -8.431 20.472 455 HG3 LYS 57 3HG LYS 57 -1.049 -7.741 22.025 456 HD2 LYS 57 2HD LYS 57 -0.779 -5.464 20.886 457 HD3 LYS 57 3HD LYS 57 -0.761 -6.367 19.369 458 HE2 LYS 57 2HE LYS 57 -2.992 -6.038 19.470 459 HE3 LYS 57 3HE LYS 57 -2.933 -7.449 20.526 460 HZ1 LYS 57 3HZ LYS 57 -4.215 -5.790 21.604 461 HZ2 LYS 57 1HZ LYS 57 -3.042 -4.600 21.341 462 HZ3 LYS 57 2HZ LYS 57 -2.735 -5.865 22.419 463 H LEU 58 H LEU 58 3.125 -8.978 22.309 464 HA LEU 58 HA LEU 58 5.215 -7.281 22.888 465 HB2 LEU 58 2HB LEU 58 4.554 -9.220 24.248 466 HB3 LEU 58 3HB LEU 58 5.246 -10.293 23.033 467 HG LEU 58 HG LEU 58 6.593 -9.818 25.170 468 HD11 LEU 58 1HD1 LEU 58 8.165 -10.788 23.950 469 HD12 LEU 58 2HD1 LEU 58 8.544 -9.241 23.193 470 HD13 LEU 58 3HD1 LEU 58 7.331 -10.301 22.474 471 HD21 LEU 58 3HD2 LEU 58 7.612 -7.813 25.481 472 HD22 LEU 58 1HD2 LEU 58 6.169 -7.242 24.644 473 HD23 LEU 58 2HD2 LEU 58 7.678 -7.450 23.756 474 H LEU 59 H LEU 59 5.023 -9.764 20.404 475 HA LEU 59 HA LEU 59 7.771 -9.635 19.658 476 HB2 LEU 59 2HB LEU 59 5.302 -10.857 18.551 477 HB3 LEU 59 3HB LEU 59 6.667 -10.634 17.459 478 HG LEU 59 HG LEU 59 6.694 -12.230 20.020 479 HD11 LEU 59 1HD1 LEU 59 5.562 -13.621 18.612 480 HD12 LEU 59 2HD1 LEU 59 7.217 -14.032 18.166 481 HD13 LEU 59 3HD1 LEU 59 6.283 -12.925 17.161 482 HD21 LEU 59 3HD2 LEU 59 8.811 -11.034 18.581 483 HD22 LEU 59 1HD2 LEU 59 8.877 -12.769 18.270 484 HD23 LEU 59 2HD2 LEU 59 8.908 -12.169 19.928 485 H GLY 60 H GLY 60 4.794 -8.306 18.218 486 HA2 GLY 60 2HA GLY 60 5.910 -7.008 16.039 487 HA3 GLY 60 3HA GLY 60 4.465 -6.469 16.881 488 H LEU 61 H LEU 61 5.664 -5.888 19.383 489 HA LEU 61 HA LEU 61 6.501 -3.245 18.949 490 HB2 LEU 61 2HB LEU 61 5.568 -4.537 21.071 491 HB3 LEU 61 3HB LEU 61 7.286 -4.635 21.453 492 HG LEU 61 HG LEU 61 6.227 -2.753 22.582 493 HD11 LEU 61 1HD1 LEU 61 8.601 -2.662 21.752 494 HD12 LEU 61 2HD1 LEU 61 7.834 -1.101 22.041 495 HD13 LEU 61 3HD1 LEU 61 8.006 -1.707 20.394 496 HD21 LEU 61 3HD2 LEU 61 4.472 -2.400 20.829 497 HD22 LEU 61 1HD2 LEU 61 5.703 -1.601 19.849 498 HD23 LEU 61 2HD2 LEU 61 5.245 -0.925 21.412 499 H TYR 62 H TYR 62 8.331 -6.194 19.630 500 HA TYR 62 HA TYR 62 10.860 -4.924 19.833 501 HB2 TYR 62 2HB TYR 62 9.878 -7.720 19.602 502 HB3 TYR 62 3HB TYR 62 11.555 -7.424 19.158 503 HD1 TYR 62 HD1 TYR 62 12.551 -5.527 21.028 504 HD2 TYR 62 HD2 TYR 62 9.762 -8.669 21.698 505 HE1 TYR 62 HE1 TYR 62 13.193 -5.582 23.402 506 HE2 TYR 62 HE2 TYR 62 10.395 -8.732 24.074 507 HH TYR 62 HH TYR 62 11.746 -6.482 25.678 508 H LEU 63 H LEU 63 9.042 -6.320 17.166 509 HA LEU 63 HA LEU 63 11.133 -6.277 15.260 510 HB2 LEU 63 2HB LEU 63 9.141 -7.626 14.953 511 HB3 LEU 63 3HB LEU 63 8.142 -6.175 14.894 512 HG LEU 63 HG LEU 63 9.259 -5.524 12.793 513 HD11 LEU 63 1HD1 LEU 63 11.389 -6.533 12.970 514 HD12 LEU 63 2HD1 LEU 63 10.573 -7.335 11.629 515 HD13 LEU 63 3HD1 LEU 63 10.692 -8.137 13.195 516 HD21 LEU 63 3HD2 LEU 63 8.283 -7.364 11.398 517 HD22 LEU 63 1HD2 LEU 63 7.186 -6.677 12.595 518 HD23 LEU 63 2HD2 LEU 63 7.954 -8.236 12.895 519 H MET 64 H MET 64 8.365 -4.069 15.712 520 HA MET 64 HA MET 64 9.186 -2.173 13.814 521 HB2 MET 64 2HB MET 64 7.513 -0.753 14.700 522 HB3 MET 64 3HB MET 64 6.904 -2.390 14.907 523 HG2 MET 64 2HG MET 64 6.434 -1.638 16.971 524 HG3 MET 64 3HG MET 64 8.113 -2.083 17.268 525 HE1 MET 64 3HE MET 64 5.747 0.290 18.330 526 HE2 MET 64 1HE MET 64 7.072 -0.226 19.374 527 HE3 MET 64 2HE MET 64 6.868 1.483 18.989 528 H ASN 65 H ASN 65 10.013 -2.608 17.191 529 HA ASN 65 HA ASN 65 11.220 -0.082 17.601 530 HB2 ASN 65 2HB ASN 65 10.526 -1.579 19.445 531 HB3 ASN 65 3HB ASN 65 11.804 -2.705 18.995 532 HD21 ASN 65 1HD2 ASN 65 12.634 -2.465 21.117 533 HD22 ASN 65 2HD2 ASN 65 13.578 -1.082 21.543 534 H HIS 66 H HIS 66 12.553 -3.247 16.697 535 HA HIS 66 HA HIS 66 15.247 -2.396 16.557 536 HB2 HIS 66 2HB HIS 66 14.297 -4.796 16.666 537 HB3 HIS 66 3HB HIS 66 14.123 -4.656 14.919 538 HD1 HIS 66 HD1 HIS 66 17.015 -3.613 17.163 539 HD2 HIS 66 HD2 HIS 66 16.195 -6.080 13.922 540 HE1 HIS 66 HE1 HIS 66 19.233 -4.574 16.471 541 H VAL 67 H VAL 67 12.609 -2.420 14.245 542 HA VAL 67 HA VAL 67 14.144 -1.904 11.926 543 HB VAL 67 HB VAL 67 11.254 -1.236 12.500 544 HG11 VAL 67 1HG1 VAL 67 11.377 -1.536 9.828 545 HG12 VAL 67 2HG1 VAL 67 11.512 0.023 10.643 546 HG13 VAL 67 3HG1 VAL 67 12.966 -0.836 10.133 547 HG21 VAL 67 3HG2 VAL 67 12.553 -3.714 12.124 548 HG22 VAL 67 1HG2 VAL 67 10.821 -3.395 12.220 549 HG23 VAL 67 2HG2 VAL 67 11.635 -3.382 10.655 550 H VAL 68 H VAL 68 12.236 0.281 13.999 551 HA VAL 68 HA VAL 68 12.995 2.653 12.675 552 HB VAL 68 HB VAL 68 12.146 3.841 14.631 553 HG11 VAL 68 1HG1 VAL 68 10.565 1.516 13.592 554 HG12 VAL 68 2HG1 VAL 68 9.869 2.645 14.756 555 HG13 VAL 68 3HG1 VAL 68 10.425 3.226 13.186 556 HG21 VAL 68 3HG2 VAL 68 11.310 2.569 16.580 557 HG22 VAL 68 1HG2 VAL 68 12.040 1.111 15.909 558 HG23 VAL 68 2HG2 VAL 68 13.060 2.464 16.395 559 H GLN 69 H GLN 69 14.438 0.826 15.297 560 HA GLN 69 HA GLN 69 16.294 2.833 16.091 561 HB2 GLN 69 2HB GLN 69 15.930 -0.075 16.632 562 HB3 GLN 69 3HB GLN 69 17.495 0.642 16.989 563 HG2 GLN 69 2HG GLN 69 16.227 2.385 18.324 564 HG3 GLN 69 3HG GLN 69 14.823 1.332 18.163 565 HE21 GLN 69 1HE2 GLN 69 14.575 0.645 20.204 566 HE22 GLN 69 2HE2 GLN 69 15.765 -0.230 21.100 567 H GLN 70 H GLN 70 16.478 0.034 13.930 568 HA GLN 70 HA GLN 70 19.241 0.436 13.304 569 HB2 GLN 70 2HB GLN 70 17.069 -1.368 12.363 570 HB3 GLN 70 3HB GLN 70 18.447 -1.129 11.296 571 HG2 GLN 70 2HG GLN 70 19.008 -1.772 14.132 572 HG3 GLN 70 3HG GLN 70 18.364 -3.056 13.111 573 HE21 GLN 70 1HE2 GLN 70 19.511 -2.745 10.756 574 HE22 GLN 70 2HE2 GLN 70 21.233 -2.839 10.862 575 H ALA 71 H ALA 71 16.197 1.501 11.971 576 HA ALA 71 HA ALA 71 16.897 2.244 9.410 577 HB1 ALA 71 1HB ALA 71 14.804 2.972 9.430 578 HB2 ALA 71 2HB ALA 71 14.752 2.751 11.179 579 HB3 ALA 71 3HB ALA 71 15.255 4.300 10.501 580 H LYS 72 H LYS 72 17.760 3.736 12.438 581 HA LYS 72 HA LYS 72 18.501 6.279 11.586 582 HB2 LYS 72 2HB LYS 72 19.427 4.496 13.810 583 HB3 LYS 72 3HB LYS 72 20.249 6.022 13.515 584 HG2 LYS 72 2HG LYS 72 17.295 6.089 13.712 585 HG3 LYS 72 3HG LYS 72 18.208 5.797 15.195 586 HD2 LYS 72 2HD LYS 72 18.975 8.044 13.372 587 HD3 LYS 72 3HD LYS 72 17.630 8.236 14.499 588 HE2 LYS 72 2HE LYS 72 19.328 8.976 15.825 589 HE3 LYS 72 3HE LYS 72 19.404 7.256 16.204 590 HZ1 LYS 72 3HZ LYS 72 21.338 6.998 15.077 591 HZ2 LYS 72 1HZ LYS 72 21.526 8.627 15.493 592 HZ3 LYS 72 2HZ LYS 72 20.992 8.205 13.944 593 H GLY 73 H GLY 73 20.097 3.209 11.181 594 HA2 GLY 73 2HA GLY 73 22.618 4.386 10.385 595 HA3 GLY 73 3HA GLY 73 22.202 2.679 10.348 596 H GLN 74 H GLN 74 19.665 3.920 8.864 597 HA GLN 74 HA GLN 74 20.941 3.790 6.213 598 HB2 GLN 74 2HB GLN 74 18.237 2.902 7.184 599 HB3 GLN 74 3HB GLN 74 18.545 3.184 5.476 600 HG2 GLN 74 2HG GLN 74 19.707 1.288 5.243 601 HG3 GLN 74 3HG GLN 74 20.530 1.484 6.789 602 HE21 GLN 74 1HE2 GLN 74 18.629 1.454 8.621 603 HE22 GLN 74 2HE2 GLN 74 17.724 -0.016 8.582 604 H LYS 75 H LYS 75 20.345 6.122 8.088 605 HA LYS 75 HA LYS 75 19.591 8.270 7.971 606 HB2 LYS 75 2HB LYS 75 20.019 7.693 5.036 607 HB3 LYS 75 3HB LYS 75 19.706 9.298 5.684 608 HG2 LYS 75 2HG LYS 75 21.988 7.651 6.701 609 HG3 LYS 75 3HG LYS 75 22.135 8.599 5.219 610 HD2 LYS 75 2HD LYS 75 21.188 9.795 7.812 611 HD3 LYS 75 3HD LYS 75 22.897 9.713 7.377 612 HE2 LYS 75 2HE LYS 75 22.451 10.997 5.353 613 HE3 LYS 75 3HE LYS 75 20.735 11.051 5.752 614 HZ1 LYS 75 3HZ LYS 75 22.369 12.000 7.893 615 HZ2 LYS 75 1HZ LYS 75 21.062 12.750 7.123 616 HZ3 LYS 75 2HZ LYS 75 22.618 12.889 6.476 617 H ILE 76 H ILE 76 17.527 6.515 8.334 618 HA ILE 76 HA ILE 76 15.403 7.545 6.572 619 HB ILE 76 HB ILE 76 15.191 5.097 8.315 620 HG12 ILE 76 2HG1 ILE 76 16.000 5.281 5.405 621 HG13 ILE 76 3HG1 ILE 76 17.009 4.724 6.735 622 HG21 ILE 76 1HG2 ILE 76 13.601 6.027 5.927 623 HG22 ILE 76 2HG2 ILE 76 13.320 4.550 6.848 624 HG23 ILE 76 3HG2 ILE 76 13.088 6.123 7.611 625 HD11 ILE 76 3HD1 ILE 76 14.651 3.375 5.479 626 HD12 ILE 76 1HD1 ILE 76 16.299 2.779 5.671 627 HD13 ILE 76 2HD1 ILE 76 15.242 2.916 7.076 628 H ILE 77 H ILE 77 13.997 8.919 7.429 629 HA ILE 77 HA ILE 77 13.722 8.995 10.363 630 HB ILE 77 HB ILE 77 13.308 11.317 8.481 631 HG12 ILE 77 2HG1 ILE 77 15.664 10.644 8.477 632 HG13 ILE 77 3HG1 ILE 77 15.456 12.173 9.324 633 HG21 ILE 77 1HG2 ILE 77 12.066 11.777 10.381 634 HG22 ILE 77 2HG2 ILE 77 13.213 10.972 11.450 635 HG23 ILE 77 3HG2 ILE 77 13.616 12.537 10.745 636 HD11 ILE 77 3HD1 ILE 77 15.229 10.192 11.279 637 HD12 ILE 77 1HD1 ILE 77 16.582 9.710 10.256 638 HD13 ILE 77 2HD1 ILE 77 16.575 11.302 11.017 639 H GLN 78 H GLN 78 12.096 8.967 7.286 640 HA GLN 78 HA GLN 78 9.520 9.701 8.039 641 HB2 GLN 78 2HB GLN 78 10.690 8.059 5.857 642 HB3 GLN 78 3HB GLN 78 8.963 7.893 6.143 643 HG2 GLN 78 2HG GLN 78 9.681 9.591 4.412 644 HG3 GLN 78 3HG GLN 78 8.548 10.140 5.645 645 HE21 GLN 78 1HE2 GLN 78 11.940 10.128 4.714 646 HE22 GLN 78 2HE2 GLN 78 12.359 11.595 5.525 647 H PHE 79 H PHE 79 11.239 6.687 8.472 648 HA PHE 79 HA PHE 79 8.949 5.149 9.213 649 HB2 PHE 79 2HB PHE 79 11.779 4.701 8.855 650 HB3 PHE 79 3HB PHE 79 11.225 3.958 10.352 651 HD1 PHE 79 HD1 PHE 79 8.607 2.983 9.800 652 HD2 PHE 79 HD2 PHE 79 12.002 3.095 7.235 653 HE1 PHE 79 HE1 PHE 79 7.700 1.086 8.522 654 HE2 PHE 79 HE2 PHE 79 11.100 1.199 5.953 655 HZ PHE 79 HZ PHE 79 8.947 0.192 6.595 656 H GLN 80 H GLN 80 11.402 6.976 10.961 657 HA GLN 80 HA GLN 80 10.751 6.129 13.557 658 HB2 GLN 80 2HB GLN 80 11.806 8.844 12.755 659 HB3 GLN 80 3HB GLN 80 11.958 8.077 14.330 660 HG2 GLN 80 2HG GLN 80 13.414 6.394 13.430 661 HG3 GLN 80 3HG GLN 80 13.168 7.004 11.795 662 HE21 GLN 80 1HE2 GLN 80 15.687 6.734 12.680 663 HE22 GLN 80 2HE2 GLN 80 16.397 8.278 12.991 664 H ASP 81 H ASP 81 9.534 8.819 11.603 665 HA ASP 81 HA ASP 81 7.807 9.815 13.653 666 HB2 ASP 81 2HB ASP 81 8.732 11.172 11.738 667 HB3 ASP 81 3HB ASP 81 7.602 10.327 10.682 668 H SER 82 H SER 82 7.445 7.635 10.916 669 HA SER 82 HA SER 82 4.620 7.455 11.000 670 HB2 SER 82 2HB SER 82 4.860 5.563 9.524 671 HB3 SER 82 3HB SER 82 6.059 6.770 9.060 672 HG SER 82 HG SER 82 6.421 4.232 9.939 673 H PHE 83 H PHE 83 7.180 5.371 12.322 674 HA PHE 83 HA PHE 83 5.299 3.650 13.647 675 HB2 PHE 83 2HB PHE 83 8.256 3.815 13.398 676 HB3 PHE 83 3HB PHE 83 7.621 2.991 14.819 677 HD1 PHE 83 HD2 PHE 83 5.356 1.530 13.941 678 HD2 PHE 83 HD1 PHE 83 8.986 2.292 11.854 679 HE1 PHE 83 HE2 PHE 83 5.011 -0.507 12.605 680 HE2 PHE 83 HE1 PHE 83 8.647 0.256 10.514 681 HZ PHE 83 HZ PHE 83 6.658 -1.147 10.890 682 H GLY 84 H GLY 84 7.008 6.552 14.422 683 HA2 GLY 84 2HA GLY 84 6.770 6.260 17.281 684 HA3 GLY 84 3HA GLY 84 7.303 7.695 16.418 685 H LYS 85 H LYS 85 5.027 7.992 14.744 686 HA LYS 85 HA LYS 85 3.334 9.445 16.496 687 HB2 LYS 85 2HB LYS 85 2.136 10.101 14.564 688 HB3 LYS 85 3HB LYS 85 3.812 9.952 14.053 689 HG2 LYS 85 2HG LYS 85 2.956 8.777 12.355 690 HG3 LYS 85 3HG LYS 85 2.882 7.459 13.527 691 HD2 LYS 85 2HD LYS 85 0.737 7.497 12.618 692 HD3 LYS 85 3HD LYS 85 0.560 8.406 14.121 693 HE2 LYS 85 2HE LYS 85 0.548 10.475 12.977 694 HE3 LYS 85 3HE LYS 85 1.115 9.735 11.481 695 HZ1 LYS 85 3HZ LYS 85 -0.974 9.405 10.876 696 HZ2 LYS 85 1HZ LYS 85 -1.516 10.168 12.285 697 HZ3 LYS 85 2HZ LYS 85 -1.280 8.494 12.268 698 H VAL 86 H VAL 86 3.452 6.179 15.689 699 HA VAL 86 HA VAL 86 0.634 5.795 16.462 700 HB VAL 86 HB VAL 86 0.727 3.613 15.360 701 HG11 VAL 86 1HG1 VAL 86 1.716 5.740 13.470 702 HG12 VAL 86 2HG1 VAL 86 0.656 4.377 13.103 703 HG13 VAL 86 3HG1 VAL 86 0.079 5.695 14.123 704 HG21 VAL 86 3HG2 VAL 86 3.096 3.135 15.675 705 HG22 VAL 86 1HG2 VAL 86 2.651 2.995 13.974 706 HG23 VAL 86 2HG2 VAL 86 3.518 4.421 14.544 707 H ALA 87 H ALA 87 3.952 4.949 17.114 708 HA ALA 87 HA ALA 87 3.714 2.735 18.733 709 HB1 ALA 87 1HB ALA 87 5.662 4.122 20.023 710 HB2 ALA 87 2HB ALA 87 5.905 3.179 18.552 711 HB3 ALA 87 3HB ALA 87 5.646 4.921 18.451 712 H ALA 88 H ALA 88 3.453 6.148 19.707 713 HA ALA 88 HA ALA 88 2.969 5.679 22.433 714 HB1 ALA 88 1HB ALA 88 1.925 8.015 20.845 715 HB2 ALA 88 2HB ALA 88 2.295 7.957 22.568 716 HB3 ALA 88 3HB ALA 88 3.598 7.868 21.384 717 H GLU 89 H GLU 89 0.871 5.600 19.646 718 HA GLU 89 HA GLU 89 -1.587 5.705 21.091 719 HB2 GLU 89 2HB GLU 89 -1.212 6.217 18.612 720 HB3 GLU 89 3HB GLU 89 -1.205 4.476 18.367 721 HG2 GLU 89 2HG GLU 89 -3.389 5.064 17.903 722 HG3 GLU 89 3HG GLU 89 -3.474 4.510 19.574 723 H VAL 90 H VAL 90 -0.019 3.012 19.348 724 HA VAL 90 HA VAL 90 -1.688 1.000 20.360 725 HB VAL 90 HB VAL 90 0.248 -0.547 19.768 726 HG11 VAL 90 1HG1 VAL 90 -1.476 -0.301 18.186 727 HG12 VAL 90 2HG1 VAL 90 -0.987 1.348 17.789 728 HG13 VAL 90 3HG1 VAL 90 0.017 -0.015 17.292 729 HG21 VAL 90 3HG2 VAL 90 1.855 1.522 20.060 730 HG22 VAL 90 1HG2 VAL 90 2.205 0.250 18.889 731 HG23 VAL 90 2HG2 VAL 90 1.479 1.765 18.354 732 H LEU 91 H LEU 91 1.239 2.453 21.630 733 HA LEU 91 HA LEU 91 1.916 0.573 23.570 734 HB2 LEU 91 2HB LEU 91 2.347 3.489 23.221 735 HB3 LEU 91 3HB LEU 91 2.667 2.799 24.811 736 HG LEU 91 HG LEU 91 3.926 1.669 22.329 737 HD11 LEU 91 1HD1 LEU 91 4.296 4.277 23.096 738 HD12 LEU 91 2HD1 LEU 91 5.437 3.302 22.172 739 HD13 LEU 91 3HD1 LEU 91 5.608 3.436 23.922 740 HD21 LEU 91 3HD2 LEU 91 5.625 1.518 24.528 741 HD22 LEU 91 1HD2 LEU 91 4.675 0.207 23.828 742 HD23 LEU 91 2HD2 LEU 91 4.023 1.149 25.169 743 H GLY 92 H GLY 92 -0.438 3.204 23.659 744 HA2 GLY 92 2HA GLY 92 -1.055 2.980 26.420 745 HA3 GLY 92 3HA GLY 92 -2.053 3.755 25.198 746 H ARG 93 H ARG 93 -2.276 1.360 23.555 747 HA ARG 93 HA ARG 93 -4.491 0.155 24.948 748 HB2 ARG 93 2HB ARG 93 -3.417 0.128 22.185 749 HB3 ARG 93 3HB ARG 93 -4.318 -1.296 22.688 750 HG2 ARG 93 2HG ARG 93 -5.367 1.516 22.899 751 HG3 ARG 93 3HG ARG 93 -5.676 0.440 21.534 752 HD2 ARG 93 2HD ARG 93 -6.248 -0.591 24.256 753 HD3 ARG 93 3HD ARG 93 -7.335 0.635 23.605 754 HE ARG 93 HE ARG 93 -6.962 -1.353 21.667 755 HH11 ARG 93 1HH1 ARG 93 -8.434 -0.922 24.792 756 HH12 ARG 93 2HH1 ARG 93 -9.652 -2.125 24.529 757 HH21 ARG 93 1HH2 ARG 93 -8.561 -2.939 21.308 758 HH22 ARG 93 2HH2 ARG 93 -9.723 -3.273 22.548 759 H ILE 94 H ILE 94 -1.512 -1.110 23.447 760 HA ILE 94 HA ILE 94 -1.752 -3.739 24.333 761 HB ILE 94 HB ILE 94 0.577 -4.017 23.869 762 HG12 ILE 94 2HG1 ILE 94 0.756 -0.998 23.968 763 HG13 ILE 94 3HG1 ILE 94 1.462 -2.124 25.123 764 HG21 ILE 94 1HG2 ILE 94 0.293 -2.039 21.797 765 HG22 ILE 94 2HG2 ILE 94 0.227 -3.797 21.686 766 HG23 ILE 94 3HG2 ILE 94 -1.231 -2.882 22.071 767 HD11 ILE 94 3HD1 ILE 94 3.181 -1.331 23.676 768 HD12 ILE 94 1HD1 ILE 94 2.870 -3.022 23.288 769 HD13 ILE 94 2HD1 ILE 94 2.239 -1.747 22.244 770 H ASN 95 H ASN 95 -0.673 -0.878 26.003 771 HA ASN 95 HA ASN 95 0.693 -2.110 28.136 772 HB2 ASN 95 2HB ASN 95 1.083 0.183 27.961 773 HB3 ASN 95 3HB ASN 95 -0.626 0.558 27.757 774 HD21 ASN 95 1HD2 ASN 95 1.953 0.308 29.924 775 HD22 ASN 95 2HD2 ASN 95 1.073 0.583 31.385 776 H GLN 96 H GLN 96 -2.693 -1.120 27.765 777 HA GLN 96 HA GLN 96 -3.504 -1.895 30.364 778 HB2 GLN 96 2HB GLN 96 -5.066 -1.494 27.812 779 HB3 GLN 96 3HB GLN 96 -5.817 -1.829 29.367 780 HG2 GLN 96 2HG GLN 96 -5.282 0.232 30.228 781 HG3 GLN 96 3HG GLN 96 -3.927 0.460 29.123 782 HE21 GLN 96 1HE2 GLN 96 -4.795 2.558 28.711 783 HE22 GLN 96 2HE2 GLN 96 -6.108 2.756 27.605 784 H GLU 97 H GLU 97 -3.589 -3.539 27.226 785 HA GLU 97 HA GLU 97 -4.894 -5.873 28.189 786 HB2 GLU 97 2HB GLU 97 -3.102 -5.722 25.769 787 HB3 GLU 97 3HB GLU 97 -4.439 -6.828 26.054 788 HG2 GLU 97 2HG GLU 97 -5.744 -4.489 26.206 789 HG3 GLU 97 3HG GLU 97 -4.450 -4.045 25.094 790 H PHE 98 H PHE 98 -1.573 -4.831 28.036 791 HA PHE 98 HA PHE 98 -0.425 -7.412 28.482 792 HB2 PHE 98 2HB PHE 98 0.583 -4.601 28.447 793 HB3 PHE 98 3HB PHE 98 1.574 -5.836 29.218 794 HD1 PHE 98 HD1 PHE 98 -0.575 -6.623 26.367 795 HD2 PHE 98 HD2 PHE 98 3.363 -5.599 27.619 796 HE1 PHE 98 HE1 PHE 98 0.296 -7.293 24.165 797 HE2 PHE 98 HE2 PHE 98 4.239 -6.266 25.419 798 HZ PHE 98 HZ PHE 98 2.705 -7.114 23.688 799 HA PRO 99 HA PRO 99 -1.124 -7.733 32.825 800 HB2 PRO 99 2HB PRO 99 0.751 -9.617 33.380 801 HB3 PRO 99 3HB PRO 99 -0.767 -9.986 32.554 802 HG2 PRO 99 2HG PRO 99 1.960 -9.549 31.399 803 HG3 PRO 99 3HG PRO 99 0.753 -10.780 30.983 804 HD2 PRO 99 2HD PRO 99 1.128 -8.546 29.498 805 HD3 PRO 99 3HD PRO 99 -0.458 -9.327 29.665 806 H ARG 100 H ARG 100 0.247 -7.806 34.894 807 HA ARG 100 HA ARG 100 1.790 -5.452 35.036 808 HB2 ARG 100 2HB ARG 100 0.491 -6.489 36.921 809 HB3 ARG 100 3HB ARG 100 1.753 -7.708 37.043 810 HG2 ARG 100 2HG ARG 100 3.329 -6.178 37.811 811 HG3 ARG 100 3HG ARG 100 2.403 -4.793 37.231 812 HD2 ARG 100 2HD ARG 100 0.620 -5.489 38.910 813 HD3 ARG 100 3HD ARG 100 1.841 -6.557 39.599 814 HE ARG 100 HE ARG 100 2.882 -3.949 39.373 815 HH11 ARG 100 1HH1 ARG 100 0.575 -5.793 41.217 816 HH12 ARG 100 2HH1 ARG 100 0.721 -4.805 42.633 817 HH21 ARG 100 1HH2 ARG 100 3.083 -2.641 41.231 818 HH22 ARG 100 2HH2 ARG 100 2.147 -3.012 42.639 819 H ASP 101 H ASP 101 2.609 -8.716 34.307 820 HA ASP 101 HA ASP 101 5.387 -8.528 34.984 821 HB2 ASP 101 2HB ASP 101 4.276 -10.501 33.010 822 HB3 ASP 101 3HB ASP 101 5.593 -10.708 34.161 823 H LEU 102 H LEU 102 3.568 -8.478 31.926 824 HA LEU 102 HA LEU 102 5.839 -7.991 30.298 825 HB2 LEU 102 2HB LEU 102 2.889 -7.618 29.849 826 HB3 LEU 102 3HB LEU 102 4.093 -7.274 28.609 827 HG LEU 102 HG LEU 102 3.460 -9.952 29.842 828 HD11 LEU 102 1HD1 LEU 102 2.349 -8.574 27.672 829 HD12 LEU 102 2HD1 LEU 102 2.127 -10.270 28.100 830 HD13 LEU 102 3HD1 LEU 102 3.404 -9.804 26.977 831 HD21 LEU 102 3HD2 LEU 102 5.671 -9.114 27.981 832 HD22 LEU 102 1HD2 LEU 102 5.130 -10.784 28.145 833 HD23 LEU 102 2HD2 LEU 102 5.808 -9.937 29.535 834 H LYS 103 H LYS 103 3.643 -5.934 32.062 835 HA LYS 103 HA LYS 103 4.014 -3.493 30.824 836 HB2 LYS 103 2HB LYS 103 3.487 -4.301 33.658 837 HB3 LYS 103 3HB LYS 103 3.810 -2.611 33.293 838 HG2 LYS 103 2HG LYS 103 1.909 -3.484 31.414 839 HG3 LYS 103 3HG LYS 103 1.389 -4.096 32.986 840 HD2 LYS 103 2HD LYS 103 2.149 -1.230 32.426 841 HD3 LYS 103 3HD LYS 103 0.493 -1.841 32.450 842 HE2 LYS 103 2HE LYS 103 1.534 -2.742 34.836 843 HE3 LYS 103 3HE LYS 103 2.272 -1.151 34.655 844 HZ1 LYS 103 3HZ LYS 103 0.261 -0.801 35.778 845 HZ2 LYS 103 1HZ LYS 103 -0.609 -1.825 34.749 846 HZ3 LYS 103 2HZ LYS 103 -0.053 -0.331 34.184 847 H LYS 104 H LYS 104 6.109 -5.162 33.114 848 HA LYS 104 HA LYS 104 7.933 -3.023 33.492 849 HB2 LYS 104 2HB LYS 104 8.434 -5.990 33.785 850 HB3 LYS 104 3HB LYS 104 9.405 -4.697 34.477 851 HG2 LYS 104 2HG LYS 104 6.519 -4.791 35.164 852 HG3 LYS 104 3HG LYS 104 7.591 -5.991 35.888 853 HD2 LYS 104 2HD LYS 104 8.786 -4.411 37.063 854 HD3 LYS 104 3HD LYS 104 8.391 -3.117 35.930 855 HE2 LYS 104 2HE LYS 104 6.242 -2.841 36.821 856 HE3 LYS 104 3HE LYS 104 6.284 -4.404 37.636 857 HZ1 LYS 104 3HZ LYS 104 7.078 -3.423 39.437 858 HZ2 LYS 104 1HZ LYS 104 6.977 -1.916 38.675 859 HZ3 LYS 104 2HZ LYS 104 8.404 -2.818 38.579 860 H LYS 105 H LYS 105 7.772 -5.709 31.217 861 HA LYS 105 HA LYS 105 10.341 -5.247 30.067 862 HB2 LYS 105 2HB LYS 105 7.977 -6.677 28.841 863 HB3 LYS 105 3HB LYS 105 9.663 -6.833 28.364 864 HG2 LYS 105 2HG LYS 105 10.221 -7.961 30.370 865 HG3 LYS 105 3HG LYS 105 8.663 -7.569 31.101 866 HD2 LYS 105 2HD LYS 105 7.556 -8.944 29.356 867 HD3 LYS 105 3HD LYS 105 9.151 -9.405 28.756 868 HE2 LYS 105 2HE LYS 105 8.180 -11.108 30.243 869 HE3 LYS 105 3HE LYS 105 9.684 -10.442 30.878 870 HZ1 LYS 105 3HZ LYS 105 7.098 -9.304 31.710 871 HZ2 LYS 105 1HZ LYS 105 8.581 -9.291 32.524 872 HZ3 LYS 105 2HZ LYS 105 7.674 -10.716 32.441 873 H LEU 106 H LEU 106 7.112 -4.059 29.451 874 HA LEU 106 HA LEU 106 7.787 -2.864 26.921 875 HB2 LEU 106 2HB LEU 106 5.545 -3.491 27.111 876 HB3 LEU 106 3HB LEU 106 5.393 -2.789 28.720 877 HG LEU 106 HG LEU 106 5.926 -0.934 26.464 878 HD11 LEU 106 1HD1 LEU 106 3.800 -0.972 25.571 879 HD12 LEU 106 2HD1 LEU 106 3.115 -1.815 26.961 880 HD13 LEU 106 3HD1 LEU 106 4.126 -2.689 25.810 881 HD21 LEU 106 3HD2 LEU 106 5.244 0.582 27.945 882 HD22 LEU 106 1HD2 LEU 106 5.300 -0.705 29.149 883 HD23 LEU 106 2HD2 LEU 106 3.785 -0.334 28.325 884 H SER 107 H SER 107 7.370 -1.765 30.252 885 HA SER 107 HA SER 107 7.564 0.988 29.807 886 HB2 SER 107 2HB SER 107 6.929 -0.205 31.968 887 HB3 SER 107 3HB SER 107 8.657 -0.421 32.245 888 HG SER 107 HG SER 107 7.497 2.111 31.738 889 H ARG 108 H ARG 108 10.088 -1.423 30.423 890 HA ARG 108 HA ARG 108 12.251 0.388 30.482 891 HB2 ARG 108 2HB ARG 108 13.655 -1.625 30.077 892 HB3 ARG 108 3HB ARG 108 12.505 -1.829 31.392 893 HG2 ARG 108 2HG ARG 108 11.005 -3.032 29.827 894 HG3 ARG 108 3HG ARG 108 12.266 -2.920 28.598 895 HD2 ARG 108 2HD ARG 108 12.364 -5.082 29.673 896 HD3 ARG 108 3HD ARG 108 13.795 -4.142 30.094 897 HE ARG 108 HE ARG 108 12.048 -3.647 32.125 898 HH11 ARG 108 1HH1 ARG 108 13.387 -6.524 30.692 899 HH12 ARG 108 2HH1 ARG 108 13.325 -7.441 32.160 900 HH21 ARG 108 1HH2 ARG 108 11.962 -4.844 34.064 901 HH22 ARG 108 2HH2 ARG 108 12.514 -6.485 34.078 902 H VAL 109 H VAL 109 10.823 -1.528 27.866 903 HA VAL 109 HA VAL 109 12.679 -0.896 25.865 904 HB VAL 109 HB VAL 109 9.745 -1.570 25.647 905 HG11 VAL 109 1HG1 VAL 109 9.945 -0.750 23.561 906 HG12 VAL 109 2HG1 VAL 109 11.709 -0.796 23.601 907 HG13 VAL 109 3HG1 VAL 109 10.795 -2.264 23.251 908 HG21 VAL 109 3HG2 VAL 109 11.809 -3.451 24.729 909 HG22 VAL 109 1HG2 VAL 109 11.786 -3.153 26.468 910 HG23 VAL 109 2HG2 VAL 109 10.336 -3.742 25.655 911 H VAL 110 H VAL 110 9.708 0.743 26.875 912 HA VAL 110 HA VAL 110 9.541 2.657 24.866 913 HB VAL 110 HB VAL 110 8.804 2.966 27.780 914 HG11 VAL 110 1HG1 VAL 110 8.887 5.140 26.844 915 HG12 VAL 110 2HG1 VAL 110 8.112 4.604 25.352 916 HG13 VAL 110 3HG1 VAL 110 7.188 4.668 26.853 917 HG21 VAL 110 3HG2 VAL 110 6.647 2.583 25.876 918 HG22 VAL 110 1HG2 VAL 110 7.771 1.224 25.897 919 HG23 VAL 110 2HG2 VAL 110 6.982 1.739 27.388 920 H ASN 111 H ASN 111 11.539 2.572 27.754 921 HA ASN 111 HA ASN 111 12.436 5.271 27.568 922 HB2 ASN 111 2HB ASN 111 13.195 2.867 29.160 923 HB3 ASN 111 3HB ASN 111 14.363 4.181 29.048 924 HD21 ASN 111 1HD2 ASN 111 11.631 3.017 30.613 925 HD22 ASN 111 2HD2 ASN 111 11.224 4.439 31.507 926 H ILE 112 H ILE 112 13.559 2.197 26.310 927 HA ILE 112 HA ILE 112 16.146 2.797 25.568 928 HB ILE 112 HB ILE 112 14.147 1.162 24.001 929 HG12 ILE 112 2HG1 ILE 112 16.176 0.355 26.097 930 HG13 ILE 112 3HG1 ILE 112 14.429 0.386 26.312 931 HG21 ILE 112 1HG2 ILE 112 16.047 1.756 22.624 932 HG22 ILE 112 2HG2 ILE 112 17.159 1.220 23.882 933 HG23 ILE 112 3HG2 ILE 112 16.132 0.049 23.057 934 HD11 ILE 112 3HD1 ILE 112 16.131 -1.546 24.849 935 HD12 ILE 112 1HD1 ILE 112 14.733 -1.822 25.888 936 HD13 ILE 112 2HD1 ILE 112 14.506 -1.241 24.238 937 H LEU 113 H LEU 113 13.134 3.634 23.933 938 HA LEU 113 HA LEU 113 14.082 4.543 21.509 939 HB2 LEU 113 2HB LEU 113 11.802 5.405 23.244 940 HB3 LEU 113 3HB LEU 113 12.146 6.252 21.737 941 HG LEU 113 HG LEU 113 10.388 4.632 21.395 942 HD11 LEU 113 1HD1 LEU 113 12.049 5.034 19.599 943 HD12 LEU 113 2HD1 LEU 113 11.301 3.439 19.524 944 HD13 LEU 113 3HD1 LEU 113 12.939 3.616 20.154 945 HD21 LEU 113 3HD2 LEU 113 10.996 3.118 23.244 946 HD22 LEU 113 1HD2 LEU 113 12.368 2.543 22.296 947 HD23 LEU 113 2HD2 LEU 113 10.723 2.260 21.727 948 H LYS 114 H LYS 114 14.134 6.139 24.639 949 HA LYS 114 HA LYS 114 14.935 8.692 23.702 950 HB2 LYS 114 2HB LYS 114 15.408 7.444 26.415 951 HB3 LYS 114 3HB LYS 114 15.503 9.158 26.032 952 HG2 LYS 114 2HG LYS 114 12.957 7.798 25.401 953 HG3 LYS 114 3HG LYS 114 13.345 8.020 27.108 954 HD2 LYS 114 2HD LYS 114 13.625 10.315 25.215 955 HD3 LYS 114 3HD LYS 114 12.026 9.865 25.810 956 HE2 LYS 114 2HE LYS 114 14.353 10.328 27.655 957 HE3 LYS 114 3HE LYS 114 13.307 11.642 27.118 958 HZ1 LYS 114 3HZ LYS 114 12.732 9.434 28.941 959 HZ2 LYS 114 1HZ LYS 114 11.470 9.961 27.944 960 HZ3 LYS 114 2HZ LYS 114 12.223 11.046 29.000 961 H GLU 115 H GLU 115 16.712 5.843 24.797 962 HA GLU 115 HA GLU 115 19.272 6.950 24.895 963 HB2 GLU 115 2HB GLU 115 18.215 4.184 24.467 964 HB3 GLU 115 3HB GLU 115 19.933 4.489 24.250 965 HG2 GLU 115 2HG GLU 115 20.123 5.278 26.519 966 HG3 GLU 115 3HG GLU 115 18.383 5.119 26.752 967 H ARG 116 H ARG 116 17.639 5.285 22.206 968 HA ARG 116 HA ARG 116 19.792 5.853 20.382 969 HB2 ARG 116 2HB ARG 116 17.026 4.910 19.641 970 HB3 ARG 116 3HB ARG 116 18.527 4.671 18.756 971 HG2 ARG 116 2HG ARG 116 17.764 3.405 21.379 972 HG3 ARG 116 3HG ARG 116 17.862 2.612 19.805 973 HD2 ARG 116 2HD ARG 116 20.148 3.840 21.341 974 HD3 ARG 116 3HD ARG 116 19.836 2.118 21.129 975 HE ARG 116 HE ARG 116 20.099 3.489 18.638 976 HH11 ARG 116 1HH1 ARG 116 21.879 2.066 21.269 977 HH12 ARG 116 2HH1 ARG 116 23.289 1.745 20.314 978 HH21 ARG 116 1HH2 ARG 116 21.948 3.071 17.370 979 HH22 ARG 116 2HH2 ARG 116 23.327 2.318 18.096 980 H ASN 117 H ASN 117 17.030 7.505 21.492 981 HA ASN 117 HA ASN 117 16.081 9.499 20.948 982 HB2 ASN 117 2HB ASN 117 18.671 9.982 20.740 983 HB3 ASN 117 3HB ASN 117 18.284 10.129 19.028 984 HD21 ASN 117 1HD2 ASN 117 18.819 12.323 19.072 985 HD22 ASN 117 2HD2 ASN 117 17.767 13.499 19.773 986 H ILE 118 H ILE 118 15.140 7.327 19.552 987 HA ILE 118 HA ILE 118 15.106 7.718 16.738 988 HB ILE 118 HB ILE 118 13.014 6.266 18.352 989 HG12 ILE 118 2HG1 ILE 118 15.194 5.437 19.035 990 HG13 ILE 118 3HG1 ILE 118 14.407 4.241 18.012 991 HG21 ILE 118 1HG2 ILE 118 12.137 6.010 16.315 992 HG22 ILE 118 2HG2 ILE 118 13.602 6.582 15.519 993 HG23 ILE 118 3HG2 ILE 118 13.469 4.894 16.013 994 HD11 ILE 118 3HD1 ILE 118 16.784 4.480 17.506 995 HD12 ILE 118 1HD1 ILE 118 15.770 4.919 16.131 996 HD13 ILE 118 2HD1 ILE 118 16.524 6.178 17.109 997 H PHE 119 H PHE 119 12.358 7.984 18.996 998 HA PHE 119 HA PHE 119 10.979 9.750 17.182 999 HB2 PHE 119 2HB PHE 119 10.152 9.049 19.998 1000 HB3 PHE 119 3HB PHE 119 9.125 9.587 18.673 1001 HD1 PHE 119 HD2 PHE 119 10.021 7.875 16.474 1002 HD2 PHE 119 HD1 PHE 119 9.364 6.955 20.577 1003 HE1 PHE 119 HE2 PHE 119 9.571 5.532 15.873 1004 HE2 PHE 119 HE1 PHE 119 8.914 4.610 19.983 1005 HZ PHE 119 HZ PHE 119 9.017 3.896 17.628 1006 H SER 120 H SER 120 10.017 11.808 17.984 1007 HA SER 120 HA SER 120 12.100 13.389 19.265 1008 HB2 SER 120 2HB SER 120 9.594 14.108 17.746 1009 HB3 SER 120 3HB SER 120 10.561 15.316 18.592 1010 HG SER 120 HG SER 120 11.375 15.277 16.568 1011 H LYS 121 H LYS 121 10.984 15.363 20.551 1012 HA LYS 121 HA LYS 121 10.118 14.254 22.993 1013 HB2 LYS 121 2HB LYS 121 11.259 16.557 22.424 1014 HB3 LYS 121 3HB LYS 121 9.597 17.122 22.319 1015 HG2 LYS 121 2HG LYS 121 10.329 17.579 24.513 1016 HG3 LYS 121 3HG LYS 121 9.247 16.189 24.628 1017 HD2 LYS 121 2HD LYS 121 11.426 14.795 24.425 1018 HD3 LYS 121 3HD LYS 121 12.230 16.297 24.888 1019 HE2 LYS 121 2HE LYS 121 10.062 14.893 26.448 1020 HE3 LYS 121 3HE LYS 121 11.783 14.878 26.831 1021 HZ1 LYS 121 3HZ LYS 121 11.586 16.808 27.874 1022 HZ2 LYS 121 1HZ LYS 121 9.908 16.705 27.688 1023 HZ3 LYS 121 2HZ LYS 121 10.836 17.537 26.544 1024 H GLN 122 H GLN 122 8.379 15.855 20.364 1025 HA GLN 122 HA GLN 122 5.876 16.070 21.575 1026 HB2 GLN 122 2HB GLN 122 6.812 16.863 19.223 1027 HB3 GLN 122 3HB GLN 122 6.032 15.384 18.677 1028 HG2 GLN 122 2HG GLN 122 3.911 16.132 19.300 1029 HG3 GLN 122 3HG GLN 122 4.565 17.404 20.330 1030 HE21 GLN 122 1HE2 GLN 122 2.893 18.568 18.985 1031 HE22 GLN 122 2HE2 GLN 122 3.449 19.297 17.521 1032 H VAL 123 H VAL 123 7.439 13.345 20.012 1033 HA VAL 123 HA VAL 123 5.080 11.697 20.027 1034 HB VAL 123 HB VAL 123 7.963 10.887 19.627 1035 HG11 VAL 123 1HG1 VAL 123 6.753 9.005 18.332 1036 HG12 VAL 123 2HG1 VAL 123 6.832 8.913 20.093 1037 HG13 VAL 123 3HG1 VAL 123 5.352 9.458 19.303 1038 HG21 VAL 123 3HG2 VAL 123 7.453 10.965 17.233 1039 HG22 VAL 123 1HG2 VAL 123 5.841 11.582 17.598 1040 HG23 VAL 123 2HG2 VAL 123 7.264 12.549 17.985 1041 H VAL 124 H VAL 124 8.120 11.772 21.875 1042 HA VAL 124 HA VAL 124 7.631 9.616 23.560 1043 HB VAL 124 HB VAL 124 9.127 12.162 24.199 1044 HG11 VAL 124 1HG1 VAL 124 8.549 10.942 26.224 1045 HG12 VAL 124 2HG1 VAL 124 9.223 9.461 25.540 1046 HG13 VAL 124 3HG1 VAL 124 10.279 10.828 25.901 1047 HG21 VAL 124 3HG2 VAL 124 10.399 9.567 23.441 1048 HG22 VAL 124 1HG2 VAL 124 9.780 10.641 22.187 1049 HG23 VAL 124 2HG2 VAL 124 11.027 11.208 23.297 1050 H ASN 125 H ASN 125 6.769 13.034 23.977 1051 HA ASN 125 HA ASN 125 5.704 12.898 26.540 1052 HB2 ASN 125 2HB ASN 125 5.364 14.700 24.206 1053 HB3 ASN 125 3HB ASN 125 4.122 14.784 25.452 1054 HD21 ASN 125 1HD2 ASN 125 6.729 16.301 24.465 1055 HD22 ASN 125 2HD2 ASN 125 7.402 16.836 25.964 1056 H ASP 126 H ASP 126 4.375 11.861 23.495 1057 HA ASP 126 HA ASP 126 1.676 11.609 24.416 1058 HB2 ASP 126 2HB ASP 126 2.482 11.856 21.990 1059 HB3 ASP 126 3HB ASP 126 2.860 10.137 22.070 1060 H ILE 127 H ILE 127 4.377 9.365 23.935 1061 HA ILE 127 HA ILE 127 3.064 6.988 24.551 1062 HB ILE 127 HB ILE 127 5.937 7.708 25.144 1063 HG12 ILE 127 2HG1 ILE 127 4.867 6.182 22.772 1064 HG13 ILE 127 3HG1 ILE 127 5.091 7.928 22.744 1065 HG21 ILE 127 1HG2 ILE 127 4.455 5.101 25.135 1066 HG22 ILE 127 2HG2 ILE 127 6.195 5.173 24.864 1067 HG23 ILE 127 3HG2 ILE 127 5.514 5.770 26.377 1068 HD11 ILE 127 3HD1 ILE 127 7.121 5.755 22.823 1069 HD12 ILE 127 1HD1 ILE 127 7.046 7.195 21.808 1070 HD13 ILE 127 2HD1 ILE 127 7.513 7.334 23.504 1071 H GLU 128 H GLU 128 4.947 9.092 26.730 1072 HA GLU 128 HA GLU 128 4.553 7.687 29.084 1073 HB2 GLU 128 2HB GLU 128 4.824 10.664 28.650 1074 HB3 GLU 128 3HB GLU 128 4.894 9.893 30.228 1075 HG2 GLU 128 2HG GLU 128 6.748 9.169 27.980 1076 HG3 GLU 128 3HG GLU 128 7.102 10.442 29.148 1077 H ARG 129 H ARG 129 2.569 10.309 27.729 1078 HA ARG 129 HA ARG 129 0.674 10.470 29.756 1079 HB2 ARG 129 2HB ARG 129 0.388 10.938 26.786 1080 HB3 ARG 129 3HB ARG 129 -0.852 11.352 27.962 1081 HG2 ARG 129 2HG ARG 129 1.921 12.409 28.284 1082 HG3 ARG 129 3HG ARG 129 0.806 13.165 27.145 1083 HD2 ARG 129 2HD ARG 129 0.287 12.727 30.084 1084 HD3 ARG 129 3HD ARG 129 0.763 14.256 29.345 1085 HE ARG 129 HE ARG 129 -1.485 13.549 27.992 1086 HH11 ARG 129 1HH1 ARG 129 -0.700 13.946 31.360 1087 HH12 ARG 129 2HH1 ARG 129 -2.302 14.427 31.811 1088 HH21 ARG 129 1HH2 ARG 129 -3.598 14.181 28.573 1089 HH22 ARG 129 2HH2 ARG 129 -3.950 14.560 30.226 1090 H SER 130 H SER 130 0.737 8.392 26.886 1091 HA SER 130 HA SER 130 -1.770 7.219 27.145 1092 HB2 SER 130 2HB SER 130 0.811 6.379 25.897 1093 HB3 SER 130 3HB SER 130 -0.469 5.176 26.062 1094 HG SER 130 HG SER 130 -1.814 6.472 24.839 1095 H LEU 131 H LEU 131 1.345 5.909 28.292 1096 HA LEU 131 HA LEU 131 0.252 3.748 29.707 1097 HB2 LEU 131 2HB LEU 131 2.806 5.201 30.364 1098 HB3 LEU 131 3HB LEU 131 2.398 3.532 30.755 1099 HG LEU 131 HG LEU 131 2.989 4.667 28.025 1100 HD11 LEU 131 1HD1 LEU 131 5.059 3.878 28.263 1101 HD12 LEU 131 2HD1 LEU 131 4.494 2.365 28.972 1102 HD13 LEU 131 3HD1 LEU 131 4.704 3.791 29.989 1103 HD21 LEU 131 3HD2 LEU 131 2.888 1.915 27.824 1104 HD22 LEU 131 1HD2 LEU 131 1.674 3.051 27.233 1105 HD23 LEU 131 2HD2 LEU 131 1.489 2.311 28.824 1106 H ALA 132 H ALA 132 1.057 7.038 30.726 1107 HA ALA 132 HA ALA 132 0.669 6.797 33.460 1108 HB1 ALA 132 1HB ALA 132 -0.153 9.211 31.864 1109 HB2 ALA 132 2HB ALA 132 0.430 9.150 33.528 1110 HB3 ALA 132 3HB ALA 132 1.531 8.803 32.195 1111 H ALA 133 H ALA 133 -1.696 7.206 30.882 1112 HA ALA 133 HA ALA 133 -3.945 7.734 32.482 1113 HB1 ALA 133 1HB ALA 133 -4.233 6.178 29.958 1114 HB2 ALA 133 2HB ALA 133 -5.190 7.529 30.568 1115 HB3 ALA 133 3HB ALA 133 -3.591 7.819 29.882 1116 H ALA 134 H ALA 134 -2.273 4.779 31.720 1117 HA ALA 134 HA ALA 134 -4.387 3.024 32.542 1118 HB1 ALA 134 1HB ALA 134 -1.453 2.548 32.047 1119 HB2 ALA 134 2HB ALA 134 -2.608 1.276 32.449 1120 HB3 ALA 134 3HB ALA 134 -2.797 2.200 30.959 1121 H LEU 135 H LEU 135 -1.924 4.808 34.144 1122 HA LEU 135 HA LEU 135 -1.673 3.170 36.458 1123 HB2 LEU 135 2HB LEU 135 0.029 4.795 35.819 1124 HB3 LEU 135 3HB LEU 135 -1.117 6.108 36.073 1125 HG LEU 135 HG LEU 135 -1.127 5.710 38.446 1126 HD11 LEU 135 1HD1 LEU 135 0.853 3.922 39.031 1127 HD12 LEU 135 2HD1 LEU 135 0.062 3.164 37.649 1128 HD13 LEU 135 3HD1 LEU 135 -0.877 3.582 39.082 1129 HD21 LEU 135 3HD2 LEU 135 1.763 5.530 38.120 1130 HD22 LEU 135 1HD2 LEU 135 0.772 6.841 38.762 1131 HD23 LEU 135 2HD2 LEU 135 1.009 6.685 37.021 1132 H GLU 136 H GLU 136 -4.060 5.356 35.364 1133 HA GLU 136 HA GLU 136 -5.139 5.778 38.047 1134 HB2 GLU 136 2HB GLU 136 -4.962 7.592 36.204 1135 HB3 GLU 136 3HB GLU 136 -6.375 6.808 35.511 1136 HG2 GLU 136 2HG GLU 136 -7.525 7.134 37.708 1137 HG3 GLU 136 3HG GLU 136 -6.144 8.107 38.212 1138 H HIS 137 H HIS 137 -5.148 3.129 36.912 1139 HA HIS 137 HA HIS 137 -7.828 2.569 36.019 1140 HB2 HIS 137 2HB HIS 137 -7.137 0.253 35.967 1141 HB3 HIS 137 3HB HIS 137 -5.857 1.243 35.271 1142 HD1 HIS 137 HD1 HIS 137 -3.789 1.739 36.947 1143 HD2 HIS 137 HD2 HIS 137 -6.334 -1.372 37.998 1144 HE1 HIS 137 HE1 HIS 137 -2.517 0.370 38.630 1145 H HIS 138 H HIS 138 -6.146 2.699 39.036 1146 HA HIS 138 HA HIS 138 -8.351 1.340 40.413 1147 HB2 HIS 138 2HB HIS 138 -5.884 0.754 40.832 1148 HB3 HIS 138 3HB HIS 138 -5.795 2.286 41.696 1149 HD1 HIS 138 HD1 HIS 138 -6.636 2.320 44.061 1150 HD2 HIS 138 HD2 HIS 138 -7.689 -1.153 42.038 1151 HE1 HIS 138 HE1 HIS 138 -7.622 0.799 45.804 Start of MODEL 20 1 H ALA 2 H ALA 2 11.206 -7.559 -3.554 2 HA ALA 2 HA ALA 2 8.603 -6.436 -4.361 3 HB1 ALA 2 1HB ALA 2 9.771 -9.134 -4.909 4 HB2 ALA 2 2HB ALA 2 8.022 -8.924 -4.805 5 HB3 ALA 2 3HB ALA 2 8.949 -8.025 -6.007 6 H PHE 3 H PHE 3 7.375 -6.133 -2.631 7 HA PHE 3 HA PHE 3 7.552 -8.078 -0.424 8 HB2 PHE 3 2HB PHE 3 7.116 -6.335 1.147 9 HB3 PHE 3 3HB PHE 3 8.394 -5.751 0.086 10 HD1 PHE 3 HD2 PHE 3 7.662 -4.279 -1.902 11 HD2 PHE 3 HD1 PHE 3 5.229 -5.050 1.504 12 HE1 PHE 3 HE2 PHE 3 6.329 -2.274 -2.405 13 HE2 PHE 3 HE1 PHE 3 3.891 -3.046 1.006 14 HZ PHE 3 HZ PHE 3 4.441 -1.654 -0.950 15 H SER 4 H SER 4 5.458 -7.819 1.015 16 HA SER 4 HA SER 4 3.066 -7.447 -0.606 17 HB2 SER 4 2HB SER 4 4.037 -9.922 -0.627 18 HB3 SER 4 3HB SER 4 3.203 -10.006 0.925 19 HG SER 4 HG SER 4 1.862 -10.637 -0.829 20 H SER 5 H SER 5 1.547 -6.459 0.546 21 HA SER 5 HA SER 5 1.902 -5.678 3.201 22 HB2 SER 5 2HB SER 5 -0.515 -5.019 3.105 23 HB3 SER 5 3HB SER 5 0.440 -4.422 1.748 24 HG SER 5 HG SER 5 -1.733 -5.962 1.694 25 H GLU 6 H GLU 6 0.526 -8.559 1.854 26 HA GLU 6 HA GLU 6 -0.868 -9.350 4.240 27 HB2 GLU 6 2HB GLU 6 -1.344 -11.400 3.084 28 HB3 GLU 6 3HB GLU 6 -1.542 -10.072 1.949 29 HG2 GLU 6 2HG GLU 6 0.756 -10.553 1.105 30 HG3 GLU 6 3HG GLU 6 0.766 -11.990 2.126 31 H GLN 7 H GLN 7 2.290 -9.897 2.836 32 HA GLN 7 HA GLN 7 3.087 -12.089 4.397 33 HB2 GLN 7 2HB GLN 7 4.407 -10.073 2.707 34 HB3 GLN 7 3HB GLN 7 5.425 -10.747 3.973 35 HG2 GLN 7 2HG GLN 7 3.868 -12.446 2.047 36 HG3 GLN 7 3HG GLN 7 5.516 -11.901 1.741 37 HE21 GLN 7 1HE2 GLN 7 7.193 -12.652 3.090 38 HE22 GLN 7 2HE2 GLN 7 7.022 -14.111 4.000 39 H PHE 8 H PHE 8 3.449 -8.600 4.930 40 HA PHE 8 HA PHE 8 4.937 -8.702 7.284 41 HB2 PHE 8 2HB PHE 8 4.557 -6.628 6.031 42 HB3 PHE 8 3HB PHE 8 2.853 -6.665 6.470 43 HD1 PHE 8 HD2 PHE 8 6.134 -6.918 8.238 44 HD2 PHE 8 HD1 PHE 8 2.245 -5.195 8.109 45 HE1 PHE 8 HE2 PHE 8 6.637 -5.639 10.278 46 HE2 PHE 8 HE1 PHE 8 2.742 -3.911 10.148 47 HZ PHE 8 HZ PHE 8 4.940 -4.133 11.236 48 H THR 9 H THR 9 1.437 -8.816 6.792 49 HA THR 9 HA THR 9 0.796 -8.834 9.573 50 HB THR 9 HB THR 9 -1.095 -10.023 7.604 51 HG1 THR 9 HG1 THR 9 -1.516 -8.043 6.674 52 HG21 THR 9 3HG2 THR 9 -1.172 -8.423 10.092 53 HG22 THR 9 1HG2 THR 9 -2.218 -9.737 9.558 54 HG23 THR 9 2HG2 THR 9 -2.448 -8.111 8.916 55 H THR 10 H THR 10 0.772 -11.371 7.069 56 HA THR 10 HA THR 10 0.066 -13.510 8.704 57 HB THR 10 HB THR 10 1.859 -13.565 6.268 58 HG1 THR 10 HG1 THR 10 -0.907 -14.184 6.376 59 HG21 THR 10 3HG2 THR 10 0.433 -15.732 7.792 60 HG22 THR 10 1HG2 THR 10 2.135 -15.646 7.343 61 HG23 THR 10 2HG2 THR 10 0.911 -15.928 6.106 62 H LYS 11 H LYS 11 3.176 -11.982 8.176 63 HA LYS 11 HA LYS 11 4.693 -14.019 9.507 64 HB2 LYS 11 2HB LYS 11 5.283 -11.260 8.489 65 HB3 LYS 11 3HB LYS 11 6.438 -12.075 9.536 66 HG2 LYS 11 2HG LYS 11 6.099 -14.030 7.792 67 HG3 LYS 11 3HG LYS 11 5.643 -12.685 6.743 68 HD2 LYS 11 2HD LYS 11 7.950 -12.944 6.407 69 HD3 LYS 11 3HD LYS 11 7.814 -11.578 7.517 70 HE2 LYS 11 2HE LYS 11 9.478 -12.821 8.514 71 HE3 LYS 11 3HE LYS 11 8.046 -13.409 9.357 72 HZ1 LYS 11 3HZ LYS 11 8.044 -15.375 8.120 73 HZ2 LYS 11 1HZ LYS 11 9.674 -15.131 8.503 74 HZ3 LYS 11 2HZ LYS 11 9.106 -14.766 6.953 75 H LEU 12 H LEU 12 3.522 -10.784 10.387 76 HA LEU 12 HA LEU 12 4.641 -10.555 12.903 77 HB2 LEU 12 2HB LEU 12 2.146 -9.518 11.648 78 HB3 LEU 12 3HB LEU 12 2.386 -9.288 13.379 79 HG LEU 12 HG LEU 12 4.450 -8.402 11.387 80 HD11 LEU 12 1HD1 LEU 12 1.799 -7.270 11.858 81 HD12 LEU 12 2HD1 LEU 12 2.946 -6.975 10.552 82 HD13 LEU 12 3HD1 LEU 12 3.118 -6.122 12.086 83 HD21 LEU 12 3HD2 LEU 12 3.928 -6.906 13.856 84 HD22 LEU 12 1HD2 LEU 12 5.454 -7.419 13.136 85 HD23 LEU 12 2HD2 LEU 12 4.508 -8.555 14.098 86 H ASN 13 H ASN 13 1.938 -12.488 11.852 87 HA ASN 13 HA ASN 13 0.996 -13.073 14.504 88 HB2 ASN 13 2HB ASN 13 0.302 -13.964 11.740 89 HB3 ASN 13 3HB ASN 13 -0.198 -14.977 13.092 90 HD21 ASN 13 1HD2 ASN 13 -1.087 -12.483 11.135 91 HD22 ASN 13 2HD2 ASN 13 -2.318 -11.774 12.118 92 H THR 14 H THR 14 3.014 -14.678 12.096 93 HA THR 14 HA THR 14 3.443 -16.940 13.896 94 HB THR 14 HB THR 14 3.019 -17.423 11.515 95 HG1 THR 14 HG1 THR 14 4.568 -18.977 11.429 96 HG21 THR 14 3HG2 THR 14 5.023 -15.379 11.151 97 HG22 THR 14 1HG2 THR 14 3.926 -16.094 9.970 98 HG23 THR 14 2HG2 THR 14 5.478 -16.860 10.310 99 H LEU 15 H LEU 15 4.537 -14.129 14.244 100 HA LEU 15 HA LEU 15 7.371 -14.357 13.884 101 HB2 LEU 15 2HB LEU 15 5.477 -12.355 14.848 102 HB3 LEU 15 3HB LEU 15 7.004 -12.358 15.729 103 HG LEU 15 HG LEU 15 6.668 -11.990 12.752 104 HD11 LEU 15 1HD1 LEU 15 7.808 -9.946 14.591 105 HD12 LEU 15 2HD1 LEU 15 6.057 -10.135 14.506 106 HD13 LEU 15 3HD1 LEU 15 6.973 -9.743 13.051 107 HD21 LEU 15 3HD2 LEU 15 9.226 -11.221 13.614 108 HD22 LEU 15 1HD2 LEU 15 8.799 -12.582 12.577 109 HD23 LEU 15 2HD2 LEU 15 8.925 -12.809 14.322 110 H GLU 16 H GLU 16 8.947 -14.374 15.593 111 HA GLU 16 HA GLU 16 8.009 -15.469 18.148 112 HB2 GLU 16 2HB GLU 16 9.972 -17.075 18.058 113 HB3 GLU 16 3HB GLU 16 8.620 -17.441 16.996 114 HG2 GLU 16 2HG GLU 16 9.796 -16.624 15.092 115 HG3 GLU 16 3HG GLU 16 11.093 -15.985 16.102 116 H ASP 17 H ASP 17 9.921 -15.604 19.735 117 HA ASP 17 HA ASP 17 11.265 -13.016 19.658 118 HB2 ASP 17 2HB ASP 17 9.984 -13.750 21.682 119 HB3 ASP 17 3HB ASP 17 11.176 -15.026 21.914 120 H SER 18 H SER 18 12.863 -13.497 18.095 121 HA SER 18 HA SER 18 15.162 -14.901 19.216 122 HB2 SER 18 2HB SER 18 14.467 -16.703 17.942 123 HB3 SER 18 3HB SER 18 13.715 -15.682 16.717 124 HG SER 18 HG SER 18 15.496 -16.195 15.682 125 H GLN 19 H GLN 19 17.131 -14.107 18.544 126 HA GLN 19 HA GLN 19 17.267 -11.448 17.716 127 HB2 GLN 19 2HB GLN 19 19.069 -12.528 18.956 128 HB3 GLN 19 3HB GLN 19 19.397 -13.590 17.593 129 HG2 GLN 19 2HG GLN 19 21.043 -11.882 17.595 130 HG3 GLN 19 3HG GLN 19 19.953 -11.574 16.244 131 HE21 GLN 19 1HE2 GLN 19 18.530 -9.827 16.348 132 HE22 GLN 19 2HE2 GLN 19 18.761 -8.528 17.464 133 H GLU 20 H GLU 20 17.442 -14.436 15.872 134 HA GLU 20 HA GLU 20 18.200 -13.159 13.421 135 HB2 GLU 20 2HB GLU 20 17.163 -15.919 14.060 136 HB3 GLU 20 3HB GLU 20 17.554 -15.403 12.426 137 HG2 GLU 20 2HG GLU 20 19.507 -16.411 13.004 138 HG3 GLU 20 3HG GLU 20 19.850 -14.762 13.523 139 H SER 21 H SER 21 15.190 -14.122 14.939 140 HA SER 21 HA SER 21 13.523 -13.815 12.675 141 HB2 SER 21 2HB SER 21 12.845 -15.052 14.710 142 HB3 SER 21 3HB SER 21 12.797 -13.531 15.602 143 HG SER 21 HG SER 21 10.730 -14.028 14.888 144 H ILE 22 H ILE 22 14.243 -11.631 15.391 145 HA ILE 22 HA ILE 22 12.679 -9.477 14.464 146 HB ILE 22 HB ILE 22 15.138 -9.335 16.212 147 HG12 ILE 22 2HG1 ILE 22 13.427 -10.918 17.063 148 HG13 ILE 22 3HG1 ILE 22 13.625 -9.513 18.105 149 HG21 ILE 22 1HG2 ILE 22 14.160 -7.265 17.047 150 HG22 ILE 22 2HG2 ILE 22 14.434 -7.176 15.308 151 HG23 ILE 22 3HG2 ILE 22 12.807 -7.444 15.931 152 HD11 ILE 22 3HD1 ILE 22 11.264 -10.291 17.681 153 HD12 ILE 22 1HD1 ILE 22 11.588 -8.581 17.401 154 HD13 ILE 22 2HD1 ILE 22 11.463 -9.690 16.035 155 H SER 23 H SER 23 15.982 -10.463 13.818 156 HA SER 23 HA SER 23 16.739 -8.040 12.501 157 HB2 SER 23 2HB SER 23 18.408 -9.538 13.520 158 HB3 SER 23 3HB SER 23 17.990 -10.796 12.357 159 HG SER 23 HG SER 23 19.760 -8.881 12.064 160 H SER 24 H SER 24 15.791 -11.276 11.378 161 HA SER 24 HA SER 24 16.033 -10.825 8.638 162 HB2 SER 24 2HB SER 24 15.558 -13.025 9.914 163 HB3 SER 24 3HB SER 24 13.861 -12.561 9.793 164 HG SER 24 HG SER 24 14.115 -13.638 7.963 165 H ALA 25 H ALA 25 13.503 -9.946 10.880 166 HA ALA 25 HA ALA 25 11.646 -9.181 8.803 167 HB1 ALA 25 1HB ALA 25 11.542 -8.710 11.780 168 HB2 ALA 25 2HB ALA 25 10.225 -8.425 10.642 169 HB3 ALA 25 3HB ALA 25 10.812 -10.064 10.918 170 H SER 26 H SER 26 13.679 -7.517 11.193 171 HA SER 26 HA SER 26 12.947 -4.901 10.667 172 HB2 SER 26 2HB SER 26 14.478 -5.666 12.501 173 HB3 SER 26 3HB SER 26 15.758 -5.826 11.298 174 HG SER 26 HG SER 26 15.997 -3.816 12.134 175 H LYS 27 H LYS 27 15.452 -6.851 9.079 176 HA LYS 27 HA LYS 27 16.363 -4.858 7.318 177 HB2 LYS 27 2HB LYS 27 17.597 -6.531 6.272 178 HB3 LYS 27 3HB LYS 27 17.386 -7.168 7.898 179 HG2 LYS 27 2HG LYS 27 15.279 -8.314 6.842 180 HG3 LYS 27 3HG LYS 27 16.165 -8.062 5.336 181 HD2 LYS 27 2HD LYS 27 17.632 -9.241 7.637 182 HD3 LYS 27 3HD LYS 27 16.466 -10.259 6.789 183 HE2 LYS 27 2HE LYS 27 17.655 -9.488 4.648 184 HE3 LYS 27 3HE LYS 27 18.943 -8.944 5.721 185 HZ1 LYS 27 3HZ LYS 27 18.835 -11.386 4.692 186 HZ2 LYS 27 1HZ LYS 27 17.998 -11.660 6.136 187 HZ3 LYS 27 2HZ LYS 27 19.573 -11.043 6.175 188 H TRP 28 H TRP 28 13.662 -7.072 7.164 189 HA TRP 28 HA TRP 28 13.090 -6.803 4.412 190 HB2 TRP 28 2HB TRP 28 12.179 -8.541 6.057 191 HB3 TRP 28 3HB TRP 28 11.024 -7.305 6.549 192 HD1 TRP 28 HD1 TRP 28 12.156 -8.435 3.002 193 HE1 TRP 28 HE1 TRP 28 10.039 -8.958 1.634 194 HE3 TRP 28 HE3 TRP 28 8.629 -7.575 6.602 195 HZ2 TRP 28 HZ2 TRP 28 7.245 -9.001 2.028 196 HZ3 TRP 28 HZ3 TRP 28 6.256 -7.879 6.025 197 HH2 TRP 28 HH2 TRP 28 5.580 -8.577 3.785 198 H LEU 29 H LEU 29 11.651 -5.198 7.251 199 HA LEU 29 HA LEU 29 10.055 -3.427 5.700 200 HB2 LEU 29 2HB LEU 29 10.922 -3.346 8.583 201 HB3 LEU 29 3HB LEU 29 9.785 -2.206 7.866 202 HG LEU 29 HG LEU 29 9.121 -5.076 7.593 203 HD11 LEU 29 1HD1 LEU 29 8.563 -5.491 9.777 204 HD12 LEU 29 2HD1 LEU 29 8.470 -3.780 10.196 205 HD13 LEU 29 3HD1 LEU 29 10.042 -4.554 9.991 206 HD21 LEU 29 3HD2 LEU 29 7.020 -3.524 8.636 207 HD22 LEU 29 1HD2 LEU 29 7.221 -4.107 6.983 208 HD23 LEU 29 2HD2 LEU 29 7.840 -2.519 7.439 209 H LEU 30 H LEU 30 13.312 -3.335 6.910 210 HA LEU 30 HA LEU 30 13.840 -0.612 6.901 211 HB2 LEU 30 2HB LEU 30 15.333 -3.033 6.980 212 HB3 LEU 30 3HB LEU 30 16.096 -1.950 5.818 213 HG LEU 30 HG LEU 30 16.449 -0.285 7.492 214 HD11 LEU 30 1HD1 LEU 30 14.684 -2.019 9.192 215 HD12 LEU 30 2HD1 LEU 30 14.492 -0.315 8.784 216 HD13 LEU 30 3HD1 LEU 30 15.772 -0.818 9.887 217 HD21 LEU 30 3HD2 LEU 30 17.518 -2.905 7.655 218 HD22 LEU 30 1HD2 LEU 30 17.322 -2.296 9.298 219 HD23 LEU 30 2HD2 LEU 30 18.269 -1.380 8.126 220 H LEU 31 H LEU 31 13.568 -2.857 4.230 221 HA LEU 31 HA LEU 31 14.451 -0.841 2.318 222 HB2 LEU 31 2HB LEU 31 13.498 -3.657 1.822 223 HB3 LEU 31 3HB LEU 31 14.288 -2.594 0.659 224 HG LEU 31 HG LEU 31 15.693 -3.432 3.171 225 HD11 LEU 31 1HD1 LEU 31 15.847 -4.950 0.582 226 HD12 LEU 31 2HD1 LEU 31 14.801 -5.437 1.916 227 HD13 LEU 31 3HD1 LEU 31 16.548 -5.374 2.144 228 HD21 LEU 31 3HD2 LEU 31 16.432 -2.278 0.519 229 HD22 LEU 31 1HD2 LEU 31 17.611 -3.240 1.411 230 HD23 LEU 31 2HD2 LEU 31 16.928 -1.786 2.139 231 H GLN 32 H GLN 32 11.820 -0.932 3.939 232 HA GLN 32 HA GLN 32 10.021 -0.548 1.637 233 HB2 GLN 32 2HB GLN 32 9.420 -1.511 4.432 234 HB3 GLN 32 3HB GLN 32 8.170 -0.989 3.311 235 HG2 GLN 32 2HG GLN 32 8.570 -2.774 1.853 236 HG3 GLN 32 3HG GLN 32 10.126 -3.142 2.595 237 HE21 GLN 32 1HE2 GLN 32 9.963 -5.083 3.464 238 HE22 GLN 32 2HE2 GLN 32 8.682 -5.632 4.485 239 H TYR 33 H TYR 33 11.752 1.474 2.559 240 HA TYR 33 HA TYR 33 10.623 3.240 4.411 241 HB2 TYR 33 2HB TYR 33 11.981 4.991 3.170 242 HB3 TYR 33 3HB TYR 33 12.881 3.603 3.771 243 HD1 TYR 33 HD1 TYR 33 11.109 4.741 0.683 244 HD2 TYR 33 HD2 TYR 33 14.359 2.552 2.339 245 HE1 TYR 33 HE1 TYR 33 11.980 4.335 -1.581 246 HE2 TYR 33 HE2 TYR 33 15.240 2.140 0.080 247 HH TYR 33 HH TYR 33 14.052 3.776 -2.683 248 H ARG 34 H ARG 34 9.696 2.469 1.202 249 HA ARG 34 HA ARG 34 8.322 4.916 0.627 250 HB2 ARG 34 2HB ARG 34 7.361 3.654 -1.272 251 HB3 ARG 34 3HB ARG 34 9.114 3.535 -1.197 252 HG2 ARG 34 2HG ARG 34 8.924 1.320 -0.185 253 HG3 ARG 34 3HG ARG 34 7.165 1.440 -0.260 254 HD2 ARG 34 2HD ARG 34 7.599 0.246 -2.172 255 HD3 ARG 34 3HD ARG 34 7.609 1.894 -2.799 256 HE ARG 34 HE ARG 34 10.208 1.071 -1.989 257 HH11 ARG 34 1HH1 ARG 34 7.857 0.756 -4.537 258 HH12 ARG 34 2HH1 ARG 34 9.037 0.433 -5.764 259 HH21 ARG 34 1HH2 ARG 34 11.771 0.647 -3.595 260 HH22 ARG 34 2HH2 ARG 34 11.263 0.371 -5.227 261 H ASP 35 H ASP 35 7.520 1.894 2.167 262 HA ASP 35 HA ASP 35 4.683 2.601 2.266 263 HB2 ASP 35 2HB ASP 35 5.817 0.120 3.507 264 HB3 ASP 35 3HB ASP 35 4.231 0.381 2.786 265 H ALA 36 H ALA 36 6.517 4.220 3.721 266 HA ALA 36 HA ALA 36 6.861 3.608 6.396 267 HB1 ALA 36 1HB ALA 36 7.871 5.578 6.170 268 HB2 ALA 36 2HB ALA 36 6.887 6.004 4.770 269 HB3 ALA 36 3HB ALA 36 6.287 6.318 6.398 270 HA PRO 37 HA PRO 37 2.573 5.575 7.416 271 HB2 PRO 37 2HB PRO 37 0.944 6.189 5.333 272 HB3 PRO 37 3HB PRO 37 2.124 7.325 5.997 273 HG2 PRO 37 2HG PRO 37 2.329 5.583 3.571 274 HG3 PRO 37 3HG PRO 37 2.813 7.276 3.776 275 HD2 PRO 37 2HD PRO 37 4.587 5.233 3.863 276 HD3 PRO 37 3HD PRO 37 4.791 6.715 4.818 277 H LYS 38 H LYS 38 2.754 3.472 4.597 278 HA LYS 38 HA LYS 38 0.264 2.184 4.935 279 HB2 LYS 38 2HB LYS 38 2.781 1.585 3.449 280 HB3 LYS 38 3HB LYS 38 1.610 0.290 3.659 281 HG2 LYS 38 2HG LYS 38 0.550 2.869 2.694 282 HG3 LYS 38 3HG LYS 38 1.591 1.975 1.584 283 HD2 LYS 38 2HD LYS 38 -0.304 0.904 1.021 284 HD3 LYS 38 3HD LYS 38 -0.031 -0.003 2.510 285 HE2 LYS 38 2HE LYS 38 -2.312 0.783 2.450 286 HE3 LYS 38 3HE LYS 38 -1.431 1.628 3.722 287 HZ1 LYS 38 3HZ LYS 38 -2.943 2.933 2.076 288 HZ2 LYS 38 1HZ LYS 38 -1.595 2.848 1.058 289 HZ3 LYS 38 2HZ LYS 38 -1.465 3.589 2.572 290 H VAL 39 H VAL 39 3.552 1.117 5.815 291 HA VAL 39 HA VAL 39 2.708 -1.194 7.206 292 HB VAL 39 HB VAL 39 5.267 0.350 7.636 293 HG11 VAL 39 1HG1 VAL 39 6.002 -1.357 8.890 294 HG12 VAL 39 2HG1 VAL 39 4.292 -1.754 9.069 295 HG13 VAL 39 3HG1 VAL 39 5.264 -2.570 7.844 296 HG21 VAL 39 3HG2 VAL 39 5.664 -1.917 5.989 297 HG22 VAL 39 1HG2 VAL 39 4.325 -0.992 5.308 298 HG23 VAL 39 2HG2 VAL 39 5.885 -0.216 5.579 299 H ALA 40 H ALA 40 3.314 2.124 8.215 300 HA ALA 40 HA ALA 40 3.209 1.694 11.000 301 HB1 ALA 40 1HB ALA 40 2.508 4.187 9.455 302 HB2 ALA 40 2HB ALA 40 2.864 4.097 11.180 303 HB3 ALA 40 3HB ALA 40 4.123 3.732 10.000 304 H GLU 41 H GLU 41 0.704 2.641 8.663 305 HA GLU 41 HA GLU 41 -1.384 2.868 10.554 306 HB2 GLU 41 2HB GLU 41 -1.318 3.775 8.168 307 HB3 GLU 41 3HB GLU 41 -1.746 2.151 7.649 308 HG2 GLU 41 2HG GLU 41 -3.834 2.246 8.750 309 HG3 GLU 41 3HG GLU 41 -3.386 3.711 9.622 310 H MET 42 H MET 42 -0.380 0.218 8.417 311 HA MET 42 HA MET 42 -2.435 -1.569 9.147 312 HB2 MET 42 2HB MET 42 -0.540 -1.594 7.238 313 HB3 MET 42 3HB MET 42 0.206 -2.688 8.395 314 HG2 MET 42 2HG MET 42 -2.566 -3.003 7.269 315 HG3 MET 42 3HG MET 42 -1.132 -3.840 6.681 316 HE1 MET 42 3HE MET 42 0.452 -4.853 9.352 317 HE2 MET 42 1HE MET 42 -0.308 -6.442 9.259 318 HE3 MET 42 2HE MET 42 0.116 -5.579 7.780 319 H TRP 43 H TRP 43 0.924 -1.271 10.281 320 HA TRP 43 HA TRP 43 0.894 -3.368 12.117 321 HB2 TRP 43 2HB TRP 43 2.936 -2.161 11.404 322 HB3 TRP 43 3HB TRP 43 2.415 -0.761 12.337 323 HD1 TRP 43 HD1 TRP 43 3.703 -4.352 12.815 324 HE1 TRP 43 HE1 TRP 43 4.649 -4.564 15.199 325 HE3 TRP 43 HE3 TRP 43 2.309 0.212 14.649 326 HZ2 TRP 43 HZ2 TRP 43 4.785 -3.003 17.548 327 HZ3 TRP 43 HZ3 TRP 43 2.885 0.774 16.974 328 HH2 TRP 43 HH2 TRP 43 4.097 -0.801 18.392 329 H LYS 44 H LYS 44 0.198 0.082 12.649 330 HA LYS 44 HA LYS 44 -0.386 -0.098 15.381 331 HB2 LYS 44 2HB LYS 44 -0.007 2.041 14.285 332 HB3 LYS 44 3HB LYS 44 -1.447 1.823 13.300 333 HG2 LYS 44 2HG LYS 44 -1.871 1.694 16.209 334 HG3 LYS 44 3HG LYS 44 -1.373 3.263 15.572 335 HD2 LYS 44 2HD LYS 44 -3.251 2.660 13.771 336 HD3 LYS 44 3HD LYS 44 -3.877 1.736 15.138 337 HE2 LYS 44 2HE LYS 44 -4.886 3.715 15.595 338 HE3 LYS 44 3HE LYS 44 -3.348 4.029 16.396 339 HZ1 LYS 44 3HZ LYS 44 -2.747 5.534 14.850 340 HZ2 LYS 44 1HZ LYS 44 -4.417 5.669 14.611 341 HZ3 LYS 44 2HZ LYS 44 -3.488 4.710 13.573 342 H GLU 45 H GLU 45 -2.708 0.123 12.676 343 HA GLU 45 HA GLU 45 -5.020 -0.344 14.116 344 HB2 GLU 45 2HB GLU 45 -4.224 -0.768 11.274 345 HB3 GLU 45 3HB GLU 45 -5.739 -1.471 11.822 346 HG2 GLU 45 2HG GLU 45 -6.123 0.960 12.767 347 HG3 GLU 45 3HG GLU 45 -4.974 1.377 11.497 348 H TYR 46 H TYR 46 -2.622 -2.616 12.972 349 HA TYR 46 HA TYR 46 -4.199 -4.953 13.481 350 HB2 TYR 46 2HB TYR 46 -2.516 -5.221 11.848 351 HB3 TYR 46 3HB TYR 46 -1.286 -4.492 12.874 352 HD1 TYR 46 HD1 TYR 46 -0.218 -5.778 14.645 353 HD2 TYR 46 HD2 TYR 46 -3.163 -7.541 12.131 354 HE1 TYR 46 HE1 TYR 46 0.468 -8.011 15.417 355 HE2 TYR 46 HE2 TYR 46 -2.486 -9.778 12.896 356 HH TYR 46 HH TYR 46 -1.225 -10.930 14.331 357 H MET 47 H MET 47 -1.794 -3.095 15.250 358 HA MET 47 HA MET 47 -1.571 -4.982 17.397 359 HB2 MET 47 2HB MET 47 -0.715 -2.096 17.152 360 HB3 MET 47 3HB MET 47 -0.361 -3.109 18.545 361 HG2 MET 47 2HG MET 47 0.432 -4.051 15.837 362 HG3 MET 47 3HG MET 47 1.383 -2.793 16.623 363 HE1 MET 47 3HE MET 47 2.365 -2.833 18.674 364 HE2 MET 47 1HE MET 47 1.838 -3.954 19.930 365 HE3 MET 47 2HE MET 47 3.390 -4.195 19.129 366 H LEU 48 H LEU 48 -3.750 -2.467 16.572 367 HA LEU 48 HA LEU 48 -4.765 -2.278 19.313 368 HB2 LEU 48 2HB LEU 48 -5.533 -0.709 16.856 369 HB3 LEU 48 3HB LEU 48 -6.103 -0.411 18.497 370 HG LEU 48 HG LEU 48 -3.261 -0.094 17.532 371 HD11 LEU 48 1HD1 LEU 48 -3.600 2.217 17.551 372 HD12 LEU 48 2HD1 LEU 48 -5.113 2.081 18.445 373 HD13 LEU 48 3HD1 LEU 48 -5.038 1.574 16.758 374 HD21 LEU 48 3HD2 LEU 48 -2.803 -0.400 19.706 375 HD22 LEU 48 1HD2 LEU 48 -4.484 -0.184 20.194 376 HD23 LEU 48 2HD2 LEU 48 -3.463 1.224 19.905 377 H ARG 49 H ARG 49 -5.111 -4.676 17.684 378 HA ARG 49 HA ARG 49 -8.044 -4.668 17.399 379 HB2 ARG 49 2HB ARG 49 -5.878 -5.991 15.847 380 HB3 ARG 49 3HB ARG 49 -7.378 -6.883 16.061 381 HG2 ARG 49 2HG ARG 49 -8.638 -5.218 14.954 382 HG3 ARG 49 3HG ARG 49 -7.292 -4.077 14.995 383 HD2 ARG 49 2HD ARG 49 -6.221 -5.066 13.249 384 HD3 ARG 49 3HD ARG 49 -6.828 -6.673 13.646 385 HE ARG 49 HE ARG 49 -9.036 -5.315 12.817 386 HH11 ARG 49 1HH1 ARG 49 -5.900 -5.947 11.445 387 HH12 ARG 49 2HH1 ARG 49 -6.467 -5.923 9.808 388 HH21 ARG 49 1HH2 ARG 49 -9.795 -5.282 10.666 389 HH22 ARG 49 2HH2 ARG 49 -8.683 -5.544 9.366 390 HA PRO 50 HA PRO 50 -8.275 -7.493 20.766 391 HB2 PRO 50 2HB PRO 50 -10.667 -8.644 20.199 392 HB3 PRO 50 3HB PRO 50 -10.518 -7.000 20.829 393 HG2 PRO 50 2HG PRO 50 -10.933 -7.918 18.010 394 HG3 PRO 50 3HG PRO 50 -11.709 -6.580 18.877 395 HD2 PRO 50 2HD PRO 50 -9.670 -6.201 17.136 396 HD3 PRO 50 3HD PRO 50 -9.915 -5.168 18.558 397 H SER 51 H SER 51 -9.123 -8.800 17.564 398 HA SER 51 HA SER 51 -8.919 -11.495 18.067 399 HB2 SER 51 2HB SER 51 -7.883 -10.176 15.551 400 HB3 SER 51 3HB SER 51 -8.535 -11.806 15.716 401 HG SER 51 HG SER 51 -10.523 -11.028 15.762 402 H VAL 52 H VAL 52 -6.330 -9.177 17.490 403 HA VAL 52 HA VAL 52 -4.213 -11.023 17.262 404 HB VAL 52 HB VAL 52 -4.060 -8.202 18.331 405 HG11 VAL 52 1HG1 VAL 52 -1.973 -9.943 17.023 406 HG12 VAL 52 2HG1 VAL 52 -1.751 -8.271 17.542 407 HG13 VAL 52 3HG1 VAL 52 -2.051 -9.534 18.737 408 HG21 VAL 52 3HG2 VAL 52 -3.223 -8.255 15.668 409 HG22 VAL 52 1HG2 VAL 52 -4.715 -9.195 15.706 410 HG23 VAL 52 2HG2 VAL 52 -4.702 -7.537 16.306 411 H ASN 53 H ASN 53 -3.008 -12.084 18.729 412 HA ASN 53 HA ASN 53 -3.913 -12.098 21.475 413 HB2 ASN 53 2HB ASN 53 -1.592 -13.664 20.356 414 HB3 ASN 53 3HB ASN 53 -2.596 -14.052 21.749 415 HD21 ASN 53 1HD2 ASN 53 -4.262 -15.368 21.465 416 HD22 ASN 53 2HD2 ASN 53 -4.897 -15.867 19.938 417 H THR 54 H THR 54 -2.493 -11.848 23.296 418 HA THR 54 HA THR 54 -1.060 -9.498 23.361 419 HB THR 54 HB THR 54 0.184 -10.948 25.334 420 HG1 THR 54 HG1 THR 54 -2.459 -11.946 25.301 421 HG21 THR 54 3HG2 THR 54 -1.430 -9.950 26.838 422 HG22 THR 54 1HG2 THR 54 -2.563 -9.706 25.509 423 HG23 THR 54 2HG2 THR 54 -1.046 -8.808 25.551 424 H ARG 55 H ARG 55 0.166 -12.785 22.848 425 HA ARG 55 HA ARG 55 2.880 -12.325 22.895 426 HB2 ARG 55 2HB ARG 55 1.124 -14.264 21.481 427 HB3 ARG 55 3HB ARG 55 2.791 -14.140 20.933 428 HG2 ARG 55 2HG ARG 55 3.428 -14.452 23.390 429 HG3 ARG 55 3HG ARG 55 1.758 -14.978 23.617 430 HD2 ARG 55 2HD ARG 55 2.031 -16.841 22.247 431 HD3 ARG 55 3HD ARG 55 3.463 -16.173 21.465 432 HE ARG 55 HE ARG 55 3.377 -17.708 23.875 433 HH11 ARG 55 1HH1 ARG 55 5.129 -15.234 22.164 434 HH12 ARG 55 2HH1 ARG 55 6.631 -15.562 22.964 435 HH21 ARG 55 1HH2 ARG 55 5.348 -18.149 24.935 436 HH22 ARG 55 2HH2 ARG 55 6.754 -17.220 24.539 437 H ARG 56 H ARG 56 0.717 -12.067 20.077 438 HA ARG 56 HA ARG 56 2.599 -11.295 18.191 439 HB2 ARG 56 2HB ARG 56 -0.338 -10.740 18.483 440 HB3 ARG 56 3HB ARG 56 0.576 -10.049 17.149 441 HG2 ARG 56 2HG ARG 56 -0.206 -11.959 16.177 442 HG3 ARG 56 3HG ARG 56 1.342 -12.532 16.801 443 HD2 ARG 56 2HD ARG 56 -0.971 -12.724 18.629 444 HD3 ARG 56 3HD ARG 56 -0.987 -13.796 17.230 445 HE ARG 56 HE ARG 56 1.492 -13.804 18.696 446 HH11 ARG 56 1HH1 ARG 56 -1.684 -15.198 18.401 447 HH12 ARG 56 2HH1 ARG 56 -1.252 -16.675 19.197 448 HH21 ARG 56 1HH2 ARG 56 2.073 -15.745 19.745 449 HH22 ARG 56 2HH2 ARG 56 0.885 -16.985 19.962 450 H LYS 57 H LYS 57 1.038 -9.430 20.700 451 HA LYS 57 HA LYS 57 1.781 -6.865 19.707 452 HB2 LYS 57 2HB LYS 57 1.236 -7.515 22.597 453 HB3 LYS 57 3HB LYS 57 0.961 -5.998 21.752 454 HG2 LYS 57 2HG LYS 57 -0.561 -8.564 21.345 455 HG3 LYS 57 3HG LYS 57 -1.135 -7.123 22.189 456 HD2 LYS 57 2HD LYS 57 -0.478 -6.002 19.858 457 HD3 LYS 57 3HD LYS 57 -0.826 -7.635 19.285 458 HE2 LYS 57 2HE LYS 57 -2.658 -5.763 20.768 459 HE3 LYS 57 3HE LYS 57 -2.845 -6.386 19.130 460 HZ1 LYS 57 3HZ LYS 57 -3.365 -7.701 21.689 461 HZ2 LYS 57 1HZ LYS 57 -2.801 -8.663 20.416 462 HZ3 LYS 57 2HZ LYS 57 -4.232 -7.779 20.239 463 H LEU 58 H LEU 58 3.053 -8.853 22.381 464 HA LEU 58 HA LEU 58 5.168 -7.243 23.130 465 HB2 LEU 58 2HB LEU 58 4.481 -9.212 24.379 466 HB3 LEU 58 3HB LEU 58 5.041 -10.255 23.073 467 HG LEU 58 HG LEU 58 6.490 -9.983 25.201 468 HD11 LEU 58 1HD1 LEU 58 8.363 -10.597 23.990 469 HD12 LEU 58 2HD1 LEU 58 7.982 -9.513 22.652 470 HD13 LEU 58 3HD1 LEU 58 7.048 -10.991 22.882 471 HD21 LEU 58 3HD2 LEU 58 7.744 -8.103 25.491 472 HD22 LEU 58 1HD2 LEU 58 6.303 -7.375 24.781 473 HD23 LEU 58 2HD2 LEU 58 7.720 -7.685 23.777 474 H LEU 59 H LEU 59 5.059 -9.706 20.587 475 HA LEU 59 HA LEU 59 7.801 -9.418 19.858 476 HB2 LEU 59 2HB LEU 59 5.461 -10.592 18.365 477 HB3 LEU 59 3HB LEU 59 7.139 -10.701 17.838 478 HG LEU 59 HG LEU 59 6.098 -11.858 20.421 479 HD11 LEU 59 1HD1 LEU 59 5.043 -13.230 18.934 480 HD12 LEU 59 2HD1 LEU 59 6.616 -14.022 19.009 481 HD13 LEU 59 3HD1 LEU 59 6.231 -12.953 17.660 482 HD21 LEU 59 3HD2 LEU 59 8.418 -11.473 20.609 483 HD22 LEU 59 1HD2 LEU 59 8.722 -12.019 18.960 484 HD23 LEU 59 2HD2 LEU 59 8.247 -13.180 20.200 485 H GLY 60 H GLY 60 4.750 -8.197 18.506 486 HA2 GLY 60 2HA GLY 60 5.725 -6.916 16.252 487 HA3 GLY 60 3HA GLY 60 4.323 -6.382 17.167 488 H LEU 61 H LEU 61 5.530 -5.667 19.567 489 HA LEU 61 HA LEU 61 6.361 -3.055 19.040 490 HB2 LEU 61 2HB LEU 61 5.575 -4.388 21.245 491 HB3 LEU 61 3HB LEU 61 7.308 -4.280 21.552 492 HG LEU 61 HG LEU 61 5.382 -1.991 21.168 493 HD11 LEU 61 1HD1 LEU 61 5.547 -1.603 23.417 494 HD12 LEU 61 2HD1 LEU 61 7.116 -2.394 23.553 495 HD13 LEU 61 3HD1 LEU 61 5.652 -3.363 23.391 496 HD21 LEU 61 3HD2 LEU 61 7.431 -1.369 20.108 497 HD22 LEU 61 1HD2 LEU 61 8.382 -2.004 21.451 498 HD23 LEU 61 2HD2 LEU 61 7.374 -0.575 21.682 499 H TYR 62 H TYR 62 8.269 -5.932 19.862 500 HA TYR 62 HA TYR 62 10.778 -4.649 19.899 501 HB2 TYR 62 2HB TYR 62 9.806 -7.445 19.806 502 HB3 TYR 62 3HB TYR 62 11.446 -7.177 19.225 503 HD1 TYR 62 HD2 TYR 62 12.715 -5.359 20.903 504 HD2 TYR 62 HD1 TYR 62 9.721 -8.184 21.980 505 HE1 TYR 62 HE2 TYR 62 13.537 -5.338 23.221 506 HE2 TYR 62 HE1 TYR 62 10.534 -8.170 24.301 507 HH TYR 62 HH TYR 62 13.333 -6.202 25.255 508 H LEU 63 H LEU 63 8.862 -6.047 17.318 509 HA LEU 63 HA LEU 63 10.879 -6.097 15.338 510 HB2 LEU 63 2HB LEU 63 8.858 -7.373 15.070 511 HB3 LEU 63 3HB LEU 63 7.880 -5.908 15.120 512 HG LEU 63 HG LEU 63 8.350 -7.091 12.850 513 HD11 LEU 63 1HD1 LEU 63 7.717 -4.480 13.617 514 HD12 LEU 63 2HD1 LEU 63 7.437 -5.236 12.049 515 HD13 LEU 63 3HD1 LEU 63 8.918 -4.321 12.335 516 HD21 LEU 63 3HD2 LEU 63 10.725 -5.293 12.775 517 HD22 LEU 63 1HD2 LEU 63 10.344 -6.702 11.786 518 HD23 LEU 63 2HD2 LEU 63 10.899 -6.915 13.447 519 H MET 64 H MET 64 8.232 -3.765 15.878 520 HA MET 64 HA MET 64 9.077 -1.921 13.933 521 HB2 MET 64 2HB MET 64 7.420 -0.506 14.742 522 HB3 MET 64 3HB MET 64 6.824 -2.094 15.205 523 HG2 MET 64 2HG MET 64 6.509 -1.071 17.181 524 HG3 MET 64 3HG MET 64 8.202 -1.501 17.411 525 HE1 MET 64 3HE MET 64 6.955 2.136 18.770 526 HE2 MET 64 1HE MET 64 6.538 0.429 18.922 527 HE3 MET 64 2HE MET 64 8.140 0.990 19.397 528 H ASN 65 H ASN 65 10.040 -2.437 17.244 529 HA ASN 65 HA ASN 65 11.317 0.063 17.653 530 HB2 ASN 65 2HB ASN 65 10.614 -1.664 19.416 531 HB3 ASN 65 3HB ASN 65 12.103 -2.512 19.009 532 HD21 ASN 65 1HD2 ASN 65 12.821 -2.183 21.145 533 HD22 ASN 65 2HD2 ASN 65 13.444 -0.653 21.651 534 H HIS 66 H HIS 66 12.524 -3.127 16.660 535 HA HIS 66 HA HIS 66 15.232 -2.333 16.416 536 HB2 HIS 66 2HB HIS 66 14.106 -4.722 16.504 537 HB3 HIS 66 3HB HIS 66 14.119 -4.552 14.751 538 HD1 HIS 66 HD1 HIS 66 16.797 -3.634 17.295 539 HD2 HIS 66 HD2 HIS 66 16.233 -6.040 13.955 540 HE1 HIS 66 HE1 HIS 66 19.042 -4.663 16.821 541 H VAL 67 H VAL 67 12.496 -2.288 14.228 542 HA VAL 67 HA VAL 67 13.949 -1.809 11.842 543 HB VAL 67 HB VAL 67 11.092 -1.097 12.523 544 HG11 VAL 67 1HG1 VAL 67 10.931 -1.277 9.938 545 HG12 VAL 67 2HG1 VAL 67 11.535 0.212 10.666 546 HG13 VAL 67 3HG1 VAL 67 12.665 -0.958 9.983 547 HG21 VAL 67 3HG2 VAL 67 12.322 -3.598 12.151 548 HG22 VAL 67 1HG2 VAL 67 10.597 -3.245 12.251 549 HG23 VAL 67 2HG2 VAL 67 11.403 -3.271 10.682 550 H VAL 68 H VAL 68 12.080 0.419 13.913 551 HA VAL 68 HA VAL 68 12.852 2.769 12.577 552 HB VAL 68 HB VAL 68 12.071 3.976 14.554 553 HG11 VAL 68 1HG1 VAL 68 10.089 3.625 13.607 554 HG12 VAL 68 2HG1 VAL 68 10.553 1.998 13.103 555 HG13 VAL 68 3HG1 VAL 68 9.875 2.266 14.710 556 HG21 VAL 68 3HG2 VAL 68 11.133 2.518 16.447 557 HG22 VAL 68 1HG2 VAL 68 12.189 1.256 15.813 558 HG23 VAL 68 2HG2 VAL 68 12.877 2.775 16.390 559 H GLN 69 H GLN 69 14.337 0.947 15.180 560 HA GLN 69 HA GLN 69 16.228 2.932 15.928 561 HB2 GLN 69 2HB GLN 69 15.905 0.006 16.434 562 HB3 GLN 69 3HB GLN 69 17.448 0.763 16.804 563 HG2 GLN 69 2HG GLN 69 16.264 2.385 18.241 564 HG3 GLN 69 3HG GLN 69 14.761 1.517 17.929 565 HE21 GLN 69 1HE2 GLN 69 14.373 0.840 19.978 566 HE22 GLN 69 2HE2 GLN 69 15.379 -0.275 20.831 567 H GLN 70 H GLN 70 16.175 0.395 13.521 568 HA GLN 70 HA GLN 70 18.970 0.529 12.919 569 HB2 GLN 70 2HB GLN 70 16.587 -0.813 11.727 570 HB3 GLN 70 3HB GLN 70 18.027 -0.637 10.733 571 HG2 GLN 70 2HG GLN 70 18.171 -1.820 13.479 572 HG3 GLN 70 3HG GLN 70 17.726 -2.793 12.079 573 HE21 GLN 70 1HE2 GLN 70 19.261 -2.692 10.231 574 HE22 GLN 70 2HE2 GLN 70 20.949 -2.648 10.595 575 H ALA 71 H ALA 71 16.049 2.014 11.639 576 HA ALA 71 HA ALA 71 17.001 3.081 9.269 577 HB1 ALA 71 1HB ALA 71 14.744 3.383 9.515 578 HB2 ALA 71 2HB ALA 71 14.884 3.899 11.197 579 HB3 ALA 71 3HB ALA 71 15.324 5.005 9.896 580 H LYS 72 H LYS 72 17.668 4.032 12.541 581 HA LYS 72 HA LYS 72 18.486 6.659 12.237 582 HB2 LYS 72 2HB LYS 72 19.251 4.445 14.089 583 HB3 LYS 72 3HB LYS 72 20.221 5.913 14.096 584 HG2 LYS 72 2HG LYS 72 17.822 7.037 14.274 585 HG3 LYS 72 3HG LYS 72 17.433 5.471 14.991 586 HD2 LYS 72 2HD LYS 72 18.080 6.724 16.832 587 HD3 LYS 72 3HD LYS 72 19.565 5.869 16.411 588 HE2 LYS 72 2HE LYS 72 20.257 8.071 16.766 589 HE3 LYS 72 3HE LYS 72 20.132 7.939 15.012 590 HZ1 LYS 72 3HZ LYS 72 17.723 8.818 16.356 591 HZ2 LYS 72 1HZ LYS 72 18.445 9.393 14.938 592 HZ3 LYS 72 2HZ LYS 72 19.022 9.898 16.446 593 H GLY 73 H GLY 73 20.185 3.681 11.450 594 HA2 GLY 73 2HA GLY 73 22.663 5.039 10.853 595 HA3 GLY 73 3HA GLY 73 22.313 3.337 10.589 596 H GLN 74 H GLN 74 19.770 4.350 9.155 597 HA GLN 74 HA GLN 74 21.106 4.763 6.571 598 HB2 GLN 74 2HB GLN 74 18.302 3.771 7.107 599 HB3 GLN 74 3HB GLN 74 19.099 3.850 5.541 600 HG2 GLN 74 2HG GLN 74 20.269 1.965 5.890 601 HG3 GLN 74 3HG GLN 74 20.519 2.309 7.601 602 HE21 GLN 74 1HE2 GLN 74 18.827 1.812 9.075 603 HE22 GLN 74 2HE2 GLN 74 17.666 0.589 8.700 604 H LYS 75 H LYS 75 19.040 5.695 5.056 605 HA LYS 75 HA LYS 75 18.647 8.379 6.180 606 HB2 LYS 75 2HB LYS 75 18.632 7.375 3.332 607 HB3 LYS 75 3HB LYS 75 18.191 9.016 3.785 608 HG2 LYS 75 2HG LYS 75 20.345 9.595 4.325 609 HG3 LYS 75 3HG LYS 75 20.824 7.929 4.659 610 HD2 LYS 75 2HD LYS 75 20.015 8.607 1.882 611 HD3 LYS 75 3HD LYS 75 21.576 9.203 2.452 612 HE2 LYS 75 2HE LYS 75 22.055 7.129 1.475 613 HE3 LYS 75 3HE LYS 75 22.019 6.806 3.208 614 HZ1 LYS 75 3HZ LYS 75 20.184 5.538 3.025 615 HZ2 LYS 75 1HZ LYS 75 20.705 5.348 1.426 616 HZ3 LYS 75 2HZ LYS 75 19.502 6.477 1.794 617 H ILE 76 H ILE 76 16.906 6.836 7.345 618 HA ILE 76 HA ILE 76 14.398 7.121 5.822 619 HB ILE 76 HB ILE 76 14.385 5.356 8.184 620 HG12 ILE 76 2HG1 ILE 76 15.873 4.623 5.655 621 HG13 ILE 76 3HG1 ILE 76 16.546 4.731 7.278 622 HG21 ILE 76 1HG2 ILE 76 12.588 5.871 6.329 623 HG22 ILE 76 2HG2 ILE 76 13.440 4.589 5.471 624 HG23 ILE 76 3HG2 ILE 76 12.723 4.268 7.050 625 HD11 ILE 76 3HD1 ILE 76 15.309 2.514 5.975 626 HD12 ILE 76 1HD1 ILE 76 16.134 2.578 7.532 627 HD13 ILE 76 2HD1 ILE 76 14.408 2.926 7.433 628 H ILE 77 H ILE 77 13.215 8.773 6.496 629 HA ILE 77 HA ILE 77 13.256 9.457 9.363 630 HB ILE 77 HB ILE 77 12.736 11.339 7.059 631 HG12 ILE 77 2HG1 ILE 77 15.091 10.611 7.169 632 HG13 ILE 77 3HG1 ILE 77 14.914 12.313 7.582 633 HG21 ILE 77 1HG2 ILE 77 11.531 12.037 9.004 634 HG22 ILE 77 2HG2 ILE 77 12.941 11.783 10.031 635 HG23 ILE 77 3HG2 ILE 77 12.944 13.078 8.835 636 HD11 ILE 77 3HD1 ILE 77 16.035 11.931 9.443 637 HD12 ILE 77 1HD1 ILE 77 14.726 10.884 9.991 638 HD13 ILE 77 2HD1 ILE 77 16.085 10.203 9.096 639 H GLN 78 H GLN 78 11.352 8.586 6.649 640 HA GLN 78 HA GLN 78 8.851 9.586 7.602 641 HB2 GLN 78 2HB GLN 78 9.521 7.491 5.532 642 HB3 GLN 78 3HB GLN 78 7.889 8.058 5.862 643 HG2 GLN 78 2HG GLN 78 8.578 9.267 3.992 644 HG3 GLN 78 3HG GLN 78 8.759 10.386 5.342 645 HE21 GLN 78 1HE2 GLN 78 10.760 7.768 4.024 646 HE22 GLN 78 2HE2 GLN 78 12.189 8.721 3.840 647 H PHE 79 H PHE 79 10.565 6.516 7.824 648 HA PHE 79 HA PHE 79 8.451 5.026 8.963 649 HB2 PHE 79 2HB PHE 79 11.227 4.613 8.322 650 HB3 PHE 79 3HB PHE 79 10.886 3.976 9.927 651 HD1 PHE 79 HD2 PHE 79 8.204 2.947 9.724 652 HD2 PHE 79 HD1 PHE 79 11.356 2.840 6.865 653 HE1 PHE 79 HE2 PHE 79 7.215 0.933 8.714 654 HE2 PHE 79 HE1 PHE 79 10.371 0.827 5.850 655 HZ PHE 79 HZ PHE 79 8.299 -0.130 6.775 656 H GLN 80 H GLN 80 11.101 6.893 10.384 657 HA GLN 80 HA GLN 80 10.692 6.215 13.061 658 HB2 GLN 80 2HB GLN 80 11.803 8.696 11.762 659 HB3 GLN 80 3HB GLN 80 11.747 8.498 13.509 660 HG2 GLN 80 2HG GLN 80 13.022 6.320 13.120 661 HG3 GLN 80 3HG GLN 80 13.326 6.938 11.498 662 HE21 GLN 80 1HE2 GLN 80 14.907 6.478 14.129 663 HE22 GLN 80 2HE2 GLN 80 15.860 7.914 14.254 664 H ASP 81 H ASP 81 9.319 8.870 11.146 665 HA ASP 81 HA ASP 81 7.756 9.899 13.305 666 HB2 ASP 81 2HB ASP 81 8.367 11.418 11.562 667 HB3 ASP 81 3HB ASP 81 7.683 10.368 10.323 668 H SER 82 H SER 82 7.063 7.857 10.492 669 HA SER 82 HA SER 82 4.304 7.640 10.799 670 HB2 SER 82 2HB SER 82 4.422 5.719 9.381 671 HB3 SER 82 3HB SER 82 5.700 6.813 8.853 672 HG SER 82 HG SER 82 5.969 4.495 10.464 673 H PHE 83 H PHE 83 6.899 5.670 12.200 674 HA PHE 83 HA PHE 83 5.068 3.984 13.637 675 HB2 PHE 83 2HB PHE 83 8.018 4.210 13.364 676 HB3 PHE 83 3HB PHE 83 7.409 3.458 14.835 677 HD1 PHE 83 HD1 PHE 83 5.165 1.903 14.039 678 HD2 PHE 83 HD2 PHE 83 8.799 2.599 11.934 679 HE1 PHE 83 HE1 PHE 83 4.869 -0.221 12.833 680 HE2 PHE 83 HE2 PHE 83 8.508 0.477 10.724 681 HZ PHE 83 HZ PHE 83 6.540 -0.936 11.171 682 H GLY 84 H GLY 84 6.708 6.970 14.223 683 HA2 GLY 84 2HA GLY 84 6.542 6.865 17.089 684 HA3 GLY 84 3HA GLY 84 6.938 8.275 16.117 685 H LYS 85 H LYS 85 4.565 8.234 14.511 686 HA LYS 85 HA LYS 85 2.826 9.669 16.260 687 HB2 LYS 85 2HB LYS 85 1.554 10.184 14.338 688 HB3 LYS 85 3HB LYS 85 3.223 10.123 13.787 689 HG2 LYS 85 2HG LYS 85 2.428 8.824 12.158 690 HG3 LYS 85 3HG LYS 85 2.415 7.553 13.384 691 HD2 LYS 85 2HD LYS 85 0.272 7.551 12.346 692 HD3 LYS 85 3HD LYS 85 0.072 8.260 13.950 693 HE2 LYS 85 2HE LYS 85 -0.179 10.414 13.098 694 HE3 LYS 85 3HE LYS 85 0.562 9.993 11.555 695 HZ1 LYS 85 3HZ LYS 85 -1.540 9.868 10.848 696 HZ2 LYS 85 1HZ LYS 85 -2.181 9.742 12.409 697 HZ3 LYS 85 2HZ LYS 85 -1.581 8.367 11.627 698 H VAL 86 H VAL 86 3.153 6.394 15.494 699 HA VAL 86 HA VAL 86 0.419 5.838 16.450 700 HB VAL 86 HB VAL 86 0.562 3.669 15.286 701 HG11 VAL 86 1HG1 VAL 86 -0.398 5.744 14.230 702 HG12 VAL 86 2HG1 VAL 86 1.128 5.913 13.360 703 HG13 VAL 86 3HG1 VAL 86 0.118 4.489 13.105 704 HG21 VAL 86 3HG2 VAL 86 2.623 4.129 13.430 705 HG22 VAL 86 1HG2 VAL 86 3.313 4.426 15.026 706 HG23 VAL 86 2HG2 VAL 86 2.546 2.878 14.671 707 H ALA 87 H ALA 87 3.594 5.813 17.336 708 HA ALA 87 HA ALA 87 3.775 3.316 18.700 709 HB1 ALA 87 1HB ALA 87 5.406 5.758 18.478 710 HB2 ALA 87 2HB ALA 87 5.601 4.837 19.970 711 HB3 ALA 87 3HB ALA 87 5.882 4.061 18.412 712 H ALA 88 H ALA 88 3.398 6.652 19.919 713 HA ALA 88 HA ALA 88 2.992 6.058 22.589 714 HB1 ALA 88 1HB ALA 88 3.088 8.341 21.181 715 HB2 ALA 88 2HB ALA 88 1.355 8.259 21.501 716 HB3 ALA 88 3HB ALA 88 2.500 8.248 22.842 717 H GLU 89 H GLU 89 0.781 5.796 19.901 718 HA GLU 89 HA GLU 89 -1.569 5.495 21.522 719 HB2 GLU 89 2HB GLU 89 -1.343 6.253 19.024 720 HB3 GLU 89 3HB GLU 89 -1.391 4.527 18.693 721 HG2 GLU 89 2HG GLU 89 -3.593 5.547 18.494 722 HG3 GLU 89 3HG GLU 89 -3.546 4.350 19.787 723 H VAL 90 H VAL 90 0.228 3.239 19.418 724 HA VAL 90 HA VAL 90 -1.110 0.918 20.204 725 HB VAL 90 HB VAL 90 1.744 1.194 19.252 726 HG11 VAL 90 1HG1 VAL 90 1.156 -1.219 18.431 727 HG12 VAL 90 2HG1 VAL 90 1.712 -0.951 20.084 728 HG13 VAL 90 3HG1 VAL 90 -0.007 -1.167 19.755 729 HG21 VAL 90 3HG2 VAL 90 -0.576 1.815 17.908 730 HG22 VAL 90 1HG2 VAL 90 0.974 1.416 17.166 731 HG23 VAL 90 2HG2 VAL 90 -0.245 0.162 17.391 732 H LEU 91 H LEU 91 2.089 2.069 21.293 733 HA LEU 91 HA LEU 91 2.557 0.153 23.233 734 HB2 LEU 91 2HB LEU 91 3.409 3.003 22.928 735 HB3 LEU 91 3HB LEU 91 3.852 2.098 24.374 736 HG LEU 91 HG LEU 91 4.837 0.376 22.718 737 HD11 LEU 91 1HD1 LEU 91 3.811 1.361 20.711 738 HD12 LEU 91 2HD1 LEU 91 5.569 1.284 20.598 739 HD13 LEU 91 3HD1 LEU 91 4.775 2.819 20.951 740 HD21 LEU 91 3HD2 LEU 91 5.901 2.964 23.654 741 HD22 LEU 91 1HD2 LEU 91 6.832 2.151 22.395 742 HD23 LEU 91 2HD2 LEU 91 6.498 1.324 23.917 743 H GLY 92 H GLY 92 0.643 3.103 23.422 744 HA2 GLY 92 2HA GLY 92 0.215 2.933 26.252 745 HA3 GLY 92 3HA GLY 92 -0.640 3.981 25.130 746 H ARG 93 H ARG 93 -1.426 1.704 23.422 747 HA ARG 93 HA ARG 93 -3.833 1.022 24.851 748 HB2 ARG 93 2HB ARG 93 -2.830 0.722 22.067 749 HB3 ARG 93 3HB ARG 93 -4.077 -0.398 22.600 750 HG2 ARG 93 2HG ARG 93 -4.295 2.602 22.722 751 HG3 ARG 93 3HG ARG 93 -4.977 1.585 21.451 752 HD2 ARG 93 2HD ARG 93 -6.161 0.345 23.362 753 HD3 ARG 93 3HD ARG 93 -5.741 1.745 24.348 754 HE ARG 93 HE ARG 93 -7.791 1.593 22.365 755 HH11 ARG 93 1HH1 ARG 93 -5.531 3.735 23.921 756 HH12 ARG 93 2HH1 ARG 93 -6.474 5.157 23.624 757 HH21 ARG 93 1HH2 ARG 93 -9.042 3.458 21.966 758 HH22 ARG 93 2HH2 ARG 93 -8.472 4.999 22.512 759 H ILE 94 H ILE 94 -0.891 -0.604 23.838 760 HA ILE 94 HA ILE 94 -1.843 -3.209 24.653 761 HB ILE 94 HB ILE 94 0.326 -4.042 24.028 762 HG12 ILE 94 2HG1 ILE 94 1.135 -1.140 23.744 763 HG13 ILE 94 3HG1 ILE 94 1.701 -2.253 24.985 764 HG21 ILE 94 1HG2 ILE 94 0.198 -2.226 21.794 765 HG22 ILE 94 2HG2 ILE 94 -0.217 -3.937 21.876 766 HG23 ILE 94 3HG2 ILE 94 -1.417 -2.718 22.304 767 HD11 ILE 94 3HD1 ILE 94 3.436 -2.197 23.452 768 HD12 ILE 94 1HD1 ILE 94 2.562 -3.668 23.027 769 HD13 ILE 94 2HD1 ILE 94 2.344 -2.205 22.067 770 H ASN 95 H ASN 95 -0.058 -0.576 26.032 771 HA ASN 95 HA ASN 95 1.303 -1.931 28.079 772 HB2 ASN 95 2HB ASN 95 1.977 0.290 27.707 773 HB3 ASN 95 3HB ASN 95 0.325 0.897 27.772 774 HD21 ASN 95 1HD2 ASN 95 -0.455 1.616 29.650 775 HD22 ASN 95 2HD2 ASN 95 0.368 1.518 31.166 776 H GLN 96 H GLN 96 -2.009 -0.857 27.789 777 HA GLN 96 HA GLN 96 -2.607 -1.360 30.575 778 HB2 GLN 96 2HB GLN 96 -4.944 -0.823 29.898 779 HB3 GLN 96 3HB GLN 96 -3.789 0.445 29.510 780 HG2 GLN 96 2HG GLN 96 -3.757 -0.233 27.197 781 HG3 GLN 96 3HG GLN 96 -4.810 -1.601 27.554 782 HE21 GLN 96 1HE2 GLN 96 -4.812 1.873 28.297 783 HE22 GLN 96 2HE2 GLN 96 -6.433 2.157 27.772 784 H GLU 97 H GLU 97 -3.071 -2.937 27.466 785 HA GLU 97 HA GLU 97 -4.738 -5.024 28.505 786 HB2 GLU 97 2HB GLU 97 -3.233 -4.746 25.901 787 HB3 GLU 97 3HB GLU 97 -4.290 -6.099 26.278 788 HG2 GLU 97 2HG GLU 97 -5.327 -3.309 26.465 789 HG3 GLU 97 3HG GLU 97 -5.182 -4.095 24.894 790 H PHE 98 H PHE 98 -1.358 -4.444 28.344 791 HA PHE 98 HA PHE 98 -0.517 -7.177 28.461 792 HB2 PHE 98 2HB PHE 98 0.803 -4.516 28.704 793 HB3 PHE 98 3HB PHE 98 1.645 -5.913 29.367 794 HD1 PHE 98 HD2 PHE 98 -0.538 -6.130 26.428 795 HD2 PHE 98 HD1 PHE 98 3.471 -5.815 27.824 796 HE1 PHE 98 HE2 PHE 98 0.285 -6.696 24.180 797 HE2 PHE 98 HE1 PHE 98 4.300 -6.381 25.577 798 HZ PHE 98 HZ PHE 98 2.707 -6.823 23.752 799 HA PRO 99 HA PRO 99 -1.178 -7.958 32.744 800 HB2 PRO 99 2HB PRO 99 0.596 -9.985 33.077 801 HB3 PRO 99 3HB PRO 99 -0.936 -10.181 32.218 802 HG2 PRO 99 2HG PRO 99 1.814 -9.755 31.113 803 HG3 PRO 99 3HG PRO 99 0.547 -10.867 30.563 804 HD2 PRO 99 2HD PRO 99 1.040 -8.502 29.341 805 HD3 PRO 99 3HD PRO 99 -0.584 -9.215 29.422 806 H ARG 100 H ARG 100 0.005 -8.081 34.815 807 HA ARG 100 HA ARG 100 1.742 -5.929 35.173 808 HB2 ARG 100 2HB ARG 100 1.025 -8.298 36.872 809 HB3 ARG 100 3HB ARG 100 2.251 -7.157 37.408 810 HG2 ARG 100 2HG ARG 100 0.468 -5.357 36.981 811 HG3 ARG 100 3HG ARG 100 -0.673 -6.704 36.964 812 HD2 ARG 100 2HD ARG 100 1.249 -6.120 39.212 813 HD3 ARG 100 3HD ARG 100 -0.436 -5.604 39.183 814 HE ARG 100 HE ARG 100 0.560 -8.242 39.734 815 HH11 ARG 100 1HH1 ARG 100 -2.167 -6.388 38.617 816 HH12 ARG 100 2HH1 ARG 100 -3.331 -7.597 39.047 817 HH21 ARG 100 1HH2 ARG 100 -0.962 -9.841 40.304 818 HH22 ARG 100 2HH2 ARG 100 -2.645 -9.561 40.008 819 H ASP 101 H ASP 101 2.375 -9.181 34.220 820 HA ASP 101 HA ASP 101 5.144 -9.214 34.959 821 HB2 ASP 101 2HB ASP 101 3.365 -10.981 33.315 822 HB3 ASP 101 3HB ASP 101 5.112 -11.191 33.244 823 H LEU 102 H LEU 102 3.397 -8.823 31.884 824 HA LEU 102 HA LEU 102 5.749 -8.345 30.355 825 HB2 LEU 102 2HB LEU 102 2.841 -7.791 29.809 826 HB3 LEU 102 3HB LEU 102 4.124 -7.520 28.632 827 HG LEU 102 HG LEU 102 3.237 -10.163 29.781 828 HD11 LEU 102 1HD1 LEU 102 2.322 -8.666 27.599 829 HD12 LEU 102 2HD1 LEU 102 1.958 -10.349 27.980 830 HD13 LEU 102 3HD1 LEU 102 3.311 -9.959 26.920 831 HD21 LEU 102 3HD2 LEU 102 5.718 -9.352 28.404 832 HD22 LEU 102 1HD2 LEU 102 4.944 -10.824 27.817 833 HD23 LEU 102 2HD2 LEU 102 5.416 -10.693 29.511 834 H LYS 103 H LYS 103 3.643 -6.353 32.257 835 HA LYS 103 HA LYS 103 4.011 -3.841 31.192 836 HB2 LYS 103 2HB LYS 103 3.675 -4.820 34.007 837 HB3 LYS 103 3HB LYS 103 3.946 -3.110 33.698 838 HG2 LYS 103 2HG LYS 103 1.952 -3.716 31.924 839 HG3 LYS 103 3HG LYS 103 1.555 -4.732 33.312 840 HD2 LYS 103 2HD LYS 103 0.471 -2.798 33.895 841 HD3 LYS 103 3HD LYS 103 2.041 -2.515 34.649 842 HE2 LYS 103 2HE LYS 103 1.640 -1.629 31.837 843 HE3 LYS 103 3HE LYS 103 0.879 -0.694 33.123 844 HZ1 LYS 103 3HZ LYS 103 3.560 -0.660 32.294 845 HZ2 LYS 103 1HZ LYS 103 3.509 -1.212 33.893 846 HZ3 LYS 103 2HZ LYS 103 2.817 0.278 33.491 847 H LYS 104 H LYS 104 6.164 -5.633 33.357 848 HA LYS 104 HA LYS 104 8.072 -3.547 33.638 849 HB2 LYS 104 2HB LYS 104 8.591 -6.505 33.937 850 HB3 LYS 104 3HB LYS 104 9.472 -5.182 34.690 851 HG2 LYS 104 2HG LYS 104 6.588 -5.842 35.247 852 HG3 LYS 104 3HG LYS 104 7.951 -6.380 36.231 853 HD2 LYS 104 2HD LYS 104 7.427 -3.477 35.637 854 HD3 LYS 104 3HD LYS 104 6.721 -4.305 37.027 855 HE2 LYS 104 2HE LYS 104 9.127 -4.994 37.588 856 HE3 LYS 104 3HE LYS 104 9.612 -3.751 36.436 857 HZ1 LYS 104 3HZ LYS 104 7.697 -3.034 38.534 858 HZ2 LYS 104 1HZ LYS 104 8.877 -2.084 37.781 859 HZ3 LYS 104 2HZ LYS 104 9.324 -3.208 38.963 860 H LYS 105 H LYS 105 7.640 -6.168 31.352 861 HA LYS 105 HA LYS 105 10.207 -5.941 30.135 862 HB2 LYS 105 2HB LYS 105 7.697 -7.057 28.882 863 HB3 LYS 105 3HB LYS 105 9.362 -7.431 28.454 864 HG2 LYS 105 2HG LYS 105 8.117 -8.080 31.116 865 HG3 LYS 105 3HG LYS 105 8.217 -9.205 29.760 866 HD2 LYS 105 2HD LYS 105 10.682 -8.943 29.785 867 HD3 LYS 105 3HD LYS 105 10.528 -7.923 31.218 868 HE2 LYS 105 2HE LYS 105 10.904 -9.917 32.245 869 HE3 LYS 105 3HE LYS 105 9.152 -10.021 32.087 870 HZ1 LYS 105 3HZ LYS 105 9.393 -11.834 30.866 871 HZ2 LYS 105 1HZ LYS 105 11.072 -11.759 31.058 872 HZ3 LYS 105 2HZ LYS 105 10.337 -10.999 29.737 873 H LEU 106 H LEU 106 7.036 -4.543 29.500 874 HA LEU 106 HA LEU 106 7.878 -3.260 27.065 875 HB2 LEU 106 2HB LEU 106 5.570 -3.948 27.346 876 HB3 LEU 106 3HB LEU 106 5.410 -2.908 28.760 877 HG LEU 106 HG LEU 106 6.136 -1.651 26.161 878 HD11 LEU 106 1HD1 LEU 106 3.360 -2.582 26.877 879 HD12 LEU 106 2HD1 LEU 106 4.336 -3.135 25.517 880 HD13 LEU 106 3HD1 LEU 106 3.757 -1.470 25.567 881 HD21 LEU 106 3HD2 LEU 106 5.617 -0.719 28.681 882 HD22 LEU 106 1HD2 LEU 106 4.067 -0.497 27.870 883 HD23 LEU 106 2HD2 LEU 106 5.525 0.234 27.199 884 H SER 107 H SER 107 7.351 -2.305 30.423 885 HA SER 107 HA SER 107 7.570 0.442 30.206 886 HB2 SER 107 2HB SER 107 6.999 -0.362 32.335 887 HB3 SER 107 3HB SER 107 8.357 -1.486 32.377 888 HG SER 107 HG SER 107 8.389 1.323 32.690 889 H ARG 108 H ARG 108 10.173 -1.948 30.562 890 HA ARG 108 HA ARG 108 12.289 -0.074 30.583 891 HB2 ARG 108 2HB ARG 108 13.725 -2.039 30.059 892 HB3 ARG 108 3HB ARG 108 12.651 -2.300 31.426 893 HG2 ARG 108 2HG ARG 108 11.112 -3.530 29.945 894 HG3 ARG 108 3HG ARG 108 12.263 -3.325 28.623 895 HD2 ARG 108 2HD ARG 108 12.415 -5.533 29.755 896 HD3 ARG 108 3HD ARG 108 13.918 -4.611 29.786 897 HE ARG 108 HE ARG 108 12.311 -4.213 32.124 898 HH11 ARG 108 1HH1 ARG 108 14.657 -6.293 30.612 899 HH12 ARG 108 2HH1 ARG 108 15.258 -6.922 32.111 900 HH21 ARG 108 1HH2 ARG 108 13.093 -5.033 34.103 901 HH22 ARG 108 2HH2 ARG 108 14.366 -6.206 34.096 902 H VAL 109 H VAL 109 10.764 -1.939 27.990 903 HA VAL 109 HA VAL 109 12.483 -1.343 25.900 904 HB VAL 109 HB VAL 109 9.486 -1.704 25.842 905 HG11 VAL 109 1HG1 VAL 109 10.474 -2.442 23.372 906 HG12 VAL 109 2HG1 VAL 109 9.582 -0.964 23.739 907 HG13 VAL 109 3HG1 VAL 109 11.346 -0.955 23.741 908 HG21 VAL 109 3HG2 VAL 109 9.843 -3.919 25.813 909 HG22 VAL 109 1HG2 VAL 109 11.237 -3.776 24.743 910 HG23 VAL 109 2HG2 VAL 109 11.426 -3.517 26.477 911 H VAL 110 H VAL 110 9.626 0.477 26.990 912 HA VAL 110 HA VAL 110 9.775 2.527 25.081 913 HB VAL 110 HB VAL 110 8.731 2.814 27.899 914 HG11 VAL 110 1HG1 VAL 110 7.888 4.203 25.360 915 HG12 VAL 110 2HG1 VAL 110 7.321 4.536 26.997 916 HG13 VAL 110 3HG1 VAL 110 8.991 4.888 26.552 917 HG21 VAL 110 3HG2 VAL 110 7.795 1.165 25.705 918 HG22 VAL 110 1HG2 VAL 110 7.274 1.205 27.389 919 HG23 VAL 110 2HG2 VAL 110 6.578 2.331 26.223 920 H ASN 111 H ASN 111 11.380 2.094 28.173 921 HA ASN 111 HA ASN 111 12.377 4.723 28.445 922 HB2 ASN 111 2HB ASN 111 13.082 2.063 29.625 923 HB3 ASN 111 3HB ASN 111 14.172 3.425 29.867 924 HD21 ASN 111 1HD2 ASN 111 10.642 3.314 29.704 925 HD22 ASN 111 2HD2 ASN 111 10.374 3.952 31.287 926 H ILE 112 H ILE 112 13.200 2.202 26.326 927 HA ILE 112 HA ILE 112 15.959 2.931 25.955 928 HB ILE 112 HB ILE 112 14.166 1.196 24.252 929 HG12 ILE 112 2HG1 ILE 112 16.328 0.308 26.159 930 HG13 ILE 112 3HG1 ILE 112 14.649 0.484 26.659 931 HG21 ILE 112 1HG2 ILE 112 17.163 1.532 24.219 932 HG22 ILE 112 2HG2 ILE 112 16.251 0.354 23.276 933 HG23 ILE 112 3HG2 ILE 112 16.038 2.079 22.976 934 HD11 ILE 112 3HD1 ILE 112 14.175 -1.077 24.635 935 HD12 ILE 112 1HD1 ILE 112 15.878 -1.500 24.810 936 HD13 ILE 112 2HD1 ILE 112 14.764 -1.749 26.155 937 H LEU 113 H LEU 113 12.888 3.721 24.481 938 HA LEU 113 HA LEU 113 13.724 4.791 22.060 939 HB2 LEU 113 2HB LEU 113 11.473 5.646 23.869 940 HB3 LEU 113 3HB LEU 113 11.686 6.222 22.217 941 HG LEU 113 HG LEU 113 11.192 3.353 23.013 942 HD11 LEU 113 1HD1 LEU 113 9.229 4.697 23.427 943 HD12 LEU 113 2HD1 LEU 113 8.979 3.708 21.989 944 HD13 LEU 113 3HD1 LEU 113 9.351 5.424 21.825 945 HD21 LEU 113 3HD2 LEU 113 10.586 3.752 20.328 946 HD22 LEU 113 1HD2 LEU 113 11.975 2.886 20.985 947 HD23 LEU 113 2HD2 LEU 113 12.117 4.595 20.574 948 H LYS 114 H LYS 114 13.715 6.214 25.277 949 HA LYS 114 HA LYS 114 14.402 8.846 24.429 950 HB2 LYS 114 2HB LYS 114 14.464 9.402 26.674 951 HB3 LYS 114 3HB LYS 114 13.382 8.015 26.686 952 HG2 LYS 114 2HG LYS 114 15.587 6.677 27.119 953 HG3 LYS 114 3HG LYS 114 16.183 8.245 27.669 954 HD2 LYS 114 2HD LYS 114 13.550 7.254 28.666 955 HD3 LYS 114 3HD LYS 114 15.036 6.586 29.346 956 HE2 LYS 114 2HE LYS 114 14.558 9.545 29.148 957 HE3 LYS 114 3HE LYS 114 14.000 8.600 30.527 958 HZ1 LYS 114 3HZ LYS 114 16.279 7.911 30.933 959 HZ2 LYS 114 1HZ LYS 114 16.158 9.599 30.950 960 HZ3 LYS 114 2HZ LYS 114 16.816 8.811 29.606 961 H GLU 115 H GLU 115 16.210 5.967 25.210 962 HA GLU 115 HA GLU 115 18.742 7.266 25.478 963 HB2 GLU 115 2HB GLU 115 17.919 4.394 25.096 964 HB3 GLU 115 3HB GLU 115 19.608 4.879 25.159 965 HG2 GLU 115 2HG GLU 115 17.681 5.585 27.343 966 HG3 GLU 115 3HG GLU 115 18.528 4.039 27.307 967 H ARG 116 H ARG 116 17.170 5.414 22.886 968 HA ARG 116 HA ARG 116 19.337 5.850 21.049 969 HB2 ARG 116 2HB ARG 116 16.549 4.915 20.375 970 HB3 ARG 116 3HB ARG 116 18.026 4.639 19.462 971 HG2 ARG 116 2HG ARG 116 17.343 3.477 22.154 972 HG3 ARG 116 3HG ARG 116 17.363 2.623 20.610 973 HD2 ARG 116 2HD ARG 116 19.825 3.400 20.483 974 HD3 ARG 116 3HD ARG 116 19.659 3.682 22.215 975 HE ARG 116 HE ARG 116 18.756 1.139 21.871 976 HH11 ARG 116 1HH1 ARG 116 21.690 2.819 21.039 977 HH12 ARG 116 2HH1 ARG 116 22.687 1.408 21.163 978 HH21 ARG 116 1HH2 ARG 116 20.059 -0.726 22.038 979 HH22 ARG 116 2HH2 ARG 116 21.759 -0.608 21.731 980 H ASN 117 H ASN 117 16.606 7.622 22.045 981 HA ASN 117 HA ASN 117 15.643 9.561 21.345 982 HB2 ASN 117 2HB ASN 117 18.350 9.822 20.028 983 HB3 ASN 117 3HB ASN 117 17.152 11.113 20.036 984 HD21 ASN 117 1HD2 ASN 117 16.729 12.215 21.921 985 HD22 ASN 117 2HD2 ASN 117 17.725 12.080 23.326 986 H ILE 118 H ILE 118 14.770 7.401 19.944 987 HA ILE 118 HA ILE 118 15.001 7.652 17.130 988 HB ILE 118 HB ILE 118 12.705 6.389 18.624 989 HG12 ILE 118 2HG1 ILE 118 14.829 5.513 19.483 990 HG13 ILE 118 3HG1 ILE 118 13.990 4.294 18.531 991 HG21 ILE 118 1HG2 ILE 118 12.135 6.486 16.366 992 HG22 ILE 118 2HG2 ILE 118 13.786 6.166 15.838 993 HG23 ILE 118 3HG2 ILE 118 12.823 4.873 16.553 994 HD11 ILE 118 3HD1 ILE 118 16.422 4.374 18.127 995 HD12 ILE 118 1HD1 ILE 118 15.462 4.657 16.675 996 HD13 ILE 118 2HD1 ILE 118 16.233 6.012 17.501 997 H PHE 119 H PHE 119 12.072 8.171 19.096 998 HA PHE 119 HA PHE 119 10.985 9.925 17.075 999 HB2 PHE 119 2HB PHE 119 9.804 9.380 19.796 1000 HB3 PHE 119 3HB PHE 119 8.967 9.882 18.330 1001 HD1 PHE 119 HD1 PHE 119 9.551 8.141 16.281 1002 HD2 PHE 119 HD2 PHE 119 9.363 7.234 20.436 1003 HE1 PHE 119 HE1 PHE 119 9.080 5.787 15.743 1004 HE2 PHE 119 HE2 PHE 119 8.893 4.879 19.904 1005 HZ PHE 119 HZ PHE 119 8.751 4.152 17.555 1006 H SER 120 H SER 120 10.038 12.049 17.713 1007 HA SER 120 HA SER 120 12.071 13.656 18.949 1008 HB2 SER 120 2HB SER 120 10.938 15.503 18.091 1009 HB3 SER 120 3HB SER 120 10.506 14.239 16.939 1010 HG SER 120 HG SER 120 8.541 14.820 17.420 1011 H LYS 121 H LYS 121 11.391 15.400 20.542 1012 HA LYS 121 HA LYS 121 10.661 14.254 22.962 1013 HB2 LYS 121 2HB LYS 121 11.760 16.585 22.329 1014 HB3 LYS 121 3HB LYS 121 10.106 17.152 22.521 1015 HG2 LYS 121 2HG LYS 121 10.094 16.795 24.768 1016 HG3 LYS 121 3HG LYS 121 11.243 15.459 24.675 1017 HD2 LYS 121 2HD LYS 121 12.437 17.198 25.702 1018 HD3 LYS 121 3HD LYS 121 12.972 17.225 24.020 1019 HE2 LYS 121 2HE LYS 121 10.699 18.943 24.955 1020 HE3 LYS 121 3HE LYS 121 12.373 19.456 25.164 1021 HZ1 LYS 121 3HZ LYS 121 12.589 18.984 22.685 1022 HZ2 LYS 121 1HZ LYS 121 11.731 20.369 23.140 1023 HZ3 LYS 121 2HZ LYS 121 10.898 18.982 22.650 1024 H GLN 122 H GLN 122 8.682 16.037 20.632 1025 HA GLN 122 HA GLN 122 6.332 16.211 22.124 1026 HB2 GLN 122 2HB GLN 122 7.018 17.151 19.744 1027 HB3 GLN 122 3HB GLN 122 6.166 15.718 19.186 1028 HG2 GLN 122 2HG GLN 122 4.161 16.431 20.355 1029 HG3 GLN 122 3HG GLN 122 5.010 17.847 20.972 1030 HE21 GLN 122 1HE2 GLN 122 4.125 19.532 19.996 1031 HE22 GLN 122 2HE2 GLN 122 3.893 19.703 18.292 1032 H VAL 123 H VAL 123 7.573 13.605 20.097 1033 HA VAL 123 HA VAL 123 5.221 11.991 20.303 1034 HB VAL 123 HB VAL 123 8.010 11.077 19.595 1035 HG11 VAL 123 1HG1 VAL 123 5.272 9.909 19.301 1036 HG12 VAL 123 2HG1 VAL 123 6.555 9.468 18.172 1037 HG13 VAL 123 3HG1 VAL 123 6.752 9.157 19.898 1038 HG21 VAL 123 3HG2 VAL 123 7.738 12.676 17.987 1039 HG22 VAL 123 1HG2 VAL 123 6.894 11.337 17.209 1040 HG23 VAL 123 2HG2 VAL 123 5.978 12.592 18.042 1041 H VAL 124 H VAL 124 8.471 11.751 21.750 1042 HA VAL 124 HA VAL 124 8.013 9.539 23.368 1043 HB VAL 124 HB VAL 124 9.797 11.899 23.986 1044 HG11 VAL 124 1HG1 VAL 124 11.073 9.855 25.092 1045 HG12 VAL 124 2HG1 VAL 124 9.843 10.770 25.966 1046 HG13 VAL 124 3HG1 VAL 124 9.432 9.224 25.222 1047 HG21 VAL 124 3HG2 VAL 124 11.056 11.245 22.278 1048 HG22 VAL 124 1HG2 VAL 124 11.252 9.668 23.044 1049 HG23 VAL 124 2HG2 VAL 124 9.925 9.941 21.915 1050 H ASN 125 H ASN 125 7.580 12.986 24.118 1051 HA ASN 125 HA ASN 125 6.823 12.739 26.782 1052 HB2 ASN 125 2HB ASN 125 6.336 14.763 24.645 1053 HB3 ASN 125 3HB ASN 125 5.390 14.879 26.125 1054 HD21 ASN 125 1HD2 ASN 125 7.462 16.640 25.022 1055 HD22 ASN 125 2HD2 ASN 125 8.662 16.779 26.257 1056 H ASP 126 H ASP 126 5.075 12.005 23.889 1057 HA ASP 126 HA ASP 126 2.465 12.035 25.067 1058 HB2 ASP 126 2HB ASP 126 3.080 12.249 22.572 1059 HB3 ASP 126 3HB ASP 126 3.221 10.493 22.595 1060 H ILE 127 H ILE 127 4.757 9.469 24.171 1061 HA ILE 127 HA ILE 127 3.257 7.263 24.915 1062 HB ILE 127 HB ILE 127 6.245 7.618 25.183 1063 HG12 ILE 127 2HG1 ILE 127 4.958 6.109 22.958 1064 HG13 ILE 127 3HG1 ILE 127 4.897 7.867 22.898 1065 HG21 ILE 127 1HG2 ILE 127 6.164 5.075 24.859 1066 HG22 ILE 127 2HG2 ILE 127 5.744 5.720 26.445 1067 HG23 ILE 127 3HG2 ILE 127 4.472 5.206 25.337 1068 HD11 ILE 127 3HD1 ILE 127 6.822 7.520 21.759 1069 HD12 ILE 127 1HD1 ILE 127 7.480 7.603 23.393 1070 HD13 ILE 127 2HD1 ILE 127 7.205 6.036 22.631 1071 H GLU 128 H GLU 128 5.490 9.182 26.913 1072 HA GLU 128 HA GLU 128 5.302 7.734 29.270 1073 HB2 GLU 128 2HB GLU 128 5.600 10.724 28.935 1074 HB3 GLU 128 3HB GLU 128 5.925 9.836 30.417 1075 HG2 GLU 128 2HG GLU 128 7.365 9.422 27.808 1076 HG3 GLU 128 3HG GLU 128 7.960 10.391 29.154 1077 H ARG 129 H ARG 129 3.262 10.409 28.134 1078 HA ARG 129 HA ARG 129 1.597 10.514 30.409 1079 HB2 ARG 129 2HB ARG 129 1.005 11.322 27.555 1080 HB3 ARG 129 3HB ARG 129 0.044 11.772 28.957 1081 HG2 ARG 129 2HG ARG 129 2.938 12.439 28.968 1082 HG3 ARG 129 3HG ARG 129 1.857 13.388 27.945 1083 HD2 ARG 129 2HD ARG 129 1.817 14.580 29.922 1084 HD3 ARG 129 3HD ARG 129 0.398 13.547 30.088 1085 HE ARG 129 HE ARG 129 1.413 12.504 31.852 1086 HH11 ARG 129 1HH1 ARG 129 3.810 14.269 30.046 1087 HH12 ARG 129 2HH1 ARG 129 5.072 13.994 31.200 1088 HH21 ARG 129 1HH2 ARG 129 3.066 12.134 33.379 1089 HH22 ARG 129 2HH2 ARG 129 4.648 12.778 33.096 1090 H SER 130 H SER 130 1.365 8.734 27.365 1091 HA SER 130 HA SER 130 -1.216 7.724 27.639 1092 HB2 SER 130 2HB SER 130 0.576 7.529 25.696 1093 HB3 SER 130 3HB SER 130 0.912 5.980 26.469 1094 HG SER 130 HG SER 130 -1.144 6.669 24.878 1095 H LEU 131 H LEU 131 1.867 6.253 28.645 1096 HA LEU 131 HA LEU 131 0.752 3.956 29.816 1097 HB2 LEU 131 2HB LEU 131 3.307 5.347 30.599 1098 HB3 LEU 131 3HB LEU 131 2.889 3.662 30.902 1099 HG LEU 131 HG LEU 131 3.295 4.851 28.160 1100 HD11 LEU 131 1HD1 LEU 131 5.458 3.893 28.136 1101 HD12 LEU 131 2HD1 LEU 131 5.186 3.063 29.667 1102 HD13 LEU 131 3HD1 LEU 131 5.339 4.819 29.632 1103 HD21 LEU 131 3HD2 LEU 131 3.208 2.626 27.355 1104 HD22 LEU 131 1HD2 LEU 131 1.808 2.829 28.408 1105 HD23 LEU 131 2HD2 LEU 131 3.228 1.959 28.988 1106 H ALA 132 H ALA 132 1.365 7.177 31.077 1107 HA ALA 132 HA ALA 132 0.884 6.563 33.806 1108 HB1 ALA 132 1HB ALA 132 0.740 9.179 32.315 1109 HB2 ALA 132 2HB ALA 132 0.633 9.018 34.069 1110 HB3 ALA 132 3HB ALA 132 2.110 8.546 33.229 1111 H ALA 133 H ALA 133 -1.178 7.323 31.102 1112 HA ALA 133 HA ALA 133 -3.496 8.050 32.551 1113 HB1 ALA 133 1HB ALA 133 -3.401 6.789 29.817 1114 HB2 ALA 133 2HB ALA 133 -4.682 7.798 30.490 1115 HB3 ALA 133 3HB ALA 133 -3.105 8.500 30.129 1116 H ALA 134 H ALA 134 -2.131 4.973 31.598 1117 HA ALA 134 HA ALA 134 -4.505 3.540 32.525 1118 HB1 ALA 134 1HB ALA 134 -3.265 1.523 31.700 1119 HB2 ALA 134 2HB ALA 134 -3.640 2.724 30.463 1120 HB3 ALA 134 3HB ALA 134 -2.007 2.615 31.121 1121 H LEU 135 H LEU 135 -2.609 5.018 34.311 1122 HA LEU 135 HA LEU 135 -1.260 2.946 35.810 1123 HB2 LEU 135 2HB LEU 135 -0.417 5.306 35.509 1124 HB3 LEU 135 3HB LEU 135 -1.693 5.814 36.614 1125 HG LEU 135 HG LEU 135 -0.609 4.127 38.256 1126 HD11 LEU 135 1HD1 LEU 135 0.882 3.043 36.699 1127 HD12 LEU 135 2HD1 LEU 135 1.822 3.893 37.924 1128 HD13 LEU 135 3HD1 LEU 135 1.648 4.584 36.311 1129 HD21 LEU 135 3HD2 LEU 135 -0.280 6.148 39.144 1130 HD22 LEU 135 1HD2 LEU 135 0.014 6.886 37.570 1131 HD23 LEU 135 2HD2 LEU 135 1.328 6.075 38.422 1132 H GLU 136 H GLU 136 -4.313 4.549 35.846 1133 HA GLU 136 HA GLU 136 -4.949 3.259 38.419 1134 HB2 GLU 136 2HB GLU 136 -6.771 5.048 38.560 1135 HB3 GLU 136 3HB GLU 136 -5.114 5.564 38.840 1136 HG2 GLU 136 2HG GLU 136 -5.002 6.353 36.505 1137 HG3 GLU 136 3HG GLU 136 -6.698 5.918 36.307 1138 H HIS 137 H HIS 137 -6.835 2.098 38.580 1139 HA HIS 137 HA HIS 137 -7.962 1.179 36.085 1140 HB2 HIS 137 2HB HIS 137 -8.405 0.387 38.963 1141 HB3 HIS 137 3HB HIS 137 -9.312 -0.321 37.630 1142 HD1 HIS 137 HD1 HIS 137 -6.904 -1.462 39.676 1143 HD2 HIS 137 HD2 HIS 137 -6.895 -0.936 35.555 1144 HE1 HIS 137 HE1 HIS 137 -5.125 -3.011 38.805 1145 H HIS 138 H HIS 138 -9.134 2.846 38.991 1146 HA HIS 138 HA HIS 138 -11.584 3.544 37.513 1147 HB2 HIS 138 2HB HIS 138 -11.053 3.090 40.433 1148 HB3 HIS 138 3HB HIS 138 -12.413 4.085 39.922 1149 HD1 HIS 138 HD1 HIS 138 -14.034 2.300 40.927 1150 HD2 HIS 138 HD2 HIS 138 -11.686 0.940 37.781 1151 HE1 HIS 138 HE1 HIS 138 -15.075 0.129 40.201
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